============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. HIS 15 0.900 38.557 5.969 41.909 -99.200 -91.000 TYR 20 0.840 41.602 15.449 44.017 -99.200 -91.000 PHE 24 1.000 45.327 19.471 43.031 -99.200 -91.000 TYR 26 0.840 52.541 17.284 35.036 -99.200 -91.000 TRP 28 1.040 54.958 20.426 45.837 -99.200 -91.000 TRP6 28 1.020 54.929 22.774 46.149 -99.200 -91.000 PHE 36 1.000 53.515 12.442 38.724 -99.200 -91.000 TYR 48 0.840 48.199 -7.984 37.894 -99.200 -91.000 TRP 62 1.040 42.237 10.642 26.941 -99.200 -91.000 TRP6 62 1.020 40.544 10.809 28.588 -99.200 -91.000 TYR 67 0.840 54.638 7.895 33.522 -99.200 -91.000 HIS 77 0.900 67.323 6.807 42.350 -99.200 -91.000 TYR 80 0.840 61.221 3.608 38.781 -99.200 -91.000 TYR 89 0.840 58.662 -3.714 49.278 -99.200 -91.000 TYR 92 0.840 65.407 -1.321 53.392 -99.200 -91.000 TRP 101 1.040 62.708 1.314 66.174 -99.200 -91.000 TRP6 101 1.020 60.909 2.719 66.788 -99.200 -91.000 TYR 103 0.840 55.341 -7.386 67.942 -99.200 -91.000 PHE 106 1.000 56.150 -16.889 65.618 -99.200 -91.000 TYR 122 0.840 48.820 -9.112 68.484 -99.200 -91.000 HIS 144 0.900 57.083 -15.467 60.940 -99.200 -91.000 TYR 168 0.840 47.884 11.067 65.082 -99.200 -91.000 TYR 184 0.840 53.256 -11.076 47.635 -99.200 -91.000 TYR 187 0.840 50.570 3.247 51.336 -99.200 -91.000 HIS 188 0.900 50.090 1.115 57.427 -99.200 -91.000 HIS 196 0.900 65.620 6.422 52.739 -99.200 -91.000 TRP 209 1.040 45.581 6.840 51.372 -99.200 -91.000 TRP6 209 1.020 44.710 4.717 51.954 -99.200 -91.000 HIS 216 0.900 52.340 5.767 56.332 -99.200 -91.000 TYR 220 0.840 59.742 8.092 55.914 -99.200 -91.000 PHE 223 1.000 63.070 0.997 57.913 -99.200 -91.000 TRP 225 1.040 66.151 5.459 56.058 -99.200 -91.000 TRP6 225 1.020 64.710 3.880 55.042 -99.200 -91.000 PHE 230 1.000 54.344 12.077 55.600 -99.200 -91.000 TYR 231 0.840 52.752 19.224 50.609 -99.200 -91.000 HIS 232 0.900 47.842 13.043 54.496 -99.200 -91.000 HIS 250 0.900 29.074 5.598 35.190 -99.200 -91.000 TRP 255 1.040 31.039 5.571 31.876 -99.200 -91.000 TRP6 255 1.020 30.365 7.793 32.336 -99.200 -91.000 TYR 256 0.840 34.209 10.505 34.201 -99.200 -91.000 PHE 261 1.000 31.932 13.457 30.258 -99.200 -91.000 TYR 269 0.840 34.316 19.253 37.638 -99.200 -91.000 PHE 275 1.000 44.886 26.462 41.978 -99.200 -91.000 PHE 284 1.000 42.290 26.487 35.595 -99.200 -91.000 PHE 289 1.000 46.496 22.733 38.776 -99.200 -91.000 PHE 293 1.000 49.747 23.292 43.459 -99.200 -91.000 TRP 295 1.040 51.326 22.715 48.334 -99.200 -91.000 TRP6 295 1.020 49.903 20.903 47.817 -99.200 -91.000 PHE 305 1.000 34.260 14.093 39.220 -99.200 -91.000 TRP 312 1.040 28.737 25.200 31.836 -99.200 -91.000 TRP6 312 1.020 30.714 26.144 32.730 -99.200 -91.000 TYR 317 0.840 38.311 22.899 28.027 -99.200 -91.000 PHE 334 1.000 33.741 9.493 21.001 -99.200 -91.000 TRP 342 1.040 34.215 12.032 7.388 -99.200 -91.000 TRP6 342 1.020 34.663 10.468 9.108 -99.200 -91.000 TYR 347 0.840 27.218 16.077 4.942 -99.200 -91.000 PHE 359 1.000 28.552 18.116 19.604 -99.200 -91.000 PHE 365 1.000 28.468 15.237 14.997 -99.200 -91.000 TYR 371 0.840 19.091 14.263 11.881 -99.200 -91.000 PHE 373 1.000 27.521 12.614 10.005 -99.200 -91.000 TYR 377 0.840 16.534 8.926 9.230 -99.200 -91.000 TYR 398 0.840 6.966 14.586 -3.658 -99.200 -91.000 TRP 407 1.040 16.968 22.159 -1.638 -99.200 -91.000 TRP6 407 1.020 14.772 21.283 -1.761 -99.200 -91.000 PHE 419 1.000 1.533 23.693 1.665 -99.200 -91.000 PHE 448 1.000 12.372 26.733 7.037 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1n75A1 MET 1 HA -0.06 -0.04 0.20 -0.75 4.52 3.87 1n75A1 MET 1 HB2 -0.04 -0.03 0.04 -0.04 2.15 2.08 1n75A1 MET 1 HB3 -0.03 -0.03 -0.01 -0.04 2.03 1.92 1n75A1 MET 1 HG2 -0.05 0.11 -0.23 -0.04 2.63 2.41 1n75A1 MET 1 HG3 -0.07 0.08 -0.02 -0.04 2.56 2.52 1n75A1 MET 1 HE3 -0.04 -0.00 0.03 -0.04 2.10 2.05 1n75A1 VAL 2 H -0.11 0.16 0.08 -0.55 8.24 7.82 1n75A1 VAL 2 HA -0.02 0.07 0.58 -0.75 4.13 4.01 1n75A1 VAL 2 HB -0.27 0.00 0.14 -0.04 2.12 1.95 1n75A1 VAL 2 HG13 -0.22 -0.01 -0.24 -0.04 0.97 0.46 1n75A1 VAL 2 HG23 -0.25 0.01 0.01 -0.04 0.95 0.68 1n75A1 VAL 3 H 0.03 0.11 0.28 -0.55 8.24 8.12 1n75A1 VAL 3 HA 0.04 0.26 1.02 -0.75 4.13 4.69 1n75A1 VAL 3 HB 0.01 0.04 0.22 -0.04 2.12 2.36 1n75A1 VAL 3 HG13 0.05 0.00 -0.20 -0.04 0.97 0.78 1n75A1 VAL 3 HG23 0.00 0.03 -0.17 -0.04 0.95 0.77 1n75A1 THR 4 H 0.15 0.69 0.42 -0.55 8.28 8.99 1n75A1 THR 4 HA 0.18 0.28 1.11 -0.75 4.39 5.21 1n75A1 THR 4 HB 0.25 -0.06 0.26 -0.04 4.32 4.73 1n75A1 THR 4 HG23 0.26 0.02 -0.06 -0.04 1.22 1.40 1n75A1 ARG 5 H 0.24 0.28 0.33 -0.55 8.46 8.77 1n75A1 ARG 5 HA 0.13 0.19 0.80 -0.75 4.34 4.71 1n75A1 ARG 5 HB2 0.05 0.01 0.06 -0.04 1.90 1.98 1n75A1 ARG 5 HB3 0.07 0.08 -0.13 -0.04 1.80 1.78 1n75A1 ARG 5 HG2 0.07 0.03 -0.18 -0.04 1.67 1.55 1n75A1 ARG 5 HG3 0.11 -0.01 -0.14 -0.04 1.67 1.59 1n75A1 ARG 5 HD2 0.14 -0.02 -0.16 -0.04 3.22 3.14 1n75A1 ARG 5 HD3 0.10 -0.06 -0.46 -0.04 3.22 2.76 1n75A1 ILE 6 H 0.00 0.57 0.43 -0.55 8.25 8.70 1n75A1 ILE 6 HA 0.17 0.14 0.74 -0.75 4.18 4.48 1n75A1 ILE 6 HB 0.14 -0.09 0.07 -0.04 1.89 1.97 1n75A1 ILE 6 HG12 -0.16 0.11 0.04 -0.04 1.49 1.44 1n75A1 ILE 6 HG13 -0.07 -0.08 0.10 -0.04 1.21 1.13 1n75A1 ILE 6 HG23 0.46 0.01 -0.11 -0.04 0.93 1.25 1n75A1 ILE 6 HD13 0.06 -0.02 -0.06 -0.04 0.88 0.83 1n75A1 ALA 7 H 0.08 0.13 0.03 -0.55 8.40 8.09 1n75A1 ALA 7 HA 0.03 0.57 1.02 -0.75 4.34 5.21 1n75A1 ALA 7 HB3 0.07 -0.02 0.04 -0.04 1.41 1.47 1n75A1 PRO 8 HA 0.04 0.04 0.63 -0.51 4.44 4.64 1n75A1 PRO 8 HB2 0.04 0.03 -0.06 -0.04 2.28 2.25 1n75A1 PRO 8 HB3 0.06 0.00 0.06 -0.04 2.02 2.10 1n75A1 PRO 8 HG2 0.01 -0.03 -0.01 -0.04 2.03 1.96 1n75A1 PRO 8 HG3 0.00 0.06 -0.05 -0.04 2.03 2.00 1n75A1 PRO 8 HD2 -0.00 0.33 0.02 -0.04 3.68 3.98 1n75A1 PRO 8 HD3 0.02 0.05 -0.26 -0.04 3.65 3.42 1n75A1 SER 9 H 0.03 0.12 0.23 -0.55 8.46 8.30 1n75A1 SER 9 HA 0.04 0.35 0.80 -0.75 4.49 4.92 1n75A1 SER 9 HB2 0.03 -0.09 0.18 -0.04 3.95 4.02 1n75A1 SER 9 HB3 0.03 0.05 0.07 -0.04 3.93 4.03 1n75A1 PRO 10 HA -0.02 0.12 0.46 -0.51 4.44 4.49 1n75A1 PRO 10 HB2 -0.18 0.02 0.25 -0.04 2.28 2.34 1n75A1 PRO 10 HB3 -0.04 -0.08 -0.06 -0.04 2.02 1.80 1n75A1 PRO 10 HG2 0.14 0.02 0.01 -0.04 2.03 2.16 1n75A1 PRO 10 HG3 0.05 0.05 -0.05 -0.04 2.03 2.04 1n75A1 PRO 10 HD2 0.09 0.10 0.04 -0.04 3.68 3.88 1n75A1 PRO 10 HD3 0.06 0.22 0.02 -0.04 3.65 3.92 1n75A1 THR 11 H 0.00 0.38 -0.14 -0.55 8.28 7.97 1n75A1 THR 11 HA -0.05 0.40 0.91 -0.75 4.39 4.91 1n75A1 THR 11 HB 0.01 0.06 0.14 -0.04 4.32 4.49 1n75A1 THR 11 HG23 0.03 -0.04 -0.26 -0.04 1.22 0.91 1n75A1 GLY 12 H -0.02 0.11 -0.09 -0.55 8.43 7.88 1n75A1 GLY 12 HA2 -0.01 0.12 0.30 -0.51 4.01 3.90 1n75A1 GLY 12 HA3 0.02 0.03 0.48 -0.51 4.01 4.03 1n75A1 ASP 13 H 0.04 0.12 0.11 -0.55 8.40 8.11 1n75A1 ASP 13 HA 0.03 0.19 0.56 -0.75 4.63 4.65 1n75A1 ASP 13 HB2 0.04 -0.06 0.01 -0.04 2.71 2.67 1n75A1 ASP 13 HB3 0.06 -0.06 0.10 -0.04 2.70 2.76 1n75A1 PRO 14 HA 0.10 0.07 0.49 -0.51 4.44 4.59 1n75A1 PRO 14 HB2 0.12 -0.12 0.12 -0.04 2.28 2.36 1n75A1 PRO 14 HB3 0.10 0.11 0.08 -0.04 2.02 2.27 1n75A1 PRO 14 HG2 0.05 0.12 -0.02 -0.04 2.03 2.13 1n75A1 PRO 14 HG3 0.05 0.07 -0.23 -0.04 2.03 1.88 1n75A1 PRO 14 HD2 0.06 -0.14 0.23 -0.04 3.68 3.79 1n75A1 PRO 14 HD3 0.04 0.22 0.23 -0.04 3.65 4.10 1n75A1 HIS 15 H 0.20 0.14 0.26 -0.55 8.41 8.47 1n75A1 HIS 15 HA 0.08 0.23 0.60 -0.75 4.63 4.79 1n75A1 HIS 15 HB2 0.05 0.16 0.17 -0.04 3.26 3.60 1n75A1 HIS 15 HB3 0.07 -0.14 0.16 -0.04 3.20 3.24 1n75A1 HIS 15 HD2 0.03 0.07 0.03 -0.04 6.97 7.05 1n75A1 HIS 15 HE1 -0.04 0.13 -0.02 -0.04 7.75 7.78 1n75A1 VAL 16 H -0.12 0.54 0.35 -0.55 8.24 8.46 1n75A1 VAL 16 HA 0.08 0.08 0.47 -0.75 4.13 4.01 1n75A1 VAL 16 HB -0.05 0.10 0.09 -0.04 2.12 2.21 1n75A1 VAL 16 HG13 -0.28 0.00 0.01 -0.04 0.97 0.66 1n75A1 VAL 16 HG23 -0.28 0.02 -0.02 -0.04 0.95 0.63 1n75A1 GLY 17 H 0.91 0.07 -0.17 -0.55 8.43 8.69 1n75A1 GLY 17 HA2 0.18 0.16 0.45 -0.51 4.01 4.28 1n75A1 GLY 17 HA3 0.11 0.06 0.29 -0.51 4.01 3.96 1n75A1 THR 18 H 0.21 0.16 -0.37 -0.55 8.28 7.73 1n75A1 THR 18 HA 0.13 0.07 0.48 -0.75 4.39 4.33 1n75A1 THR 18 HB 0.15 0.21 0.15 -0.04 4.32 4.79 1n75A1 THR 18 HG23 0.11 0.01 -0.05 -0.04 1.22 1.24 1n75A1 ALA 19 H 0.16 0.26 -0.16 -0.55 8.40 8.12 1n75A1 ALA 19 HA 0.13 0.06 0.40 -0.75 4.34 4.18 1n75A1 ALA 19 HB3 0.12 0.04 0.06 -0.04 1.41 1.58 1n75A1 TYR 20 H 0.25 0.45 -0.18 -0.55 8.29 8.25 1n75A1 TYR 20 HA 0.15 0.08 0.37 -0.75 4.56 4.40 1n75A1 TYR 20 HB2 0.04 -0.00 0.11 -0.04 3.06 3.17 1n75A1 TYR 20 HB3 0.06 0.00 0.22 -0.04 2.98 3.22 1n75A1 TYR 20 HD2 0.14 -0.02 0.04 -0.04 7.15 7.27 1n75A1 TYR 20 HE2 -0.03 0.02 -0.05 -0.04 6.85 6.75 1n75A1 ILE 21 H 0.16 0.46 -0.12 -0.55 8.25 8.20 1n75A1 ILE 21 HA -0.13 0.07 0.36 -0.75 4.18 3.73 1n75A1 ILE 21 HB 0.12 0.00 0.18 -0.04 1.89 2.15 1n75A1 ILE 21 HG12 0.13 0.22 0.14 -0.04 1.49 1.94 1n75A1 ILE 21 HG13 0.14 -0.16 0.07 -0.04 1.21 1.21 1n75A1 ILE 21 HG23 0.12 -0.01 -0.02 -0.04 0.93 0.97 1n75A1 ILE 21 HD13 -0.12 -0.00 -0.14 -0.04 0.88 0.58 1n75A1 ALA 22 H 0.14 0.52 -0.23 -0.55 8.40 8.29 1n75A1 ALA 22 HA 0.21 0.02 0.38 -0.75 4.34 4.19 1n75A1 ALA 22 HB3 0.22 0.00 0.08 -0.04 1.41 1.67 1n75A1 LEU 23 H 0.09 0.64 -0.20 -0.55 8.37 8.35 1n75A1 LEU 23 HA -0.07 -0.02 0.35 -0.75 4.35 3.86 1n75A1 LEU 23 HB2 -0.02 -0.00 0.08 -0.04 1.64 1.66 1n75A1 LEU 23 HB3 0.10 0.19 0.13 -0.04 1.64 2.02 1n75A1 LEU 23 HG -0.36 0.01 -0.30 -0.04 1.64 0.95 1n75A1 LEU 23 HD13 -0.17 -0.03 -0.03 -0.04 0.93 0.65 1n75A1 LEU 23 HD23 -0.26 0.01 -0.18 -0.04 0.89 0.42 1n75A1 PHE 24 H 0.26 0.41 -0.20 -0.55 8.34 8.26 1n75A1 PHE 24 HA -0.17 0.06 0.45 -0.75 4.62 4.21 1n75A1 PHE 24 HB2 -0.06 0.06 0.08 -0.04 3.15 3.19 1n75A1 PHE 24 HB3 -0.02 -0.03 -0.02 -0.04 3.06 2.95 1n75A1 PHE 24 HD2 -0.03 0.13 0.01 -0.04 7.28 7.36 1n75A1 PHE 24 HE2 0.33 0.10 -0.07 -0.04 7.38 7.71 1n75A1 PHE 24 HZ 0.36 0.04 -0.19 -0.04 7.32 7.49 1n75A1 ASN 25 H 0.02 0.41 -0.25 -0.55 8.53 8.17 1n75A1 ASN 25 HA 0.09 0.03 0.47 -0.75 4.76 4.61 1n75A1 ASN 25 HB2 0.00 0.07 0.18 -0.04 2.88 3.09 1n75A1 ASN 25 HB3 0.05 -0.09 -0.08 -0.04 2.79 2.63 1n75A1 ASN 25 HD21 0.17 0.38 0.25 -0.04 7.03 7.79 1n75A1 ASN 25 HD22 0.16 0.16 0.01 -0.04 7.74 8.04 1n75A1 TYR 26 H -0.40 0.67 -0.09 -0.55 8.29 7.93 1n75A1 TYR 26 HA -0.72 -0.00 0.41 -0.75 4.56 3.50 1n75A1 TYR 26 HB2 -0.84 -0.02 0.09 -0.04 3.06 2.25 1n75A1 TYR 26 HB3 -0.35 0.13 0.18 -0.04 2.98 2.89 1n75A1 TYR 26 HD2 -0.02 0.12 -0.01 -0.04 7.15 7.19 1n75A1 TYR 26 HE2 0.00 -0.00 -0.03 -0.04 6.85 6.78 1n75A1 ALA 27 H -0.21 0.58 -0.14 -0.55 8.40 8.08 1n75A1 ALA 27 HA -0.40 -0.01 0.36 -0.75 4.34 3.54 1n75A1 ALA 27 HB3 -0.73 0.02 0.01 -0.04 1.41 0.67 1n75A1 TRP 28 H -0.31 0.52 -0.23 -0.55 7.97 7.40 1n75A1 TRP 28 HA -0.46 0.05 0.34 -0.75 4.62 3.80 1n75A1 TRP 28 HB2 -0.30 0.05 0.08 -0.04 3.23 3.02 1n75A1 TRP 28 HB3 -0.13 0.05 0.06 -0.04 3.23 3.18 1n75A1 TRP 28 HD1 0.05 -0.00 -0.13 -0.04 7.22 7.10 1n75A1 TRP 28 HE1 0.18 -0.01 -0.09 -0.04 10.20 10.24 1n75A1 TRP 28 HE3 0.01 0.03 -0.06 -0.04 7.59 7.53 1n75A1 TRP 28 HZ2 0.31 0.00 -0.03 -0.04 7.44 7.68 1n75A1 TRP 28 HZ3 0.13 0.06 -0.04 -0.04 7.13 7.23 1n75A1 TRP 28 HH2 0.29 -0.01 -0.01 -0.04 7.19 7.43 1n75A1 ALA 29 H -0.17 0.43 -0.36 -0.55 8.40 7.75 1n75A1 ALA 29 HA -0.30 0.02 0.34 -0.75 4.34 3.65 1n75A1 ALA 29 HB3 -0.10 0.01 -0.18 -0.04 1.41 1.10 1n75A1 ARG 30 H -0.43 0.64 -0.05 -0.55 8.46 8.07 1n75A1 ARG 30 HA -0.26 0.05 0.34 -0.75 4.34 3.72 1n75A1 ARG 30 HB2 -0.46 0.05 0.09 -0.04 1.90 1.54 1n75A1 ARG 30 HB3 -0.29 -0.05 -0.01 -0.04 1.80 1.41 1n75A1 ARG 30 HG2 -0.94 0.17 0.05 -0.04 1.67 0.90 1n75A1 ARG 30 HG3 -0.88 -0.08 -0.03 -0.04 1.67 0.64 1n75A1 ARG 30 HD2 -0.21 -0.03 -0.01 -0.04 3.22 2.93 1n75A1 ARG 30 HD3 -0.25 0.07 -0.10 -0.04 3.22 2.90 1n75A1 ARG 31 H -0.32 0.62 -0.22 -0.55 8.46 7.98 1n75A1 ARG 31 HA -0.17 0.01 0.41 -0.75 4.34 3.84 1n75A1 ARG 31 HB2 -0.16 0.05 0.14 -0.04 1.90 1.89 1n75A1 ARG 31 HB3 -0.23 0.03 0.09 -0.04 1.80 1.66 1n75A1 ARG 31 HG2 0.10 0.04 0.01 -0.04 1.67 1.78 1n75A1 ARG 31 HG3 -0.13 -0.07 -0.14 -0.04 1.67 1.29 1n75A1 ARG 31 HD2 -0.09 -0.10 0.16 -0.04 3.22 3.14 1n75A1 ARG 31 HD3 -0.05 0.32 0.13 -0.04 3.22 3.58 1n75A1 ASN 32 H -0.40 0.30 -0.47 -0.55 8.53 7.41 1n75A1 ASN 32 HA -0.26 0.15 0.82 -0.75 4.76 4.72 1n75A1 ASN 32 HB2 -0.57 0.10 0.16 -0.04 2.88 2.52 1n75A1 ASN 32 HB3 -0.35 -0.10 0.19 -0.04 2.79 2.49 1n75A1 ASN 32 HD21 -3.36 -0.12 -0.02 -0.04 7.03 3.49 1n75A1 ASN 32 HD22 -1.92 0.50 0.10 -0.04 7.74 6.38 1n75A1 GLY 33 H -0.20 0.37 -0.37 -0.55 8.43 7.69 1n75A1 GLY 33 HA2 -0.12 -0.00 0.33 -0.51 4.01 3.71 1n75A1 GLY 33 HA3 -0.11 -0.02 0.44 -0.51 4.01 3.81 1n75A1 GLY 34 H -0.19 0.53 -0.18 -0.55 8.43 8.04 1n75A1 GLY 34 HA2 -0.08 0.12 0.68 -0.51 4.01 4.22 1n75A1 GLY 34 HA3 -0.12 0.15 0.42 -0.51 4.01 3.95 1n75A1 ARG 35 H -0.02 0.66 0.39 -0.55 8.46 8.93 1n75A1 ARG 35 HA 0.02 0.16 0.97 -0.75 4.34 4.74 1n75A1 ARG 35 HB2 0.03 0.04 0.06 -0.04 1.90 1.99 1n75A1 ARG 35 HB3 0.04 -0.08 -0.01 -0.04 1.80 1.71 1n75A1 ARG 35 HG2 -0.00 0.02 -0.13 -0.04 1.67 1.52 1n75A1 ARG 35 HG3 -0.01 0.00 -0.28 -0.04 1.67 1.34 1n75A1 ARG 35 HD2 0.00 0.01 -0.06 -0.04 3.22 3.14 1n75A1 ARG 35 HD3 0.03 0.05 -0.06 -0.04 3.22 3.20 1n75A1 PHE 36 H 0.17 0.18 0.19 -0.55 8.34 8.33 1n75A1 PHE 36 HA 0.05 0.23 0.86 -0.75 4.62 5.01 1n75A1 PHE 36 HB2 0.03 0.07 -0.06 -0.04 3.15 3.15 1n75A1 PHE 36 HB3 0.11 -0.03 0.19 -0.04 3.06 3.29 1n75A1 PHE 36 HD2 0.23 0.17 -0.08 -0.04 7.28 7.55 1n75A1 PHE 36 HE2 0.14 -0.03 -0.24 -0.04 7.38 7.20 1n75A1 PHE 36 HZ 0.09 -0.11 -0.07 -0.04 7.32 7.19 1n75A1 ILE 37 H -0.01 0.71 0.38 -0.55 8.25 8.78 1n75A1 ILE 37 HA -0.22 0.07 1.26 -0.75 4.18 4.53 1n75A1 ILE 37 HB -0.03 0.02 -0.01 -0.04 1.89 1.83 1n75A1 ILE 37 HG12 0.04 0.29 0.14 -0.04 1.49 1.92 1n75A1 ILE 37 HG13 0.02 -0.12 -0.19 -0.04 1.21 0.88 1n75A1 ILE 37 HG23 0.03 -0.00 -0.21 -0.04 0.93 0.71 1n75A1 ILE 37 HD13 0.11 0.01 -0.15 -0.04 0.88 0.81 1n75A1 VAL 38 H -0.31 0.75 0.40 -0.55 8.24 8.52 1n75A1 VAL 38 HA -0.27 0.19 1.12 -0.75 4.13 4.41 1n75A1 VAL 38 HB -0.65 -0.03 0.26 -0.04 2.12 1.66 1n75A1 VAL 38 HG13 -0.27 -0.03 -0.13 -0.04 0.97 0.51 1n75A1 VAL 38 HG23 -0.89 -0.01 -0.10 -0.04 0.95 -0.08 1n75A1 ARG 39 H -0.04 0.61 0.34 -0.55 8.46 8.81 1n75A1 ARG 39 HA 0.11 0.25 0.90 -0.75 4.34 4.85 1n75A1 ARG 39 HB2 0.10 0.07 -0.19 -0.04 1.90 1.84 1n75A1 ARG 39 HB3 0.05 -0.03 0.04 -0.04 1.80 1.82 1n75A1 ARG 39 HG2 0.05 -0.10 -0.39 -0.04 1.67 1.19 1n75A1 ARG 39 HG3 0.06 0.02 -0.19 -0.04 1.67 1.52 1n75A1 ARG 39 HD2 0.03 -0.01 -0.20 -0.04 3.22 3.00 1n75A1 ARG 39 HD3 0.02 0.12 -0.19 -0.04 3.22 3.13 1n75A1 ILE 40 H 0.06 0.65 0.32 -0.55 8.25 8.74 1n75A1 ILE 40 HA 0.03 0.24 0.69 -0.75 4.18 4.39 1n75A1 ILE 40 HB 0.07 -0.14 0.27 -0.04 1.89 2.05 1n75A1 ILE 40 HG12 0.03 0.12 0.09 -0.04 1.49 1.68 1n75A1 ILE 40 HG13 0.05 -0.06 0.04 -0.04 1.21 1.19 1n75A1 ILE 40 HG23 0.08 -0.01 -0.12 -0.04 0.93 0.84 1n75A1 ILE 40 HD13 -0.01 0.01 -0.08 -0.04 0.88 0.76 1n75A1 GLU 41 H 0.04 0.70 0.07 -0.55 8.60 8.87 1n75A1 GLU 41 HA 0.05 0.06 0.66 -0.75 4.29 4.30 1n75A1 GLU 41 HB2 0.04 0.12 -0.05 -0.04 2.09 2.16 1n75A1 GLU 41 HB3 0.02 0.01 -0.02 -0.04 1.99 1.96 1n75A1 GLU 41 HG2 0.03 -0.18 -0.10 -0.04 2.34 2.05 1n75A1 GLU 41 HG3 0.04 0.04 -0.03 -0.04 2.34 2.35 1n75A1 ASP 42 H 0.08 0.18 -0.08 -0.55 8.40 8.04 1n75A1 ASP 42 HA 0.13 0.24 0.93 -0.75 4.63 5.18 1n75A1 ASP 42 HB2 0.23 0.08 0.13 -0.04 2.71 3.11 1n75A1 ASP 42 HB3 0.18 0.01 -0.06 -0.04 2.70 2.79 1n75A1 THR 43 H 0.08 0.13 -0.28 -0.55 8.28 7.66 1n75A1 THR 43 HA 0.25 0.18 0.50 -0.75 4.39 4.56 1n75A1 THR 43 HB 0.25 0.07 -0.01 -0.04 4.32 4.59 1n75A1 THR 43 HG23 0.05 0.00 -0.11 -0.04 1.22 1.12 1n75A1 ASP 44 H 0.06 0.08 -0.16 -0.55 8.40 7.82 1n75A1 ASP 44 HA -0.05 0.11 0.47 -0.75 4.63 4.40 1n75A1 ASP 44 HB2 0.01 0.05 0.09 -0.04 2.71 2.82 1n75A1 ASP 44 HB3 0.04 0.04 0.13 -0.04 2.70 2.87 1n75A1 ARG 45 H -0.18 0.39 0.30 -0.55 8.46 8.42 1n75A1 ARG 45 HA 0.01 0.09 0.37 -0.75 4.34 4.06 1n75A1 ARG 45 HB2 -0.08 0.03 0.16 -0.04 1.90 1.97 1n75A1 ARG 45 HB3 -0.11 0.06 0.11 -0.04 1.80 1.82 1n75A1 ARG 45 HG2 -0.38 -0.03 0.16 -0.04 1.67 1.37 1n75A1 ARG 45 HG3 -0.17 -0.00 -0.09 -0.04 1.67 1.36 1n75A1 ARG 45 HD2 -0.15 0.02 0.03 -0.04 3.22 3.08 1n75A1 ARG 45 HD3 -0.56 0.04 0.06 -0.04 3.22 2.72 1n75A1 ALA 46 H -0.02 -0.13 -0.67 -0.55 8.40 7.03 1n75A1 ALA 46 HA -0.00 0.25 0.80 -0.75 4.34 4.64 1n75A1 ALA 46 HB3 -0.02 -0.01 0.01 -0.04 1.41 1.35 1n75A1 ARG 47 H 0.03 0.01 -0.04 -0.55 8.46 7.91 1n75A1 ARG 47 HA 0.03 0.27 0.82 -0.75 4.34 4.70 1n75A1 ARG 47 HB2 0.03 -0.07 0.06 -0.04 1.90 1.88 1n75A1 ARG 47 HB3 0.02 0.05 0.17 -0.04 1.80 2.00 1n75A1 ARG 47 HG2 0.01 0.10 -0.07 -0.04 1.67 1.68 1n75A1 ARG 47 HG3 0.01 -0.10 -0.06 -0.04 1.67 1.48 1n75A1 ARG 47 HD2 0.02 -0.06 0.01 -0.04 3.22 3.15 1n75A1 ARG 47 HD3 0.02 0.03 0.03 -0.04 3.22 3.26 1n75A1 TYR 48 H 0.16 0.07 -0.29 -0.55 8.29 7.68 1n75A1 TYR 48 HA 0.02 0.08 0.40 -0.75 4.56 4.30 1n75A1 TYR 48 HB2 0.01 0.05 0.01 -0.04 3.06 3.10 1n75A1 TYR 48 HB3 0.01 0.05 -0.03 -0.04 2.98 2.96 1n75A1 TYR 48 HD2 0.02 0.01 -0.18 -0.04 7.15 6.97 1n75A1 TYR 48 HE2 0.03 -0.06 -0.07 -0.04 6.85 6.70 1n75A1 VAL 49 H -0.66 0.37 0.26 -0.55 8.24 7.66 1n75A1 VAL 49 HA -0.13 0.28 0.90 -0.75 4.13 4.43 1n75A1 VAL 49 HB -0.18 -0.17 -0.05 -0.04 2.12 1.68 1n75A1 VAL 49 HG13 -0.07 0.00 -0.18 -0.04 0.97 0.69 1n75A1 VAL 49 HG23 -0.06 0.07 -0.32 -0.04 0.95 0.60 1n75A1 PRO 50 HA 0.02 -0.06 0.50 -0.51 4.44 4.39 1n75A1 PRO 50 HB2 0.04 0.05 0.12 -0.04 2.28 2.45 1n75A1 PRO 50 HB3 0.11 0.03 0.08 -0.04 2.02 2.19 1n75A1 PRO 50 HG2 0.10 0.08 0.06 -0.04 2.03 2.23 1n75A1 PRO 50 HG3 0.29 0.04 0.01 -0.04 2.03 2.34 1n75A1 PRO 50 HD2 0.00 0.12 0.18 -0.04 3.68 3.95 1n75A1 PRO 50 HD3 0.06 0.31 0.10 -0.04 3.65 4.07 1n75A1 GLY 51 H -0.01 0.09 0.25 -0.55 8.43 8.22 1n75A1 GLY 51 HA2 0.01 -0.02 0.38 -0.51 4.01 3.86 1n75A1 GLY 51 HA3 -0.01 0.29 0.72 -0.51 4.01 4.49 1n75A1 ALA 52 H -0.14 0.59 -0.19 -0.55 8.40 8.12 1n75A1 ALA 52 HA -0.04 0.12 0.40 -0.75 4.34 4.07 1n75A1 ALA 52 HB3 -0.14 0.02 0.05 -0.04 1.41 1.30 1n75A1 GLU 53 H -0.05 0.14 -0.02 -0.55 8.60 8.12 1n75A1 GLU 53 HA 0.01 0.08 0.39 -0.75 4.29 4.03 1n75A1 GLU 53 HB2 0.06 0.05 0.11 -0.04 2.09 2.27 1n75A1 GLU 53 HB3 0.05 -0.04 0.10 -0.04 1.99 2.06 1n75A1 GLU 53 HG2 0.04 0.00 -0.27 -0.04 2.34 2.07 1n75A1 GLU 53 HG3 0.04 0.01 0.00 -0.04 2.34 2.35 1n75A1 GLU 54 H 0.02 0.06 -0.20 -0.55 8.60 7.94 1n75A1 GLU 54 HA 0.04 0.05 0.37 -0.75 4.29 4.00 1n75A1 GLU 54 HB2 0.02 0.10 0.10 -0.04 2.09 2.27 1n75A1 GLU 54 HB3 0.03 0.06 0.01 -0.04 1.99 2.04 1n75A1 GLU 54 HG2 0.03 0.09 0.03 -0.04 2.34 2.45 1n75A1 GLU 54 HG3 0.04 0.01 0.02 -0.04 2.34 2.37 1n75A1 ARG 55 H 0.01 0.49 -0.26 -0.55 8.46 8.14 1n75A1 ARG 55 HA 0.01 0.05 0.44 -0.75 4.34 4.09 1n75A1 ARG 55 HB2 0.01 0.11 0.17 -0.04 1.90 2.15 1n75A1 ARG 55 HB3 0.01 -0.10 0.06 -0.04 1.80 1.72 1n75A1 ARG 55 HG2 -0.01 -0.04 0.03 -0.04 1.67 1.61 1n75A1 ARG 55 HG3 -0.00 0.19 0.10 -0.04 1.67 1.92 1n75A1 ARG 55 HD2 -0.01 0.02 -0.07 -0.04 3.22 3.11 1n75A1 ARG 55 HD3 -0.01 0.01 -0.16 -0.04 3.22 3.02 1n75A1 ILE 56 H 0.03 0.53 -0.14 -0.55 8.25 8.13 1n75A1 ILE 56 HA 0.08 -0.04 0.51 -0.75 4.18 3.97 1n75A1 ILE 56 HB 0.03 0.13 0.14 -0.04 1.89 2.14 1n75A1 ILE 56 HG12 0.07 -0.19 0.04 -0.04 1.49 1.37 1n75A1 ILE 56 HG13 0.03 0.26 0.06 -0.04 1.21 1.52 1n75A1 ILE 56 HG23 0.06 -0.02 -0.14 -0.04 0.93 0.79 1n75A1 ILE 56 HD13 0.04 -0.03 -0.15 -0.04 0.88 0.71 1n75A1 LEU 57 H 0.05 0.55 -0.08 -0.55 8.37 8.35 1n75A1 LEU 57 HA 0.09 0.03 0.39 -0.75 4.35 4.10 1n75A1 LEU 57 HB2 0.08 0.10 0.14 -0.04 1.64 1.92 1n75A1 LEU 57 HB3 0.16 -0.01 0.00 -0.04 1.64 1.76 1n75A1 LEU 57 HG 0.02 0.15 0.04 -0.04 1.64 1.81 1n75A1 LEU 57 HD13 0.06 -0.03 -0.05 -0.04 0.93 0.86 1n75A1 LEU 57 HD23 -0.14 -0.01 -0.03 -0.04 0.89 0.67 1n75A1 ALA 58 H 0.07 0.60 -0.15 -0.55 8.40 8.37 1n75A1 ALA 58 HA 0.10 0.04 0.38 -0.75 4.34 4.12 1n75A1 ALA 58 HB3 0.04 0.02 0.09 -0.04 1.41 1.52 1n75A1 ALA 59 H 0.11 0.47 -0.24 -0.55 8.40 8.19 1n75A1 ALA 59 HA 0.28 0.03 0.39 -0.75 4.34 4.28 1n75A1 ALA 59 HB3 0.16 0.01 0.09 -0.04 1.41 1.63 1n75A1 LEU 60 H 0.16 0.49 -0.22 -0.55 8.37 8.26 1n75A1 LEU 60 HA 0.14 -0.01 0.40 -0.75 4.35 4.13 1n75A1 LEU 60 HB2 0.21 0.15 0.07 -0.04 1.64 2.04 1n75A1 LEU 60 HB3 0.20 -0.02 -0.09 -0.04 1.64 1.69 1n75A1 LEU 60 HG 0.12 0.24 0.04 -0.04 1.64 2.00 1n75A1 LEU 60 HD13 0.07 -0.02 -0.09 -0.04 0.93 0.85 1n75A1 LEU 60 HD23 0.15 -0.03 -0.09 -0.04 0.89 0.88 1n75A1 LYS 61 H 0.17 0.39 -0.22 -0.55 8.42 8.21 1n75A1 LYS 61 HA 0.06 0.31 0.46 -0.75 4.32 4.39 1n75A1 LYS 61 HB2 0.12 0.06 0.12 -0.04 1.87 2.14 1n75A1 LYS 61 HB3 0.06 -0.02 0.04 -0.04 1.79 1.83 1n75A1 LYS 61 HG2 0.02 0.02 0.00 -0.04 1.46 1.46 1n75A1 LYS 61 HG3 0.18 0.11 0.05 -0.04 1.46 1.76 1n75A1 LYS 61 HD2 0.08 -0.03 -0.07 -0.04 1.69 1.64 1n75A1 LYS 61 HD3 0.01 -0.00 -0.02 -0.04 1.68 1.63 1n75A1 LYS 61 HE2 -0.10 -0.01 -0.05 -0.04 2.99 2.80 1n75A1 LYS 61 HE3 0.26 -0.01 -0.10 -0.04 2.99 3.10 1n75A1 TRP 62 H 0.31 0.50 -0.13 -0.55 7.97 8.11 1n75A1 TRP 62 HA 0.01 0.03 0.43 -0.75 4.62 4.33 1n75A1 TRP 62 HB2 0.03 0.01 0.09 -0.04 3.23 3.32 1n75A1 TRP 62 HB3 0.03 0.07 0.18 -0.04 3.23 3.47 1n75A1 TRP 62 HD1 0.02 0.01 0.06 -0.04 7.22 7.27 1n75A1 TRP 62 HE1 0.04 0.02 0.05 -0.04 10.20 10.26 1n75A1 TRP 62 HE3 0.05 0.07 -0.01 -0.04 7.59 7.67 1n75A1 TRP 62 HZ2 0.09 0.24 0.03 -0.04 7.44 7.76 1n75A1 TRP 62 HZ3 0.09 -0.08 -0.04 -0.04 7.13 7.07 1n75A1 TRP 62 HH2 0.15 -0.04 -0.26 -0.04 7.19 6.99 1n75A1 LEU 63 H 0.12 0.42 -0.30 -0.55 8.37 8.06 1n75A1 LEU 63 HA -0.53 -0.03 0.41 -0.75 4.35 3.44 1n75A1 LEU 63 HB2 -0.02 0.14 0.14 -0.04 1.64 1.86 1n75A1 LEU 63 HB3 -0.14 -0.05 0.06 -0.04 1.64 1.47 1n75A1 LEU 63 HG 0.14 0.07 0.04 -0.04 1.64 1.85 1n75A1 LEU 63 HD13 0.08 -0.03 -0.04 -0.04 0.93 0.90 1n75A1 LEU 63 HD23 -0.32 -0.03 0.02 -0.04 0.89 0.52 1n75A1 GLY 64 H -0.08 0.36 -0.59 -0.55 8.43 7.58 1n75A1 GLY 64 HA2 -0.09 0.05 0.27 -0.51 4.01 3.73 1n75A1 GLY 64 HA3 -0.14 0.05 0.76 -0.51 4.01 4.17 1n75A1 LEU 65 H -0.11 0.28 -0.01 -0.55 8.37 7.99 1n75A1 LEU 65 HA -0.69 0.10 0.58 -0.75 4.35 3.59 1n75A1 LEU 65 HB2 -0.02 0.01 -0.07 -0.04 1.64 1.51 1n75A1 LEU 65 HB3 -0.26 0.01 0.01 -0.04 1.64 1.36 1n75A1 LEU 65 HG -0.18 -0.01 -0.13 -0.04 1.64 1.28 1n75A1 LEU 65 HD13 -0.02 -0.02 -0.11 -0.04 0.93 0.75 1n75A1 LEU 65 HD23 -0.54 0.01 -0.11 -0.04 0.89 0.21 1n75A1 SER 66 H -0.11 0.32 0.19 -0.55 8.46 8.31 1n75A1 SER 66 HA -0.04 0.08 0.57 -0.75 4.49 4.35 1n75A1 SER 66 HB2 0.02 0.07 -0.16 -0.04 3.95 3.84 1n75A1 SER 66 HB3 0.20 -0.01 -0.04 -0.04 3.93 4.04 1n75A1 TYR 67 H -0.41 0.23 0.15 -0.55 8.29 7.72 1n75A1 TYR 67 HA 0.22 0.22 0.82 -0.75 4.56 5.07 1n75A1 TYR 67 HB2 -0.28 0.04 0.12 -0.04 3.06 2.90 1n75A1 TYR 67 HB3 -0.30 0.02 -0.13 -0.04 2.98 2.53 1n75A1 TYR 67 HD2 -0.06 0.05 -0.34 -0.04 7.15 6.76 1n75A1 TYR 67 HE2 -0.03 -0.07 -0.10 -0.04 6.85 6.61 1n75A1 ASP 68 H 0.09 0.72 0.41 -0.55 8.40 9.08 1n75A1 ASP 68 HA -0.02 0.17 0.86 -0.75 4.63 4.89 1n75A1 ASP 68 HB2 0.02 0.01 0.06 -0.04 2.71 2.77 1n75A1 ASP 68 HB3 0.00 0.03 0.10 -0.04 2.70 2.79 1n75A1 GLU 69 H -0.02 0.18 0.28 -0.55 8.60 8.49 1n75A1 GLU 69 HA -0.24 0.44 0.83 -0.75 4.29 4.56 1n75A1 GLU 69 HB2 -0.14 -0.09 0.05 -0.04 2.09 1.87 1n75A1 GLU 69 HB3 -0.66 -0.00 0.02 -0.04 1.99 1.31 1n75A1 GLU 69 HG2 -0.07 0.01 0.12 -0.04 2.34 2.36 1n75A1 GLU 69 HG3 -0.04 -0.03 -0.50 -0.04 2.34 1.72 1n75A1 GLY 70 H -0.60 0.70 0.26 -0.55 8.43 8.24 1n75A1 GLY 70 HA2 -0.37 0.44 0.54 -0.51 4.01 4.11 1n75A1 GLY 70 HA3 -0.17 -0.04 0.46 -0.51 4.01 3.75 1n75A1 PRO 71 HA 0.11 0.03 0.42 -0.51 4.44 4.49 1n75A1 PRO 71 HB2 0.05 -0.00 0.03 -0.04 2.28 2.32 1n75A1 PRO 71 HB3 0.07 0.00 0.03 -0.04 2.02 2.08 1n75A1 PRO 71 HG2 0.01 -0.01 0.04 -0.04 2.03 2.03 1n75A1 PRO 71 HG3 0.07 0.16 0.05 -0.04 2.03 2.27 1n75A1 PRO 71 HD2 -0.08 0.04 0.18 -0.04 3.68 3.77 1n75A1 PRO 71 HD3 -0.10 0.36 0.24 -0.04 3.65 4.10 1n75A1 ASP 72 H 0.07 0.06 -0.08 -0.55 8.40 7.90 1n75A1 ASP 72 HA 0.04 0.20 0.68 -0.75 4.63 4.81 1n75A1 ASP 72 HB2 0.05 0.08 -0.02 -0.04 2.71 2.78 1n75A1 ASP 72 HB3 0.06 -0.04 0.02 -0.04 2.70 2.70 1n75A1 VAL 73 H 0.08 -0.04 -0.16 -0.55 8.24 7.57 1n75A1 VAL 73 HA -0.01 0.12 0.47 -0.75 4.13 3.96 1n75A1 VAL 73 HB -0.06 -0.06 -0.03 -0.04 2.12 1.93 1n75A1 VAL 73 HG13 0.03 0.03 -0.25 -0.04 0.97 0.73 1n75A1 VAL 73 HG23 -0.06 0.03 -0.08 -0.04 0.95 0.80 1n75A1 GLY 74 H -0.05 0.22 -0.27 -0.55 8.43 7.79 1n75A1 GLY 74 HA2 0.05 0.01 0.30 -0.51 4.01 3.86 1n75A1 GLY 74 HA3 0.01 0.14 0.66 -0.51 4.01 4.31 1n75A1 GLY 75 H 0.07 0.24 0.20 -0.55 8.43 8.40 1n75A1 GLY 75 HA2 -0.03 0.16 0.38 -0.51 4.01 4.01 1n75A1 GLY 75 HA3 0.01 0.05 0.52 -0.51 4.01 4.07 1n75A1 PRO 76 HA -0.10 0.10 0.57 -0.51 4.44 4.50 1n75A1 PRO 76 HB2 -0.48 0.08 0.05 -0.04 2.28 1.89 1n75A1 PRO 76 HB3 -0.17 0.00 0.10 -0.04 2.02 1.90 1n75A1 PRO 76 HG2 -0.63 0.10 0.01 -0.04 2.03 1.46 1n75A1 PRO 76 HG3 -0.20 0.07 0.04 -0.04 2.03 1.90 1n75A1 PRO 76 HD2 -0.01 0.11 0.19 -0.04 3.68 3.93 1n75A1 PRO 76 HD3 -0.07 0.15 0.16 -0.04 3.65 3.85 1n75A1 HIS 77 H 0.09 0.03 -0.32 -0.55 8.41 7.67 1n75A1 HIS 77 HA -0.08 0.28 0.92 -0.75 4.63 5.00 1n75A1 HIS 77 HB2 -0.02 -0.07 0.03 -0.04 3.26 3.16 1n75A1 HIS 77 HB3 -0.11 0.12 0.09 -0.04 3.20 3.26 1n75A1 HIS 77 HD2 0.01 0.03 -0.06 -0.04 6.97 6.90 1n75A1 HIS 77 HE1 -0.05 -0.04 -0.06 -0.04 7.75 7.56 1n75A1 GLY 78 H -0.07 0.14 -0.32 -0.55 8.43 7.63 1n75A1 GLY 78 HA2 -1.09 0.22 0.12 -0.51 4.01 2.74 1n75A1 GLY 78 HA3 -0.29 -0.10 0.14 -0.51 4.01 3.25 1n75A1 PRO 79 HA -0.06 0.03 0.32 -0.51 4.44 4.21 1n75A1 PRO 79 HB2 -0.07 0.02 -0.09 -0.04 2.28 2.10 1n75A1 PRO 79 HB3 -0.02 -0.05 0.09 -0.04 2.02 2.00 1n75A1 PRO 79 HG2 -0.06 0.24 0.07 -0.04 2.03 2.25 1n75A1 PRO 79 HG3 -0.04 0.01 0.07 -0.04 2.03 2.02 1n75A1 PRO 79 HD2 -0.12 0.06 0.16 -0.04 3.68 3.74 1n75A1 PRO 79 HD3 -0.09 0.18 0.33 -0.04 3.65 4.03 1n75A1 TYR 80 H 0.13 0.15 0.05 -0.55 8.29 8.06 1n75A1 TYR 80 HA -0.00 0.36 0.83 -0.75 4.56 5.00 1n75A1 TYR 80 HB2 -0.00 -0.05 -0.24 -0.04 3.06 2.73 1n75A1 TYR 80 HB3 -0.02 0.11 0.21 -0.04 2.98 3.23 1n75A1 TYR 80 HD2 -0.01 0.02 -0.18 -0.04 7.15 6.94 1n75A1 TYR 80 HE2 -0.00 0.05 -0.30 -0.04 6.85 6.55 1n75A1 ARG 81 H 0.03 0.24 -0.24 -0.55 8.46 7.94 1n75A1 ARG 81 HA 0.07 0.16 0.90 -0.75 4.34 4.72 1n75A1 ARG 81 HB2 0.04 0.02 0.09 -0.04 1.90 2.01 1n75A1 ARG 81 HB3 0.06 -0.07 0.05 -0.04 1.80 1.80 1n75A1 ARG 81 HG2 0.08 0.04 -0.01 -0.04 1.67 1.74 1n75A1 ARG 81 HG3 0.08 -0.01 -0.12 -0.04 1.67 1.58 1n75A1 ARG 81 HD2 0.05 0.06 -0.02 -0.04 3.22 3.27 1n75A1 ARG 81 HD3 0.08 -0.02 0.00 -0.04 3.22 3.24 1n75A1 GLN 82 H 0.08 0.67 0.22 -0.55 8.47 8.89 1n75A1 GLN 82 HA 0.15 0.19 0.34 -0.75 4.36 4.29 1n75A1 GLN 82 HB2 0.08 -0.20 0.08 -0.04 2.15 2.06 1n75A1 GLN 82 HB3 0.12 0.04 0.00 -0.04 2.02 2.14 1n75A1 GLN 82 HG2 0.11 0.09 -0.13 -0.04 2.40 2.43 1n75A1 GLN 82 HG3 0.06 0.25 -0.07 -0.04 2.39 2.59 1n75A1 GLN 82 HE21 -0.08 -0.06 -0.26 -0.04 6.97 6.53 1n75A1 GLN 82 HE22 0.03 0.12 -0.21 -0.04 7.69 7.59 1n75A1 SER 83 H 0.07 0.03 -0.33 -0.55 8.46 7.69 1n75A1 SER 83 HA 0.04 0.11 0.35 -0.75 4.49 4.24 1n75A1 SER 83 HB2 0.03 0.08 0.06 -0.04 3.95 4.08 1n75A1 SER 83 HB3 0.07 0.10 -0.02 -0.04 3.93 4.04 1n75A1 GLU 84 H 0.02 0.37 -0.57 -0.55 8.60 7.87 1n75A1 GLU 84 HA -0.02 0.19 0.77 -0.75 4.29 4.47 1n75A1 GLU 84 HB2 -0.01 0.06 0.06 -0.04 2.09 2.15 1n75A1 GLU 84 HB3 -0.02 0.04 0.17 -0.04 1.99 2.15 1n75A1 GLU 84 HG2 0.00 0.07 -0.05 -0.04 2.34 2.32 1n75A1 GLU 84 HG3 0.02 -0.17 -0.10 -0.04 2.34 2.05 1n75A1 ARG 85 H -0.01 0.39 -0.32 -0.55 8.46 7.97 1n75A1 ARG 85 HA -0.14 0.24 0.87 -0.75 4.34 4.55 1n75A1 ARG 85 HB2 -0.44 -0.09 0.16 -0.04 1.90 1.49 1n75A1 ARG 85 HB3 -0.17 0.14 0.01 -0.04 1.80 1.73 1n75A1 ARG 85 HG2 -0.01 -0.04 -0.05 -0.04 1.67 1.53 1n75A1 ARG 85 HG3 0.04 -0.06 -0.01 -0.04 1.67 1.59 1n75A1 ARG 85 HD2 -0.12 0.10 -0.20 -0.04 3.22 2.96 1n75A1 ARG 85 HD3 -0.02 -0.12 -0.34 -0.04 3.22 2.69 1n75A1 LEU 86 H -0.07 0.19 -0.14 -0.55 8.37 7.81 1n75A1 LEU 86 HA 0.15 0.00 0.38 -0.75 4.35 4.13 1n75A1 LEU 86 HB2 -0.12 0.05 0.06 -0.04 1.64 1.59 1n75A1 LEU 86 HB3 -0.17 0.06 0.04 -0.04 1.64 1.52 1n75A1 LEU 86 HG -0.10 0.08 0.08 -0.04 1.64 1.65 1n75A1 LEU 86 HD13 -0.38 0.00 0.04 -0.04 0.93 0.55 1n75A1 LEU 86 HD23 -0.24 -0.02 0.03 -0.04 0.89 0.62 1n75A1 PRO 87 HA -0.05 0.07 0.46 -0.51 4.44 4.41 1n75A1 PRO 87 HB2 -0.08 0.06 -0.03 -0.04 2.28 2.18 1n75A1 PRO 87 HB3 -0.06 0.04 0.04 -0.04 2.02 2.01 1n75A1 PRO 87 HG2 -0.06 0.08 -0.01 -0.04 2.03 2.00 1n75A1 PRO 87 HG3 -0.06 0.05 -0.01 -0.04 2.03 1.97 1n75A1 PRO 87 HD2 -0.11 0.11 -0.22 -0.04 3.68 3.42 1n75A1 PRO 87 HD3 -0.09 0.06 -0.01 -0.04 3.65 3.58 1n75A1 LEU 88 H -0.23 0.36 -0.26 -0.55 8.37 7.70 1n75A1 LEU 88 HA -0.07 0.06 0.42 -0.75 4.35 4.00 1n75A1 LEU 88 HB2 -0.50 0.22 0.17 -0.04 1.64 1.48 1n75A1 LEU 88 HB3 -0.11 -0.02 -0.07 -0.04 1.64 1.41 1n75A1 LEU 88 HG -0.14 -0.04 0.04 -0.04 1.64 1.47 1n75A1 LEU 88 HD13 -0.15 0.02 -0.02 -0.04 0.93 0.73 1n75A1 LEU 88 HD23 0.03 0.00 -0.01 -0.04 0.89 0.88 1n75A1 TYR 89 H -0.48 0.34 -0.11 -0.55 8.29 7.49 1n75A1 TYR 89 HA 0.13 0.05 0.37 -0.75 4.56 4.35 1n75A1 TYR 89 HB2 -0.01 0.15 0.07 -0.04 3.06 3.24 1n75A1 TYR 89 HB3 0.02 -0.07 0.00 -0.04 2.98 2.90 1n75A1 TYR 89 HD2 -0.04 0.03 -0.03 -0.04 7.15 7.07 1n75A1 TYR 89 HE2 -0.06 0.10 -0.06 -0.04 6.85 6.78 1n75A1 GLN 90 H 0.06 0.39 -0.23 -0.55 8.47 8.15 1n75A1 GLN 90 HA 0.07 0.01 0.41 -0.75 4.36 4.10 1n75A1 GLN 90 HB2 0.00 0.11 0.13 -0.04 2.15 2.34 1n75A1 GLN 90 HB3 0.02 -0.03 0.03 -0.04 2.02 2.00 1n75A1 GLN 90 HG2 0.02 -0.00 0.04 -0.04 2.40 2.42 1n75A1 GLN 90 HG3 0.04 0.15 0.15 -0.04 2.39 2.69 1n75A1 GLN 90 HE21 -0.04 -0.05 -0.03 -0.04 6.97 6.81 1n75A1 GLN 90 HE22 -0.02 0.05 0.06 -0.04 7.69 7.74 1n75A1 LYS 91 H -0.01 0.50 -0.15 -0.55 8.42 8.21 1n75A1 LYS 91 HA -0.04 0.02 0.41 -0.75 4.32 3.96 1n75A1 LYS 91 HB2 -0.20 0.12 0.13 -0.04 1.87 1.89 1n75A1 LYS 91 HB3 -0.19 -0.03 0.03 -0.04 1.79 1.55 1n75A1 LYS 91 HG2 -0.06 -0.06 0.02 -0.04 1.46 1.31 1n75A1 LYS 91 HG3 -0.06 0.28 0.12 -0.04 1.46 1.76 1n75A1 LYS 91 HD2 -0.11 -0.00 -0.06 -0.04 1.69 1.48 1n75A1 LYS 91 HD3 -0.10 -0.02 -0.02 -0.04 1.68 1.50 1n75A1 LYS 91 HE2 -0.05 -0.02 -0.03 -0.04 2.99 2.85 1n75A1 LYS 91 HE3 -0.06 -0.03 -0.08 -0.04 2.99 2.78 1n75A1 TYR 92 H 0.13 0.49 -0.19 -0.55 8.29 8.17 1n75A1 TYR 92 HA 0.10 0.09 0.53 -0.75 4.56 4.53 1n75A1 TYR 92 HB2 0.08 0.04 0.11 -0.04 3.06 3.25 1n75A1 TYR 92 HB3 0.10 -0.03 -0.02 -0.04 2.98 2.99 1n75A1 TYR 92 HD2 -0.20 0.10 -0.03 -0.04 7.15 6.97 1n75A1 TYR 92 HE2 0.09 0.01 -0.03 -0.04 6.85 6.88 1n75A1 ALA 93 H 0.18 0.53 -0.24 -0.55 8.40 8.32 1n75A1 ALA 93 HA 0.13 0.01 0.37 -0.75 4.34 4.10 1n75A1 ALA 93 HB3 0.09 0.02 0.04 -0.04 1.41 1.51 1n75A1 GLU 94 H 0.06 0.51 -0.24 -0.55 8.60 8.38 1n75A1 GLU 94 HA 0.05 -0.01 0.37 -0.75 4.29 3.93 1n75A1 GLU 94 HB2 0.01 0.16 0.09 -0.04 2.09 2.30 1n75A1 GLU 94 HB3 0.02 -0.06 0.03 -0.04 1.99 1.94 1n75A1 GLU 94 HG2 0.04 -0.09 -0.01 -0.04 2.34 2.24 1n75A1 GLU 94 HG3 0.03 0.59 0.12 -0.04 2.34 3.03 1n75A1 GLU 95 H 0.07 0.38 -0.37 -0.55 8.60 8.12 1n75A1 GLU 95 HA 0.04 0.01 0.42 -0.75 4.29 4.01 1n75A1 GLU 95 HB2 0.01 0.03 0.12 -0.04 2.09 2.21 1n75A1 GLU 95 HB3 0.23 0.17 0.14 -0.04 1.99 2.49 1n75A1 GLU 95 HG2 0.17 0.01 -0.01 -0.04 2.34 2.47 1n75A1 GLU 95 HG3 0.11 0.02 -0.18 -0.04 2.34 2.25 1n75A1 LEU 96 H 0.09 0.41 -0.29 -0.55 8.37 8.04 1n75A1 LEU 96 HA -0.03 0.10 0.38 -0.75 4.35 4.05 1n75A1 LEU 96 HB2 0.01 0.12 0.03 -0.04 1.64 1.76 1n75A1 LEU 96 HB3 -0.01 -0.06 -0.25 -0.04 1.64 1.28 1n75A1 LEU 96 HG -0.14 0.20 -0.01 -0.04 1.64 1.66 1n75A1 LEU 96 HD13 -0.15 -0.03 -0.11 -0.04 0.93 0.60 1n75A1 LEU 96 HD23 -1.07 0.02 -0.12 -0.04 0.89 -0.32 1n75A1 LEU 97 H 0.05 0.47 -0.24 -0.55 8.37 8.11 1n75A1 LEU 97 HA 0.07 0.10 0.35 -0.75 4.35 4.12 1n75A1 LEU 97 HB2 0.05 0.19 0.15 -0.04 1.64 1.98 1n75A1 LEU 97 HB3 0.05 -0.04 -0.05 -0.04 1.64 1.56 1n75A1 LEU 97 HG 0.05 0.13 -0.11 -0.04 1.64 1.66 1n75A1 LEU 97 HD13 0.05 -0.02 -0.10 -0.04 0.93 0.82 1n75A1 LEU 97 HD23 0.05 -0.01 -0.34 -0.04 0.89 0.55 1n75A1 LYS 98 H 0.04 0.55 -0.17 -0.55 8.42 8.30 1n75A1 LYS 98 HA 0.03 -0.03 0.40 -0.75 4.32 3.97 1n75A1 LYS 98 HB2 0.04 0.12 0.19 -0.04 1.87 2.18 1n75A1 LYS 98 HB3 0.03 -0.03 0.01 -0.04 1.79 1.77 1n75A1 LYS 98 HG2 0.02 -0.05 0.01 -0.04 1.46 1.40 1n75A1 LYS 98 HG3 0.02 -0.06 0.05 -0.04 1.46 1.43 1n75A1 LYS 98 HD2 0.03 -0.12 -0.03 -0.04 1.69 1.54 1n75A1 LYS 98 HD3 0.03 0.27 0.01 -0.04 1.68 1.95 1n75A1 LYS 98 HE2 0.02 -0.02 -0.03 -0.04 2.99 2.91 1n75A1 LYS 98 HE3 0.02 -0.04 -0.02 -0.04 2.99 2.91 1n75A1 ARG 99 H 0.07 0.30 -0.40 -0.55 8.46 7.88 1n75A1 ARG 99 HA 0.07 0.09 0.67 -0.75 4.34 4.41 1n75A1 ARG 99 HB2 0.20 -0.04 0.12 -0.04 1.90 2.14 1n75A1 ARG 99 HB3 0.26 -0.01 0.16 -0.04 1.80 2.17 1n75A1 ARG 99 HG2 0.07 -0.08 -0.01 -0.04 1.67 1.61 1n75A1 ARG 99 HG3 0.06 0.29 0.06 -0.04 1.67 2.04 1n75A1 ARG 99 HD2 -0.06 -0.05 -0.07 -0.04 3.22 3.01 1n75A1 ARG 99 HD3 0.05 0.08 0.06 -0.04 3.22 3.37 1n75A1 GLY 100 H 0.05 0.41 -0.29 -0.55 8.43 8.05 1n75A1 GLY 100 HA2 -0.02 0.04 0.39 -0.51 4.01 3.91 1n75A1 GLY 100 HA3 -0.10 0.06 0.58 -0.51 4.01 4.04 1n75A1 TRP 101 H 0.19 0.43 -0.06 -0.55 7.97 7.99 1n75A1 TRP 101 HA -0.04 0.25 0.78 -0.75 4.62 4.85 1n75A1 TRP 101 HB2 -0.17 0.02 0.06 -0.04 3.23 3.10 1n75A1 TRP 101 HB3 -0.18 -0.12 0.09 -0.04 3.23 2.98 1n75A1 TRP 101 HD1 -0.11 0.05 -0.03 -0.04 7.22 7.08 1n75A1 TRP 101 HE1 -0.07 0.01 0.01 -0.04 10.20 10.11 1n75A1 TRP 101 HE3 -0.08 -0.10 0.01 -0.04 7.59 7.38 1n75A1 TRP 101 HZ2 -0.04 -0.02 -0.04 -0.04 7.44 7.30 1n75A1 TRP 101 HZ3 -0.05 -0.09 -0.01 -0.04 7.13 6.94 1n75A1 TRP 101 HH2 -0.03 -0.06 0.02 -0.04 7.19 7.07 1n75A1 ALA 102 H 0.12 0.33 -0.17 -0.55 8.40 8.14 1n75A1 ALA 102 HA 0.14 0.16 0.68 -0.75 4.34 4.56 1n75A1 ALA 102 HB3 0.04 -0.03 -0.21 -0.04 1.41 1.16 1n75A1 TYR 103 H -0.13 0.47 0.23 -0.55 8.29 8.30 1n75A1 TYR 103 HA 0.02 0.12 0.60 -0.75 4.56 4.55 1n75A1 TYR 103 HB2 0.03 0.07 0.00 -0.04 3.06 3.13 1n75A1 TYR 103 HB3 0.01 0.16 -0.22 -0.04 2.98 2.90 1n75A1 TYR 103 HD2 0.05 0.12 -0.49 -0.04 7.15 6.79 1n75A1 TYR 103 HE2 0.15 -0.03 -0.25 -0.04 6.85 6.68 1n75A1 ARG 104 H 0.12 0.19 0.13 -0.55 8.46 8.34 1n75A1 ARG 104 HA -0.13 0.26 0.83 -0.75 4.34 4.55 1n75A1 ARG 104 HB2 -0.07 -0.03 0.06 -0.04 1.90 1.82 1n75A1 ARG 104 HB3 -0.72 0.05 -0.06 -0.04 1.80 1.02 1n75A1 ARG 104 HG2 -0.04 0.02 -0.13 -0.04 1.67 1.47 1n75A1 ARG 104 HG3 -0.01 -0.04 -0.06 -0.04 1.67 1.52 1n75A1 ARG 104 HD2 -0.07 0.04 -0.20 -0.04 3.22 2.94 1n75A1 ARG 104 HD3 -0.60 0.04 -0.11 -0.04 3.22 2.51 1n75A1 ALA 105 H -0.25 0.69 0.34 -0.55 8.40 8.63 1n75A1 ALA 105 HA 0.13 0.11 0.87 -0.75 4.34 4.70 1n75A1 ALA 105 HB3 -0.09 -0.02 -0.01 -0.04 1.41 1.25 1n75A1 PHE 106 H 0.37 0.13 0.10 -0.55 8.34 8.38 1n75A1 PHE 106 HA 0.08 0.32 0.91 -0.75 4.62 5.17 1n75A1 PHE 106 HB2 0.05 -0.07 0.03 -0.04 3.15 3.11 1n75A1 PHE 106 HB3 0.05 0.09 0.12 -0.04 3.06 3.28 1n75A1 PHE 106 HD2 0.05 0.05 -0.14 -0.04 7.28 7.21 1n75A1 PHE 106 HE2 -0.09 0.07 -0.21 -0.04 7.38 7.12 1n75A1 PHE 106 HZ -0.21 0.22 0.00 -0.04 7.32 7.29 1n75A1 GLU 107 H 0.08 -0.02 -0.16 -0.55 8.60 7.95 1n75A1 GLU 107 HA 0.11 0.03 0.39 -0.75 4.29 4.07 1n75A1 GLU 107 HB2 -0.02 -0.00 -0.00 -0.04 2.09 2.03 1n75A1 GLU 107 HB3 0.07 -0.02 -0.04 -0.04 1.99 1.96 1n75A1 GLU 107 HG2 0.25 0.00 -0.06 -0.04 2.34 2.48 1n75A1 GLU 107 HG3 0.16 0.05 -0.01 -0.04 2.34 2.50 1n75A1 THR 108 H 0.06 0.02 0.21 -0.55 8.28 8.02 1n75A1 THR 108 HA 0.03 0.29 0.59 -0.75 4.39 4.54 1n75A1 THR 108 HB 0.03 0.05 0.19 -0.04 4.32 4.55 1n75A1 THR 108 HG23 0.05 0.06 0.09 -0.04 1.22 1.37 1n75A1 PRO 109 HA 0.01 0.10 0.43 -0.51 4.44 4.46 1n75A1 PRO 109 HB2 0.01 0.02 0.07 -0.04 2.28 2.34 1n75A1 PRO 109 HB3 0.01 0.07 0.08 -0.04 2.02 2.13 1n75A1 PRO 109 HG2 0.00 0.09 0.09 -0.04 2.03 2.17 1n75A1 PRO 109 HG3 -0.00 0.07 0.07 -0.04 2.03 2.12 1n75A1 PRO 109 HD2 0.02 0.10 0.23 -0.04 3.68 3.99 1n75A1 PRO 109 HD3 0.01 0.23 0.22 -0.04 3.65 4.07 1n75A1 GLU 110 H 0.02 0.16 -0.15 -0.55 8.60 8.09 1n75A1 GLU 110 HA 0.02 0.13 0.42 -0.75 4.29 4.11 1n75A1 GLU 110 HB2 0.02 -0.02 0.05 -0.04 2.09 2.09 1n75A1 GLU 110 HB3 0.02 0.06 0.00 -0.04 1.99 2.04 1n75A1 GLU 110 HG2 0.02 0.07 0.02 -0.04 2.34 2.40 1n75A1 GLU 110 HG3 0.02 0.04 0.02 -0.04 2.34 2.37 1n75A1 GLU 111 H 0.04 0.06 -0.29 -0.55 8.60 7.86 1n75A1 GLU 111 HA 0.05 0.11 0.45 -0.75 4.29 4.15 1n75A1 GLU 111 HB2 0.06 0.02 0.17 -0.04 2.09 2.30 1n75A1 GLU 111 HB3 0.08 0.02 -0.00 -0.04 1.99 2.05 1n75A1 GLU 111 HG2 0.05 0.07 0.04 -0.04 2.34 2.46 1n75A1 GLU 111 HG3 0.04 -0.03 0.05 -0.04 2.34 2.36 1n75A1 LEU 112 H 0.04 0.59 -0.16 -0.55 8.37 8.29 1n75A1 LEU 112 HA 0.11 -0.03 0.37 -0.75 4.35 4.05 1n75A1 LEU 112 HB2 0.02 0.12 0.08 -0.04 1.64 1.81 1n75A1 LEU 112 HB3 0.03 -0.02 -0.03 -0.04 1.64 1.57 1n75A1 LEU 112 HG -0.01 0.11 -0.17 -0.04 1.64 1.53 1n75A1 LEU 112 HD13 -0.08 0.00 -0.10 -0.04 0.93 0.71 1n75A1 LEU 112 HD23 -0.07 -0.03 -0.04 -0.04 0.89 0.71 1n75A1 GLU 113 H 0.04 0.43 -0.33 -0.55 8.60 8.18 1n75A1 GLU 113 HA 0.03 0.03 0.41 -0.75 4.29 4.02 1n75A1 GLU 113 HB2 0.02 0.06 0.11 -0.04 2.09 2.25 1n75A1 GLU 113 HB3 0.03 0.11 0.13 -0.04 1.99 2.21 1n75A1 GLU 113 HG2 0.02 -0.01 -0.01 -0.04 2.34 2.29 1n75A1 GLU 113 HG3 0.02 0.01 -0.13 -0.04 2.34 2.20 1n75A1 GLN 114 H 0.04 0.41 -0.18 -0.55 8.47 8.20 1n75A1 GLN 114 HA 0.03 0.05 0.41 -0.75 4.36 4.10 1n75A1 GLN 114 HB2 0.03 0.05 0.14 -0.04 2.15 2.32 1n75A1 GLN 114 HB3 0.04 0.07 0.18 -0.04 2.02 2.27 1n75A1 GLN 114 HG2 0.02 -0.00 0.04 -0.04 2.40 2.41 1n75A1 GLN 114 HG3 0.02 -0.02 0.00 -0.04 2.39 2.36 1n75A1 GLN 114 HE21 0.02 0.00 -0.08 -0.04 6.97 6.87 1n75A1 GLN 114 HE22 0.02 0.02 -0.03 -0.04 7.69 7.65 1n75A1 ILE 115 H 0.07 0.55 -0.10 -0.55 8.25 8.22 1n75A1 ILE 115 HA 0.04 0.05 0.42 -0.75 4.18 3.93 1n75A1 ILE 115 HB 0.15 0.04 0.11 -0.04 1.89 2.15 1n75A1 ILE 115 HG12 0.06 0.00 0.03 -0.04 1.49 1.53 1n75A1 ILE 115 HG13 0.08 0.16 0.08 -0.04 1.21 1.49 1n75A1 ILE 115 HG23 0.04 0.00 -0.04 -0.04 0.93 0.89 1n75A1 ILE 115 HD13 0.19 -0.05 -0.08 -0.04 0.88 0.90 1n75A1 ARG 116 H 0.07 0.62 -0.22 -0.55 8.46 8.37 1n75A1 ARG 116 HA 0.06 -0.10 0.25 -0.75 4.34 3.79 1n75A1 ARG 116 HB2 0.06 0.08 0.08 -0.04 1.90 2.09 1n75A1 ARG 116 HB3 0.04 0.15 0.11 -0.04 1.80 2.06 1n75A1 ARG 116 HG2 0.03 0.04 -0.26 -0.04 1.67 1.44 1n75A1 ARG 116 HG3 0.05 -0.06 -0.10 -0.04 1.67 1.51 1n75A1 ARG 116 HD2 0.03 0.02 -0.07 -0.04 3.22 3.16 1n75A1 ARG 116 HD3 0.03 -0.01 -0.06 -0.04 3.22 3.14 1n75A1 LYS 117 H 0.03 0.48 -0.22 -0.55 8.42 8.15 1n75A1 LYS 117 HA 0.02 0.06 0.45 -0.75 4.32 4.09 1n75A1 LYS 117 HB2 0.02 0.08 0.11 -0.04 1.87 2.04 1n75A1 LYS 117 HB3 0.01 -0.03 0.03 -0.04 1.79 1.76 1n75A1 LYS 117 HG2 0.02 0.05 0.04 -0.04 1.46 1.53 1n75A1 LYS 117 HG3 0.02 -0.06 0.00 -0.04 1.46 1.38 1n75A1 LYS 117 HD2 0.01 -0.01 0.02 -0.04 1.69 1.67 1n75A1 LYS 117 HD3 0.02 0.03 -0.01 -0.04 1.68 1.68 1n75A1 LYS 117 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.92 1n75A1 LYS 117 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.94 1n75A1 GLU 118 H 0.02 0.27 -0.32 -0.55 8.60 8.03 1n75A1 GLU 118 HA 0.01 0.08 0.63 -0.75 4.29 4.25 1n75A1 GLU 118 HB2 0.01 -0.02 0.09 -0.04 2.09 2.14 1n75A1 GLU 118 HB3 0.01 -0.01 0.23 -0.04 1.99 2.18 1n75A1 GLU 118 HG2 -0.00 0.03 -0.26 -0.04 2.34 2.07 1n75A1 GLU 118 HG3 0.00 -0.02 0.03 -0.04 2.34 2.31 1n75A1 LYS 119 H 0.01 0.75 0.17 -0.55 8.42 8.80 1n75A1 LYS 119 HA -0.00 0.17 0.83 -0.75 4.32 4.56 1n75A1 LYS 119 HB2 -0.01 0.16 0.12 -0.04 1.87 2.11 1n75A1 LYS 119 HB3 -0.02 -0.01 0.05 -0.04 1.79 1.76 1n75A1 LYS 119 HG2 -0.01 -0.06 -0.00 -0.04 1.46 1.35 1n75A1 LYS 119 HG3 -0.05 -0.13 0.04 -0.04 1.46 1.28 1n75A1 LYS 119 HD2 -0.03 0.02 0.02 -0.04 1.69 1.66 1n75A1 LYS 119 HD3 -0.01 0.11 -0.11 -0.04 1.68 1.62 1n75A1 LYS 119 HE2 -0.04 -0.04 -0.00 -0.04 2.99 2.86 1n75A1 LYS 119 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 1n75A1 GLY 120 H 0.02 0.43 0.02 -0.55 8.43 8.35 1n75A1 GLY 120 HA2 0.02 0.03 0.33 -0.51 4.01 3.88 1n75A1 GLY 120 HA3 0.01 0.12 0.76 -0.51 4.01 4.40 1n75A1 GLY 121 H 0.03 0.25 -0.01 -0.55 8.43 8.15 1n75A1 GLY 121 HA2 0.07 -0.03 0.31 -0.51 4.01 3.85 1n75A1 GLY 121 HA3 0.05 0.16 0.37 -0.51 4.01 4.08 1n75A1 TYR 122 H 0.19 0.12 0.08 -0.55 8.29 8.13 1n75A1 TYR 122 HA 0.03 -0.00 0.43 -0.75 4.56 4.26 1n75A1 TYR 122 HB2 0.04 0.02 0.10 -0.04 3.06 3.18 1n75A1 TYR 122 HB3 0.04 0.06 0.10 -0.04 2.98 3.15 1n75A1 TYR 122 HD2 0.08 0.11 -0.01 -0.04 7.15 7.28 1n75A1 TYR 122 HE2 0.19 0.08 -0.04 -0.04 6.85 7.05 1n75A1 ASP 123 H -0.47 0.05 0.17 -0.55 8.40 7.59 1n75A1 ASP 123 HA -0.14 0.33 0.69 -0.75 4.63 4.76 1n75A1 ASP 123 HB2 -0.12 0.08 0.15 -0.04 2.71 2.77 1n75A1 ASP 123 HB3 -0.11 0.12 0.04 -0.04 2.70 2.71 1n75A1 GLY 124 H -1.16 0.02 -0.26 -0.55 8.43 6.48 1n75A1 GLY 124 HA2 0.12 0.01 0.24 -0.51 4.01 3.87 1n75A1 GLY 124 HA3 -0.10 0.24 0.36 -0.51 4.01 4.00 1n75A1 ARG 125 H -0.43 0.00 -0.27 -0.55 8.46 7.20 1n75A1 ARG 125 HA -0.10 0.19 0.30 -0.75 4.34 3.97 1n75A1 ARG 125 HB2 -0.02 0.06 0.03 -0.04 1.90 1.93 1n75A1 ARG 125 HB3 -0.10 0.07 0.03 -0.04 1.80 1.75 1n75A1 ARG 125 HG2 -0.15 -0.15 0.03 -0.04 1.67 1.36 1n75A1 ARG 125 HG3 0.12 0.02 -0.14 -0.04 1.67 1.63 1n75A1 ARG 125 HD2 0.11 -0.04 -0.04 -0.04 3.22 3.21 1n75A1 ARG 125 HD3 0.03 0.06 -0.04 -0.04 3.22 3.23 1n75A1 ALA 126 H 0.26 -0.01 -0.39 -0.55 8.40 7.71 1n75A1 ALA 126 HA 0.15 0.08 0.41 -0.75 4.34 4.22 1n75A1 ALA 126 HB3 0.45 0.03 0.07 -0.04 1.41 1.92 1n75A1 ARG 127 H -0.23 0.52 -0.40 -0.55 8.46 7.80 1n75A1 ARG 127 HA -0.39 0.07 0.46 -0.75 4.34 3.73 1n75A1 ARG 127 HB2 -0.29 0.11 0.06 -0.04 1.90 1.74 1n75A1 ARG 127 HB3 -0.30 0.02 0.04 -0.04 1.80 1.52 1n75A1 ARG 127 HG2 -0.98 0.03 -0.05 -0.04 1.67 0.63 1n75A1 ARG 127 HG3 -1.67 -0.19 -0.05 -0.04 1.67 -0.27 1n75A1 ARG 127 HD2 -0.27 -0.07 -0.01 -0.04 3.22 2.82 1n75A1 ARG 127 HD3 -0.27 0.08 0.09 -0.04 3.22 3.08 1n75A1 ASN 128 H -0.07 0.37 -0.33 -0.55 8.53 7.95 1n75A1 ASN 128 HA -0.06 0.17 0.63 -0.75 4.76 4.75 1n75A1 ASN 128 HB2 -0.03 0.06 0.08 -0.04 2.88 2.95 1n75A1 ASN 128 HB3 -0.04 -0.06 0.14 -0.04 2.79 2.80 1n75A1 ASN 128 HD21 -0.07 -0.00 -0.02 -0.04 7.03 6.90 1n75A1 ASN 128 HD22 -0.05 -0.03 0.04 -0.04 7.74 7.65 1n75A1 ILE 129 H 0.01 0.37 -0.49 -0.55 8.25 7.59 1n75A1 ILE 129 HA 0.00 0.06 0.61 -0.75 4.18 4.11 1n75A1 ILE 129 HB 0.10 0.16 0.10 -0.04 1.89 2.21 1n75A1 ILE 129 HG12 0.04 -0.02 -0.01 -0.04 1.49 1.46 1n75A1 ILE 129 HG13 0.08 -0.05 0.03 -0.04 1.21 1.23 1n75A1 ILE 129 HG23 0.01 0.00 -0.13 -0.04 0.93 0.78 1n75A1 ILE 129 HD13 0.19 -0.00 0.03 -0.04 0.88 1.06 1n75A1 PRO 130 HA -0.01 0.20 0.46 -0.51 4.44 4.57 1n75A1 PRO 130 HB2 -0.01 -0.19 0.13 -0.04 2.28 2.17 1n75A1 PRO 130 HB3 -0.01 0.05 0.11 -0.04 2.02 2.13 1n75A1 PRO 130 HG2 -0.02 0.01 0.10 -0.04 2.03 2.08 1n75A1 PRO 130 HG3 -0.02 0.12 0.09 -0.04 2.03 2.19 1n75A1 PRO 130 HD2 -0.02 0.00 0.21 -0.04 3.68 3.84 1n75A1 PRO 130 HD3 -0.01 0.31 0.28 -0.04 3.65 4.19 1n75A1 PRO 131 HA 0.04 0.10 0.45 -0.51 4.44 4.52 1n75A1 PRO 131 HB2 0.01 -0.05 0.13 -0.04 2.28 2.33 1n75A1 PRO 131 HB3 0.02 0.10 0.12 -0.04 2.02 2.22 1n75A1 PRO 131 HG2 -0.01 0.07 0.14 -0.04 2.03 2.18 1n75A1 PRO 131 HG3 0.00 0.16 0.17 -0.04 2.03 2.32 1n75A1 PRO 131 HD2 -0.01 0.02 0.24 -0.04 3.68 3.89 1n75A1 PRO 131 HD3 -0.01 0.26 0.27 -0.04 3.65 4.12 1n75A1 GLU 132 H 0.00 0.16 -0.14 -0.55 8.60 8.08 1n75A1 GLU 132 HA 0.01 0.09 0.41 -0.75 4.29 4.05 1n75A1 GLU 132 HB2 0.00 0.03 0.08 -0.04 2.09 2.15 1n75A1 GLU 132 HB3 0.00 0.04 0.09 -0.04 1.99 2.08 1n75A1 GLU 132 HG2 -0.01 -0.05 -0.02 -0.04 2.34 2.21 1n75A1 GLU 132 HG3 -0.01 0.03 -0.33 -0.04 2.34 1.99 1n75A1 GLU 133 H -0.00 0.26 -0.39 -0.55 8.60 7.92 1n75A1 GLU 133 HA -0.03 0.04 0.48 -0.75 4.29 4.03 1n75A1 GLU 133 HB2 -0.02 -0.06 0.11 -0.04 2.09 2.08 1n75A1 GLU 133 HB3 -0.03 0.12 0.02 -0.04 1.99 2.05 1n75A1 GLU 133 HG2 -0.08 -0.02 -0.00 -0.04 2.34 2.19 1n75A1 GLU 133 HG3 -0.04 -0.02 0.05 -0.04 2.34 2.28 1n75A1 ALA 134 H 0.03 0.51 -0.14 -0.55 8.40 8.25 1n75A1 ALA 134 HA 0.05 0.01 0.40 -0.75 4.34 4.05 1n75A1 ALA 134 HB3 0.17 0.04 0.07 -0.04 1.41 1.65 1n75A1 GLU 135 H 0.04 0.52 -0.13 -0.55 8.60 8.49 1n75A1 GLU 135 HA 0.04 0.04 0.42 -0.75 4.29 4.03 1n75A1 GLU 135 HB2 0.02 0.07 0.12 -0.04 2.09 2.26 1n75A1 GLU 135 HB3 0.02 -0.03 -0.00 -0.04 1.99 1.95 1n75A1 GLU 135 HG2 0.03 0.19 0.04 -0.04 2.34 2.56 1n75A1 GLU 135 HG3 0.02 -0.01 -0.02 -0.04 2.34 2.29 1n75A1 GLU 136 H 0.00 0.44 -0.24 -0.55 8.60 8.26 1n75A1 GLU 136 HA 0.01 0.03 0.41 -0.75 4.29 3.98 1n75A1 GLU 136 HB2 -0.01 0.04 0.13 -0.04 2.09 2.21 1n75A1 GLU 136 HB3 -0.03 0.08 0.17 -0.04 1.99 2.17 1n75A1 GLU 136 HG2 -0.02 -0.03 -0.02 -0.04 2.34 2.23 1n75A1 GLU 136 HG3 -0.02 0.00 -0.23 -0.04 2.34 2.05 1n75A1 ARG 137 H -0.06 0.56 -0.15 -0.55 8.46 8.25 1n75A1 ARG 137 HA -0.07 0.01 0.40 -0.75 4.34 3.93 1n75A1 ARG 137 HB2 -0.46 0.11 0.10 -0.04 1.90 1.61 1n75A1 ARG 137 HB3 -0.45 -0.05 -0.00 -0.04 1.80 1.26 1n75A1 ARG 137 HG2 -0.21 -0.06 0.02 -0.04 1.67 1.38 1n75A1 ARG 137 HG3 -0.19 0.19 0.10 -0.04 1.67 1.73 1n75A1 ARG 137 HD2 -0.27 -0.06 -0.05 -0.04 3.22 2.80 1n75A1 ARG 137 HD3 -0.57 0.01 -0.09 -0.04 3.22 2.53 1n75A1 ALA 138 H 0.09 0.46 -0.29 -0.55 8.40 8.11 1n75A1 ALA 138 HA 0.20 0.14 0.39 -0.75 4.34 4.32 1n75A1 ALA 138 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 1n75A1 ARG 139 H 0.05 0.67 -0.06 -0.55 8.46 8.57 1n75A1 ARG 139 HA 0.05 -0.00 0.38 -0.75 4.34 4.01 1n75A1 ARG 139 HB2 0.03 0.03 0.12 -0.04 1.90 2.04 1n75A1 ARG 139 HB3 0.02 0.10 0.15 -0.04 1.80 2.03 1n75A1 ARG 139 HG2 0.02 -0.01 -0.10 -0.04 1.67 1.54 1n75A1 ARG 139 HG3 0.03 -0.03 0.08 -0.04 1.67 1.70 1n75A1 ARG 139 HD2 0.01 -0.04 -0.01 -0.04 3.22 3.14 1n75A1 ARG 139 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.18 1n75A1 ARG 140 H 0.04 0.38 -0.47 -0.55 8.46 7.86 1n75A1 ARG 140 HA 0.03 0.04 0.54 -0.75 4.34 4.18 1n75A1 ARG 140 HB2 0.01 0.07 0.10 -0.04 1.90 2.04 1n75A1 ARG 140 HB3 0.01 -0.08 0.14 -0.04 1.80 1.82 1n75A1 ARG 140 HG2 0.01 -0.05 -0.00 -0.04 1.67 1.58 1n75A1 ARG 140 HG3 0.00 0.28 0.03 -0.04 1.67 1.94 1n75A1 ARG 140 HD2 -0.02 -0.02 -0.05 -0.04 3.22 3.08 1n75A1 ARG 140 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.13 1n75A1 GLY 141 H 0.09 0.60 -0.57 -0.55 8.43 8.00 1n75A1 GLY 141 HA2 0.09 0.03 0.25 -0.51 4.01 3.87 1n75A1 GLY 141 HA3 0.06 0.02 0.53 -0.51 4.01 4.12 1n75A1 GLU 142 H 0.14 0.46 -0.01 -0.55 8.60 8.63 1n75A1 GLU 142 HA 0.13 0.04 0.47 -0.75 4.29 4.17 1n75A1 GLU 142 HB2 0.07 0.03 0.06 -0.04 2.09 2.21 1n75A1 GLU 142 HB3 0.35 -0.07 -0.12 -0.04 1.99 2.11 1n75A1 GLU 142 HG2 0.27 0.13 -0.03 -0.04 2.34 2.67 1n75A1 GLU 142 HG3 0.09 -0.04 0.04 -0.04 2.34 2.39 1n75A1 PRO 143 HA 0.05 0.07 0.48 -0.51 4.44 4.53 1n75A1 PRO 143 HB2 0.07 -0.04 0.05 -0.04 2.28 2.32 1n75A1 PRO 143 HB3 0.02 -0.02 0.11 -0.04 2.02 2.08 1n75A1 PRO 143 HG2 0.05 -0.06 0.11 -0.04 2.03 2.10 1n75A1 PRO 143 HG3 0.05 0.11 0.13 -0.04 2.03 2.28 1n75A1 PRO 143 HD2 0.12 0.01 0.22 -0.04 3.68 3.99 1n75A1 PRO 143 HD3 0.09 0.22 0.32 -0.04 3.65 4.25 1n75A1 HIS 144 H -0.25 0.27 0.27 -0.55 8.41 8.15 1n75A1 HIS 144 HA -0.17 0.10 0.54 -0.75 4.63 4.35 1n75A1 HIS 144 HB2 -0.77 -0.04 -0.07 -0.04 3.26 2.34 1n75A1 HIS 144 HB3 -0.73 0.13 -0.39 -0.04 3.20 2.17 1n75A1 HIS 144 HD2 -0.26 0.03 -0.37 -0.04 6.97 6.33 1n75A1 HIS 144 HE1 0.02 0.03 -0.07 -0.04 7.75 7.69 1n75A1 VAL 145 H -0.15 0.49 0.35 -0.55 8.24 8.38 1n75A1 VAL 145 HA -0.17 0.27 0.83 -0.75 4.13 4.30 1n75A1 VAL 145 HB -0.12 0.03 0.11 -0.04 2.12 2.10 1n75A1 VAL 145 HG13 -0.11 -0.05 -0.06 -0.04 0.97 0.71 1n75A1 VAL 145 HG23 -0.19 0.02 -0.07 -0.04 0.95 0.67 1n75A1 ILE 146 H -0.09 0.47 0.31 -0.55 8.25 8.39 1n75A1 ILE 146 HA -0.13 0.34 0.99 -0.75 4.18 4.62 1n75A1 ILE 146 HB -0.03 -0.14 0.16 -0.04 1.89 1.84 1n75A1 ILE 146 HG12 0.03 0.04 -0.20 -0.04 1.49 1.33 1n75A1 ILE 146 HG13 0.03 -0.03 -0.33 -0.04 1.21 0.85 1n75A1 ILE 146 HG23 -0.02 0.02 -0.19 -0.04 0.93 0.69 1n75A1 ILE 146 HD13 0.06 0.01 -0.16 -0.04 0.88 0.75 1n75A1 ARG 147 H -0.46 0.70 0.28 -0.55 8.46 8.43 1n75A1 ARG 147 HA -0.16 0.15 0.98 -0.75 4.34 4.56 1n75A1 ARG 147 HB2 -1.11 -0.03 -0.06 -0.04 1.90 0.66 1n75A1 ARG 147 HB3 -0.24 0.21 -0.12 -0.04 1.80 1.61 1n75A1 ARG 147 HG2 -0.17 0.00 -0.26 -0.04 1.67 1.21 1n75A1 ARG 147 HG3 -0.29 -0.14 -0.30 -0.04 1.67 0.89 1n75A1 ARG 147 HD2 -0.24 -0.06 -0.11 -0.04 3.22 2.76 1n75A1 ARG 147 HD3 0.02 0.14 -0.03 -0.04 3.22 3.31 1n75A1 LEU 148 H -0.04 0.54 0.04 -0.55 8.37 8.37 1n75A1 LEU 148 HA 0.06 0.19 0.58 -0.75 4.35 4.42 1n75A1 LEU 148 HB2 0.00 -0.05 0.02 -0.04 1.64 1.58 1n75A1 LEU 148 HB3 0.02 -0.12 0.12 -0.04 1.64 1.62 1n75A1 LEU 148 HG 0.15 0.01 -0.41 -0.04 1.64 1.34 1n75A1 LEU 148 HD13 0.08 0.06 -0.06 -0.04 0.93 0.97 1n75A1 LEU 148 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.80 1n75A1 LYS 149 H 0.22 0.74 -0.01 -0.55 8.42 8.82 1n75A1 LYS 149 HA 0.29 0.05 0.69 -0.75 4.32 4.59 1n75A1 LYS 149 HB2 0.31 -0.10 -0.31 -0.04 1.87 1.73 1n75A1 LYS 149 HB3 0.05 0.06 -0.11 -0.04 1.79 1.75 1n75A1 LYS 149 HG2 -0.16 0.04 -0.08 -0.04 1.46 1.21 1n75A1 LYS 149 HG3 -0.06 -0.00 -0.14 -0.04 1.46 1.22 1n75A1 LYS 149 HD2 -0.17 -0.03 -0.03 -0.04 1.69 1.43 1n75A1 LYS 149 HD3 -0.23 -0.12 -0.09 -0.04 1.68 1.20 1n75A1 LYS 149 HE2 0.05 -0.08 -0.25 -0.04 2.99 2.67 1n75A1 LYS 149 HE3 -0.13 0.41 0.08 -0.04 2.99 3.32 1n75A1 VAL 150 H 0.12 0.15 -0.15 -0.55 8.24 7.81 1n75A1 VAL 150 HA 0.15 0.07 0.29 -0.75 4.13 3.89 1n75A1 VAL 150 HB 0.05 -0.05 -0.11 -0.04 2.12 1.97 1n75A1 VAL 150 HG13 0.04 0.06 -0.20 -0.04 0.97 0.84 1n75A1 VAL 150 HG23 0.06 0.01 -0.22 -0.04 0.95 0.76 1n75A1 PRO 151 HA -0.14 0.07 0.46 -0.51 4.44 4.32 1n75A1 PRO 151 HB2 -0.00 -0.08 0.02 -0.04 2.28 2.17 1n75A1 PRO 151 HB3 -0.10 0.05 0.04 -0.04 2.02 1.97 1n75A1 PRO 151 HG2 0.12 -0.01 0.06 -0.04 2.03 2.16 1n75A1 PRO 151 HG3 -0.38 0.13 0.05 -0.04 2.03 1.79 1n75A1 PRO 151 HD2 0.13 -0.00 0.12 -0.04 3.68 3.89 1n75A1 PRO 151 HD3 0.24 0.16 0.18 -0.04 3.65 4.20 1n75A1 ARG 152 H -0.08 0.23 0.12 -0.55 8.46 8.18 1n75A1 ARG 152 HA -0.02 0.00 0.77 -0.75 4.34 4.34 1n75A1 ARG 152 HB2 -0.06 0.04 0.10 -0.04 1.90 1.94 1n75A1 ARG 152 HB3 -0.04 -0.04 -0.05 -0.04 1.80 1.64 1n75A1 ARG 152 HG2 -0.03 -0.03 -0.09 -0.04 1.67 1.47 1n75A1 ARG 152 HG3 -0.02 -0.06 -0.11 -0.04 1.67 1.44 1n75A1 ARG 152 HD2 -0.00 0.07 -0.70 -0.04 3.22 2.54 1n75A1 ARG 152 HD3 -0.03 0.32 -0.35 -0.04 3.22 3.12 1n75A1 PRO 153 HA -0.01 0.08 0.36 -0.51 4.44 4.35 1n75A1 PRO 153 HB2 -0.01 -0.02 0.07 -0.04 2.28 2.29 1n75A1 PRO 153 HB3 -0.01 0.01 0.08 -0.04 2.02 2.06 1n75A1 PRO 153 HG2 -0.01 0.03 -0.06 -0.04 2.03 1.94 1n75A1 PRO 153 HG3 -0.02 0.01 0.04 -0.04 2.03 2.02 1n75A1 PRO 153 HD2 -0.03 0.11 0.40 -0.04 3.68 4.11 1n75A1 PRO 153 HD3 -0.03 0.07 0.06 -0.04 3.65 3.71 1n75A1 GLY 154 H 0.01 0.16 0.23 -0.55 8.43 8.28 1n75A1 GLY 154 HA2 0.01 0.04 0.32 -0.51 4.01 3.87 1n75A1 GLY 154 HA3 0.02 0.22 0.46 -0.51 4.01 4.19 1n75A1 THR 155 H 0.04 0.34 0.25 -0.55 8.28 8.36 1n75A1 THR 155 HA 0.06 0.08 0.93 -0.75 4.39 4.71 1n75A1 THR 155 HB 0.04 0.10 0.05 -0.04 4.32 4.47 1n75A1 THR 155 HG23 0.02 -0.05 -0.16 -0.04 1.22 0.99 1n75A1 THR 156 H 0.11 0.57 0.24 -0.55 8.28 8.65 1n75A1 THR 156 HA 0.08 0.18 0.92 -0.75 4.39 4.81 1n75A1 THR 156 HB 0.07 -0.07 0.04 -0.04 4.32 4.31 1n75A1 THR 156 HG23 0.04 0.04 -0.12 -0.04 1.22 1.13 1n75A1 GLU 157 H 0.07 0.21 0.15 -0.55 8.60 8.49 1n75A1 GLU 157 HA 0.09 0.27 1.02 -0.75 4.29 4.91 1n75A1 GLU 157 HB2 0.05 0.02 0.09 -0.04 2.09 2.20 1n75A1 GLU 157 HB3 0.04 0.00 -0.03 -0.04 1.99 1.96 1n75A1 GLU 157 HG2 0.04 -0.03 -0.18 -0.04 2.34 2.13 1n75A1 GLU 157 HG3 0.04 0.01 -0.07 -0.04 2.34 2.29 1n75A1 VAL 158 H 0.10 0.60 0.37 -0.55 8.24 8.75 1n75A1 VAL 158 HA 0.08 0.20 0.95 -0.75 4.13 4.61 1n75A1 VAL 158 HB 0.21 -0.01 0.04 -0.04 2.12 2.32 1n75A1 VAL 158 HG13 -0.03 -0.00 -0.22 -0.04 0.97 0.68 1n75A1 VAL 158 HG23 0.05 0.01 -0.34 -0.04 0.95 0.62 1n75A1 LYS 159 H 0.10 0.24 0.12 -0.55 8.42 8.33 1n75A1 LYS 159 HA 0.03 0.28 1.09 -0.75 4.32 4.95 1n75A1 LYS 159 HB2 0.02 -0.02 -0.13 -0.04 1.87 1.70 1n75A1 LYS 159 HB3 0.04 0.03 0.06 -0.04 1.79 1.89 1n75A1 LYS 159 HG2 -0.04 -0.04 -0.63 -0.04 1.46 0.70 1n75A1 LYS 159 HG3 -0.02 -0.03 -0.26 -0.04 1.46 1.11 1n75A1 LYS 159 HD2 -0.01 -0.01 -0.09 -0.04 1.69 1.53 1n75A1 LYS 159 HD3 -0.03 0.02 -0.10 -0.04 1.68 1.52 1n75A1 LYS 159 HE2 -0.08 0.00 -0.13 -0.04 2.99 2.75 1n75A1 LYS 159 HE3 -0.03 -0.02 -0.09 -0.04 2.99 2.80 1n75A1 ASP 160 H 0.01 0.59 0.21 -0.55 8.40 8.66 1n75A1 ASP 160 HA 0.06 0.24 0.88 -0.75 4.63 5.05 1n75A1 ASP 160 HB2 0.10 0.05 0.06 -0.04 2.71 2.88 1n75A1 ASP 160 HB3 0.02 0.03 0.23 -0.04 2.70 2.94 1n75A1 GLU 161 H -0.37 0.80 0.35 -0.55 8.60 8.84 1n75A1 GLU 161 HA -0.22 0.06 0.36 -0.75 4.29 3.74 1n75A1 GLU 161 HB2 -1.22 -0.01 0.07 -0.04 2.09 0.89 1n75A1 GLU 161 HB3 -0.54 0.02 0.06 -0.04 1.99 1.49 1n75A1 GLU 161 HG2 -0.70 0.09 0.13 -0.04 2.34 1.82 1n75A1 GLU 161 HG3 -1.33 -0.00 -0.04 -0.04 2.34 0.92 1n75A1 LEU 162 H -0.14 -0.06 -0.26 -0.55 8.37 7.36 1n75A1 LEU 162 HA -0.04 0.27 0.87 -0.75 4.35 4.69 1n75A1 LEU 162 HB2 0.00 -0.05 0.04 -0.04 1.64 1.59 1n75A1 LEU 162 HB3 0.04 0.12 0.08 -0.04 1.64 1.85 1n75A1 LEU 162 HG -0.19 -0.18 -0.00 -0.04 1.64 1.23 1n75A1 LEU 162 HD13 0.11 0.06 -0.05 -0.04 0.93 1.01 1n75A1 LEU 162 HD23 -0.07 0.05 -0.12 -0.04 0.89 0.71 1n75A1 ARG 163 H -0.03 -0.02 -0.04 -0.55 8.46 7.82 1n75A1 ARG 163 HA -0.00 0.24 0.96 -0.75 4.34 4.78 1n75A1 ARG 163 HB2 -0.00 -0.01 0.06 -0.04 1.90 1.91 1n75A1 ARG 163 HB3 -0.01 0.01 0.05 -0.04 1.80 1.81 1n75A1 ARG 163 HG2 0.01 0.07 -0.07 -0.04 1.67 1.64 1n75A1 ARG 163 HG3 0.02 -0.12 -0.21 -0.04 1.67 1.31 1n75A1 ARG 163 HD2 0.02 -0.07 0.01 -0.04 3.22 3.14 1n75A1 ARG 163 HD3 0.00 0.01 -0.01 -0.04 3.22 3.17 1n75A1 GLY 164 H -0.03 0.49 0.20 -0.55 8.43 8.54 1n75A1 GLY 164 HA2 -0.02 0.02 0.31 -0.51 4.01 3.81 1n75A1 GLY 164 HA3 -0.02 0.23 0.93 -0.51 4.01 4.64 1n75A1 VAL 165 H -0.02 0.12 0.16 -0.55 8.24 7.95 1n75A1 VAL 165 HA -0.00 0.23 0.75 -0.75 4.13 4.35 1n75A1 VAL 165 HB -0.01 -0.01 0.07 -0.04 2.12 2.12 1n75A1 VAL 165 HG13 0.00 -0.01 -0.25 -0.04 0.97 0.66 1n75A1 VAL 165 HG23 0.00 -0.01 -0.05 -0.04 0.95 0.85 1n75A1 VAL 166 H -0.01 0.67 0.40 -0.55 8.24 8.75 1n75A1 VAL 166 HA -0.13 0.17 0.95 -0.75 4.13 4.36 1n75A1 VAL 166 HB -0.09 -0.01 0.13 -0.04 2.12 2.11 1n75A1 VAL 166 HG13 -0.74 -0.02 -0.23 -0.04 0.97 -0.06 1n75A1 VAL 166 HG23 -0.10 0.02 -0.16 -0.04 0.95 0.67 1n75A1 VAL 167 H -0.14 0.20 0.11 -0.55 8.24 7.86 1n75A1 VAL 167 HA -0.01 0.15 0.86 -0.75 4.13 4.38 1n75A1 VAL 167 HB -0.06 -0.01 0.14 -0.04 2.12 2.15 1n75A1 VAL 167 HG13 0.00 -0.00 -0.20 -0.04 0.97 0.73 1n75A1 VAL 167 HG23 -0.02 0.00 -0.10 -0.04 0.95 0.79 1n75A1 TYR 168 H 0.16 0.74 0.29 -0.55 8.29 8.94 1n75A1 TYR 168 HA -0.01 0.11 0.81 -0.75 4.56 4.72 1n75A1 TYR 168 HB2 -0.01 0.08 0.15 -0.04 3.06 3.24 1n75A1 TYR 168 HB3 -0.01 0.07 -0.09 -0.04 2.98 2.90 1n75A1 TYR 168 HD2 -0.02 0.08 -0.01 -0.04 7.15 7.16 1n75A1 TYR 168 HE2 -0.05 -0.01 -0.04 -0.04 6.85 6.71 1n75A1 ASP 169 H 0.09 0.17 0.20 -0.55 8.40 8.31 1n75A1 ASP 169 HA 0.05 0.17 0.78 -0.75 4.63 4.87 1n75A1 ASP 169 HB2 0.02 0.07 0.14 -0.04 2.71 2.90 1n75A1 ASP 169 HB3 0.04 -0.03 0.19 -0.04 2.70 2.85 1n75A1 ASN 170 H 0.04 0.78 0.32 -0.55 8.53 9.13 1n75A1 ASN 170 HA 0.04 0.03 0.29 -0.75 4.76 4.36 1n75A1 ASN 170 HB2 0.02 -0.04 0.05 -0.04 2.88 2.87 1n75A1 ASN 170 HB3 0.02 0.11 -0.05 -0.04 2.79 2.83 1n75A1 ASN 170 HD21 0.07 -0.01 -0.15 -0.04 7.03 6.89 1n75A1 ASN 170 HD22 0.03 0.59 -0.08 -0.04 7.74 8.25 1n75A1 GLN 171 H 0.03 0.00 -0.46 -0.55 8.47 7.49 1n75A1 GLN 171 HA 0.01 0.13 0.32 -0.75 4.36 4.07 1n75A1 GLN 171 HB2 0.02 -0.07 0.00 -0.04 2.15 2.06 1n75A1 GLN 171 HB3 0.01 0.04 -0.03 -0.04 2.02 2.01 1n75A1 GLN 171 HG2 0.00 0.06 0.02 -0.04 2.40 2.44 1n75A1 GLN 171 HG3 0.01 -0.07 0.04 -0.04 2.39 2.32 1n75A1 GLN 171 HE21 -0.00 0.00 0.01 -0.04 6.97 6.94 1n75A1 GLN 171 HE22 0.00 -0.03 0.03 -0.04 7.69 7.65 1n75A1 GLU 172 H 0.05 0.51 -0.36 -0.55 8.60 8.25 1n75A1 GLU 172 HA 0.03 0.10 0.55 -0.75 4.29 4.21 1n75A1 GLU 172 HB2 0.11 0.02 -0.02 -0.04 2.09 2.15 1n75A1 GLU 172 HB3 0.08 -0.04 0.11 -0.04 1.99 2.11 1n75A1 GLU 172 HG2 0.05 -0.03 0.00 -0.04 2.34 2.33 1n75A1 GLU 172 HG3 0.09 0.27 0.19 -0.04 2.34 2.85 1n75A1 ILE 173 H 0.01 0.47 -0.38 -0.55 8.25 7.79 1n75A1 ILE 173 HA -0.06 0.13 0.83 -0.75 4.18 4.32 1n75A1 ILE 173 HB -0.02 0.09 0.10 -0.04 1.89 2.02 1n75A1 ILE 173 HG12 -0.20 -0.00 -0.15 -0.04 1.49 1.09 1n75A1 ILE 173 HG13 -0.05 -0.06 -0.18 -0.04 1.21 0.88 1n75A1 ILE 173 HG23 -0.08 0.02 -0.13 -0.04 0.93 0.70 1n75A1 ILE 173 HD13 -0.07 -0.02 -0.16 -0.04 0.88 0.60 1n75A1 PRO 174 HA 0.04 0.20 0.53 -0.51 4.44 4.70 1n75A1 PRO 174 HB2 0.06 -0.07 -0.06 -0.04 2.28 2.17 1n75A1 PRO 174 HB3 0.04 0.09 0.01 -0.04 2.02 2.12 1n75A1 PRO 174 HG2 -0.01 -0.10 0.00 -0.04 2.03 1.88 1n75A1 PRO 174 HG3 0.02 0.02 0.04 -0.04 2.03 2.07 1n75A1 PRO 174 HD2 -0.05 0.03 0.24 -0.04 3.68 3.86 1n75A1 PRO 174 HD3 -0.01 0.32 0.12 -0.04 3.65 4.05 1n75A1 ASP 175 H 0.12 0.16 0.04 -0.55 8.40 8.16 1n75A1 ASP 175 HA 0.10 0.21 0.61 -0.75 4.63 4.80 1n75A1 ASP 175 HB2 0.29 -0.16 0.16 -0.04 2.71 2.97 1n75A1 ASP 175 HB3 0.25 0.01 0.12 -0.04 2.70 3.04 1n75A1 VAL 176 H -0.00 0.48 -0.14 -0.55 8.24 8.03 1n75A1 VAL 176 HA 0.02 -0.02 0.25 -0.75 4.13 3.63 1n75A1 VAL 176 HB 0.07 -0.01 0.03 -0.04 2.12 2.17 1n75A1 VAL 176 HG13 -0.09 0.05 0.00 -0.04 0.97 0.89 1n75A1 VAL 176 HG23 -0.13 0.01 -0.08 -0.04 0.95 0.70 1n75A1 VAL 177 H 0.02 0.06 0.15 -0.55 8.24 7.93 1n75A1 VAL 177 HA -0.08 0.16 0.53 -0.75 4.13 3.99 1n75A1 VAL 177 HB 0.00 -0.06 0.07 -0.04 2.12 2.09 1n75A1 VAL 177 HG13 -0.05 -0.02 -0.25 -0.04 0.97 0.61 1n75A1 VAL 177 HG23 -0.08 0.01 0.00 -0.04 0.95 0.84 1n75A1 LEU 178 H -0.04 0.84 0.45 -0.55 8.37 9.07 1n75A1 LEU 178 HA 0.04 -0.01 0.84 -0.75 4.35 4.46 1n75A1 LEU 178 HB2 -0.01 0.11 0.02 -0.04 1.64 1.72 1n75A1 LEU 178 HB3 0.02 -0.05 -0.03 -0.04 1.64 1.55 1n75A1 LEU 178 HG -0.02 0.08 -0.19 -0.04 1.64 1.48 1n75A1 LEU 178 HD13 -0.02 0.03 -0.20 -0.04 0.93 0.70 1n75A1 LEU 178 HD23 0.03 -0.01 -0.17 -0.04 0.89 0.70 1n75A1 LEU 179 H -0.03 0.35 0.29 -0.55 8.37 8.43 1n75A1 LEU 179 HA 0.00 0.16 0.88 -0.75 4.35 4.63 1n75A1 LEU 179 HB2 0.02 -0.00 -0.10 -0.04 1.64 1.52 1n75A1 LEU 179 HB3 -0.02 -0.05 0.09 -0.04 1.64 1.61 1n75A1 LEU 179 HG -0.00 0.09 -0.23 -0.04 1.64 1.46 1n75A1 LEU 179 HD13 0.06 0.04 -0.30 -0.04 0.93 0.68 1n75A1 LEU 179 HD23 0.02 0.01 -0.08 -0.04 0.89 0.80 1n75A1 LYS 180 H 0.01 0.84 0.21 -0.55 8.42 8.93 1n75A1 LYS 180 HA -0.05 0.06 0.55 -0.75 4.32 4.12 1n75A1 LYS 180 HB2 0.04 0.00 0.09 -0.04 1.87 1.96 1n75A1 LYS 180 HB3 -0.02 -0.08 0.12 -0.04 1.79 1.76 1n75A1 LYS 180 HG2 -0.02 -0.02 -0.09 -0.04 1.46 1.28 1n75A1 LYS 180 HG3 -0.00 0.04 -0.20 -0.04 1.46 1.26 1n75A1 LYS 180 HD2 -0.03 -0.03 -0.05 -0.04 1.69 1.54 1n75A1 LYS 180 HD3 -0.02 -0.04 -0.12 -0.04 1.68 1.47 1n75A1 LYS 180 HE2 0.03 0.22 -0.50 -0.04 2.99 2.70 1n75A1 LYS 180 HE3 0.07 -0.08 -0.16 -0.04 2.99 2.78 1n75A1 SER 181 H -0.07 0.10 0.16 -0.55 8.46 8.10 1n75A1 SER 181 HA -0.18 0.45 0.55 -0.75 4.49 4.55 1n75A1 SER 181 HB2 -0.08 0.01 0.14 -0.04 3.95 3.98 1n75A1 SER 181 HB3 -0.10 0.01 0.00 -0.04 3.93 3.80 1n75A1 ASP 182 H -0.00 -0.06 -0.39 -0.55 8.40 7.39 1n75A1 ASP 182 HA 0.02 0.24 0.69 -0.75 4.63 4.83 1n75A1 ASP 182 HB2 0.04 0.06 0.14 -0.04 2.71 2.92 1n75A1 ASP 182 HB3 -0.02 -0.00 0.04 -0.04 2.70 2.67 1n75A1 GLY 183 H 0.02 0.52 -0.36 -0.55 8.43 8.06 1n75A1 GLY 183 HA2 0.00 0.07 0.24 -0.51 4.01 3.81 1n75A1 GLY 183 HA3 0.03 0.15 0.58 -0.51 4.01 4.26 1n75A1 TYR 184 H 0.29 -0.08 -0.32 -0.55 8.29 7.64 1n75A1 TYR 184 HA 0.02 0.20 0.66 -0.75 4.56 4.69 1n75A1 TYR 184 HB2 -0.02 -0.14 0.01 -0.04 3.06 2.86 1n75A1 TYR 184 HB3 -0.03 0.08 -0.01 -0.04 2.98 2.98 1n75A1 TYR 184 HD2 -0.01 -0.05 -0.10 -0.04 7.15 6.95 1n75A1 TYR 184 HE2 -0.01 0.03 0.05 -0.04 6.85 6.88 1n75A1 PRO 185 HA -0.03 0.23 0.80 -0.51 4.44 4.92 1n75A1 PRO 185 HB2 -0.33 0.03 0.10 -0.04 2.28 2.04 1n75A1 PRO 185 HB3 -0.15 0.06 0.08 -0.04 2.02 1.96 1n75A1 PRO 185 HG2 -0.36 -0.07 -0.05 -0.04 2.03 1.51 1n75A1 PRO 185 HG3 -1.18 0.05 0.03 -0.04 2.03 0.89 1n75A1 PRO 185 HD2 0.01 0.02 0.20 -0.04 3.68 3.86 1n75A1 PRO 185 HD3 0.00 0.24 0.23 -0.04 3.65 4.08 1n75A1 THR 186 H -0.05 0.54 0.26 -0.55 8.28 8.48 1n75A1 THR 186 HA -0.04 0.14 0.68 -0.75 4.39 4.42 1n75A1 THR 186 HB -0.05 -0.09 0.15 -0.04 4.32 4.29 1n75A1 THR 186 HG23 0.01 0.03 -0.21 -0.04 1.22 1.01 1n75A1 TYR 187 H -0.07 0.19 0.13 -0.55 8.29 7.99 1n75A1 TYR 187 HA -0.22 0.05 0.35 -0.75 4.56 3.98 1n75A1 TYR 187 HB2 -0.29 0.01 0.11 -0.04 3.06 2.85 1n75A1 TYR 187 HB3 -0.44 0.02 0.09 -0.04 2.98 2.61 1n75A1 TYR 187 HD2 -0.28 -0.01 -0.08 -0.04 7.15 6.74 1n75A1 TYR 187 HE2 -0.20 0.05 -0.06 -0.04 6.85 6.60 1n75A1 HIS 188 H -0.27 0.08 -0.24 -0.55 8.41 7.43 1n75A1 HIS 188 HA -0.09 0.09 0.33 -0.75 4.63 4.20 1n75A1 HIS 188 HB2 0.02 0.02 0.03 -0.04 3.26 3.28 1n75A1 HIS 188 HB3 0.09 0.10 -0.08 -0.04 3.20 3.26 1n75A1 HIS 188 HD2 0.04 0.10 0.02 -0.04 6.97 7.10 1n75A1 HIS 188 HE1 0.15 0.02 0.02 -0.04 7.75 7.89 1n75A1 LEU 189 H -0.02 0.11 -0.17 -0.55 8.37 7.74 1n75A1 LEU 189 HA 0.00 0.15 0.51 -0.75 4.35 4.26 1n75A1 LEU 189 HB2 0.03 -0.03 0.09 -0.04 1.64 1.69 1n75A1 LEU 189 HB3 -0.06 0.03 0.20 -0.04 1.64 1.77 1n75A1 LEU 189 HG 0.10 -0.04 -0.23 -0.04 1.64 1.43 1n75A1 LEU 189 HD13 0.20 0.01 -0.06 -0.04 0.93 1.03 1n75A1 LEU 189 HD23 0.10 0.02 -0.10 -0.04 0.89 0.87 1n75A1 ALA 190 H -0.26 0.44 -0.05 -0.55 8.40 7.99 1n75A1 ALA 190 HA -0.29 0.06 0.33 -0.75 4.34 3.68 1n75A1 ALA 190 HB3 -0.44 -0.02 -0.02 -0.04 1.41 0.89 1n75A1 ASN 191 H -0.54 0.60 -0.10 -0.55 8.53 7.94 1n75A1 ASN 191 HA -0.23 -0.00 0.30 -0.75 4.76 4.07 1n75A1 ASN 191 HB2 -0.51 -0.04 0.01 -0.04 2.88 2.30 1n75A1 ASN 191 HB3 -1.60 0.02 0.09 -0.04 2.79 1.27 1n75A1 ASN 191 HD21 -1.20 -0.04 0.02 -0.04 7.03 5.77 1n75A1 ASN 191 HD22 -0.94 0.49 0.18 -0.04 7.74 7.42 1n75A1 VAL 192 H -0.27 0.29 -0.34 -0.55 8.24 7.38 1n75A1 VAL 192 HA -0.16 0.06 0.38 -0.75 4.13 3.66 1n75A1 VAL 192 HB -0.13 0.08 0.12 -0.04 2.12 2.15 1n75A1 VAL 192 HG13 -0.61 0.00 -0.23 -0.04 0.97 0.10 1n75A1 VAL 192 HG23 -0.20 0.00 0.06 -0.04 0.95 0.77 1n75A1 VAL 193 H -0.07 0.49 -0.07 -0.55 8.24 8.03 1n75A1 VAL 193 HA -0.09 0.08 0.38 -0.75 4.13 3.74 1n75A1 VAL 193 HB 0.08 0.02 0.10 -0.04 2.12 2.28 1n75A1 VAL 193 HG13 -0.32 -0.01 -0.21 -0.04 0.97 0.39 1n75A1 VAL 193 HG23 -0.23 0.01 -0.00 -0.04 0.95 0.69 1n75A1 ASP 194 H -0.03 0.61 -0.12 -0.55 8.40 8.32 1n75A1 ASP 194 HA -0.10 0.09 0.42 -0.75 4.63 4.29 1n75A1 ASP 194 HB2 -0.02 0.05 -0.01 -0.04 2.71 2.69 1n75A1 ASP 194 HB3 -0.02 -0.02 -0.12 -0.04 2.70 2.50 1n75A1 ASP 195 H -0.04 0.64 -0.14 -0.55 8.40 8.32 1n75A1 ASP 195 HA -0.01 -0.03 0.36 -0.75 4.63 4.19 1n75A1 ASP 195 HB2 0.12 0.12 0.12 -0.04 2.71 3.03 1n75A1 ASP 195 HB3 0.08 0.04 -0.06 -0.04 2.70 2.72 1n75A1 HIS 196 H -0.01 0.44 -0.29 -0.55 8.41 8.01 1n75A1 HIS 196 HA -0.18 0.11 0.40 -0.75 4.63 4.21 1n75A1 HIS 196 HB2 -0.15 0.01 0.09 -0.04 3.26 3.17 1n75A1 HIS 196 HB3 -0.82 0.09 0.15 -0.04 3.20 2.57 1n75A1 HIS 196 HD2 -0.28 0.05 0.02 -0.04 6.97 6.72 1n75A1 HIS 196 HE1 -0.95 -0.02 -0.07 -0.04 7.75 6.66 1n75A1 LEU 197 H -0.30 0.52 -0.05 -0.55 8.37 7.99 1n75A1 LEU 197 HA -0.50 0.05 0.41 -0.75 4.35 3.56 1n75A1 LEU 197 HB2 -0.21 0.01 0.08 -0.04 1.64 1.48 1n75A1 LEU 197 HB3 -0.21 -0.01 0.03 -0.04 1.64 1.41 1n75A1 LEU 197 HG -0.35 0.12 0.09 -0.04 1.64 1.45 1n75A1 LEU 197 HD13 -0.10 -0.04 -0.07 -0.04 0.93 0.68 1n75A1 LEU 197 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.67 1n75A1 MET 198 H -0.20 0.41 -0.42 -0.55 8.47 7.72 1n75A1 MET 198 HA -0.21 0.11 0.65 -0.75 4.52 4.32 1n75A1 MET 198 HB2 -0.05 0.05 0.01 -0.04 2.15 2.13 1n75A1 MET 198 HB3 0.04 -0.12 0.02 -0.04 2.03 1.93 1n75A1 MET 198 HG2 -0.06 0.11 -0.07 -0.04 2.63 2.56 1n75A1 MET 198 HG3 -0.11 0.07 -0.04 -0.04 2.56 2.44 1n75A1 MET 198 HE3 -0.24 -0.00 -0.09 -0.04 2.10 1.72 1n75A1 GLY 199 H -0.31 0.38 -0.51 -0.55 8.43 7.44 1n75A1 GLY 199 HA2 -0.24 0.08 0.25 -0.51 4.01 3.59 1n75A1 GLY 199 HA3 -0.18 -0.00 0.35 -0.51 4.01 3.67 1n75A1 VAL 200 H -0.08 0.42 -0.13 -0.55 8.24 7.90 1n75A1 VAL 200 HA 0.01 0.04 0.37 -0.75 4.13 3.79 1n75A1 VAL 200 HB 0.01 -0.02 0.05 -0.04 2.12 2.12 1n75A1 VAL 200 HG13 0.05 -0.02 -0.24 -0.04 0.97 0.72 1n75A1 VAL 200 HG23 0.03 -0.01 -0.17 -0.04 0.95 0.75 1n75A1 THR 201 H 0.03 0.34 0.45 -0.55 8.28 8.55 1n75A1 THR 201 HA -0.04 0.22 0.89 -0.75 4.39 4.71 1n75A1 THR 201 HB 0.03 -0.07 0.12 -0.04 4.32 4.36 1n75A1 THR 201 HG23 -0.02 0.13 0.05 -0.04 1.22 1.35 1n75A1 ASP 202 H 0.10 0.39 0.21 -0.55 8.40 8.55 1n75A1 ASP 202 HA 0.15 0.21 0.94 -0.75 4.63 5.18 1n75A1 ASP 202 HB2 0.37 -0.02 0.06 -0.04 2.71 3.08 1n75A1 ASP 202 HB3 0.41 -0.02 -0.09 -0.04 2.70 2.96 1n75A1 VAL 203 H -0.03 0.88 0.20 -0.55 8.24 8.74 1n75A1 VAL 203 HA 0.13 0.07 0.78 -0.75 4.13 4.35 1n75A1 VAL 203 HB -0.00 0.04 0.14 -0.04 2.12 2.26 1n75A1 VAL 203 HG13 0.27 -0.03 -0.20 -0.04 0.97 0.97 1n75A1 VAL 203 HG23 0.00 0.01 -0.16 -0.04 0.95 0.77 1n75A1 ILE 204 H 0.16 0.27 0.20 -0.55 8.25 8.33 1n75A1 ILE 204 HA 0.10 0.32 0.99 -0.75 4.18 4.83 1n75A1 ILE 204 HB 0.17 -0.00 0.17 -0.04 1.89 2.18 1n75A1 ILE 204 HG12 -0.23 0.00 -0.15 -0.04 1.49 1.07 1n75A1 ILE 204 HG13 0.11 -0.06 -0.47 -0.04 1.21 0.75 1n75A1 ILE 204 HG23 0.20 -0.01 -0.14 -0.04 0.93 0.94 1n75A1 ILE 204 HD13 0.20 0.01 -0.11 -0.04 0.88 0.94 1n75A1 ARG 205 H 0.02 0.59 0.32 -0.55 8.46 8.84 1n75A1 ARG 205 HA 0.18 0.11 0.76 -0.75 4.34 4.64 1n75A1 ARG 205 HB2 0.43 -0.12 0.10 -0.04 1.90 2.27 1n75A1 ARG 205 HB3 0.21 0.07 -0.19 -0.04 1.80 1.85 1n75A1 ARG 205 HG2 0.03 0.05 -0.17 -0.04 1.67 1.54 1n75A1 ARG 205 HG3 0.45 0.06 -0.25 -0.04 1.67 1.88 1n75A1 ARG 205 HD2 0.28 -0.06 -0.11 -0.04 3.22 3.30 1n75A1 ARG 205 HD3 0.28 0.02 -0.17 -0.04 3.22 3.30 1n75A1 ALA 206 H 0.35 0.08 0.16 -0.55 8.40 8.44 1n75A1 ALA 206 HA 0.13 0.24 0.47 -0.75 4.34 4.42 1n75A1 ALA 206 HB3 0.02 -0.01 0.12 -0.04 1.41 1.51 1n75A1 GLU 207 H 0.08 0.66 0.23 -0.55 8.60 9.02 1n75A1 GLU 207 HA 0.20 0.05 0.32 -0.75 4.29 4.10 1n75A1 GLU 207 HB2 0.02 -0.00 0.06 -0.04 2.09 2.13 1n75A1 GLU 207 HB3 0.08 0.23 -0.20 -0.04 1.99 2.07 1n75A1 GLU 207 HG2 -0.00 -0.06 0.12 -0.04 2.34 2.36 1n75A1 GLU 207 HG3 -0.05 -0.03 -0.19 -0.04 2.34 2.04 1n75A1 GLU 208 H -0.27 0.06 -0.40 -0.55 8.60 7.45 1n75A1 GLU 208 HA -0.24 0.13 0.42 -0.75 4.29 3.84 1n75A1 GLU 208 HB2 -0.59 0.04 0.12 -0.04 2.09 1.61 1n75A1 GLU 208 HB3 -0.36 0.01 0.09 -0.04 1.99 1.68 1n75A1 GLU 208 HG2 -0.76 -0.09 -0.05 -0.04 2.34 1.40 1n75A1 GLU 208 HG3 -2.20 0.04 -0.18 -0.04 2.34 -0.04 1n75A1 TRP 209 H -0.05 0.45 -0.51 -0.55 7.97 7.31 1n75A1 TRP 209 HA 0.05 0.14 0.73 -0.75 4.62 4.79 1n75A1 TRP 209 HB2 0.29 0.15 -0.07 -0.04 3.23 3.55 1n75A1 TRP 209 HB3 0.25 -0.03 0.04 -0.04 3.23 3.44 1n75A1 TRP 209 HD1 0.10 -0.01 0.01 -0.04 7.22 7.27 1n75A1 TRP 209 HE1 -0.05 -0.05 0.01 -0.04 10.20 10.07 1n75A1 TRP 209 HE3 0.04 0.03 -0.02 -0.04 7.59 7.60 1n75A1 TRP 209 HZ2 -0.13 -0.03 -0.01 -0.04 7.44 7.23 1n75A1 TRP 209 HZ3 -0.05 0.01 -0.02 -0.04 7.13 7.04 1n75A1 TRP 209 HH2 -0.11 -0.01 -0.01 -0.04 7.19 7.02 1n75A1 LEU 210 H -0.10 0.55 -0.19 -0.55 8.37 8.09 1n75A1 LEU 210 HA -0.99 0.04 0.32 -0.75 4.35 2.97 1n75A1 LEU 210 HB2 -0.46 -0.01 0.15 -0.04 1.64 1.28 1n75A1 LEU 210 HB3 -0.17 0.06 0.14 -0.04 1.64 1.63 1n75A1 LEU 210 HG -0.11 0.01 -0.25 -0.04 1.64 1.25 1n75A1 LEU 210 HD13 -0.26 -0.01 -0.00 -0.04 0.93 0.61 1n75A1 LEU 210 HD23 -0.06 0.01 -0.02 -0.04 0.89 0.78 1n75A1 VAL 211 H -0.05 0.18 -0.20 -0.55 8.24 7.62 1n75A1 VAL 211 HA -0.01 0.12 0.40 -0.75 4.13 3.89 1n75A1 VAL 211 HB -0.00 0.05 0.08 -0.04 2.12 2.21 1n75A1 VAL 211 HG13 0.03 0.00 0.01 -0.04 0.97 0.97 1n75A1 VAL 211 HG23 0.01 0.01 -0.09 -0.04 0.95 0.83 1n75A1 SER 212 H 0.03 0.32 -0.59 -0.55 8.46 7.67 1n75A1 SER 212 HA -0.13 0.12 0.62 -0.75 4.49 4.35 1n75A1 SER 212 HB2 0.27 0.22 0.08 -0.04 3.95 4.48 1n75A1 SER 212 HB3 0.12 -0.09 0.06 -0.04 3.93 3.98 1n75A1 THR 213 H -0.18 0.44 -0.25 -0.55 8.28 7.75 1n75A1 THR 213 HA -0.37 -0.03 0.30 -0.75 4.39 3.53 1n75A1 THR 213 HB -0.21 0.08 0.02 -0.04 4.32 4.17 1n75A1 THR 213 HG23 -0.81 -0.02 -0.06 -0.04 1.22 0.29 1n75A1 PRO 214 HA -0.14 0.07 0.39 -0.51 4.44 4.25 1n75A1 PRO 214 HB2 -0.30 0.04 -0.10 -0.04 2.28 1.88 1n75A1 PRO 214 HB3 -0.42 0.04 -0.03 -0.04 2.02 1.57 1n75A1 PRO 214 HG2 -0.48 0.04 -0.05 -0.04 2.03 1.50 1n75A1 PRO 214 HG3 -1.40 0.05 -0.03 -0.04 2.03 0.61 1n75A1 PRO 214 HD2 -0.38 0.10 -0.54 -0.04 3.68 2.82 1n75A1 PRO 214 HD3 -0.47 0.11 -0.04 -0.04 3.65 3.21 1n75A1 ILE 215 H -0.34 0.35 -0.36 -0.55 8.25 7.35 1n75A1 ILE 215 HA -0.15 0.08 0.39 -0.75 4.18 3.75 1n75A1 ILE 215 HB -0.48 0.19 0.16 -0.04 1.89 1.71 1n75A1 ILE 215 HG12 -0.24 0.04 0.04 -0.04 1.49 1.29 1n75A1 ILE 215 HG13 -0.28 0.00 0.04 -0.04 1.21 0.94 1n75A1 ILE 215 HG23 -0.28 -0.02 -0.13 -0.04 0.93 0.45 1n75A1 ILE 215 HD13 -0.47 -0.02 0.07 -0.04 0.88 0.41 1n75A1 HIS 216 H -0.38 0.30 -0.12 -0.55 8.41 7.67 1n75A1 HIS 216 HA 0.01 0.04 0.43 -0.75 4.63 4.35 1n75A1 HIS 216 HB2 0.06 0.11 0.10 -0.04 3.26 3.49 1n75A1 HIS 216 HB3 0.27 0.00 0.01 -0.04 3.20 3.44 1n75A1 HIS 216 HD2 0.06 -0.02 -0.09 -0.04 6.97 6.87 1n75A1 HIS 216 HE1 0.32 -0.05 -0.14 -0.04 7.75 7.84 1n75A1 VAL 217 H 0.05 0.61 -0.08 -0.55 8.24 8.27 1n75A1 VAL 217 HA 0.32 0.03 0.43 -0.75 4.13 4.16 1n75A1 VAL 217 HB 0.02 0.04 0.10 -0.04 2.12 2.24 1n75A1 VAL 217 HG13 0.08 0.03 -0.06 -0.04 0.97 0.98 1n75A1 VAL 217 HG23 0.12 0.01 0.03 -0.04 0.95 1.07 1n75A1 LEU 218 H -0.01 0.50 -0.30 -0.55 8.37 8.01 1n75A1 LEU 218 HA -0.10 0.03 0.45 -0.75 4.35 3.98 1n75A1 LEU 218 HB2 -0.05 0.13 0.18 -0.04 1.64 1.85 1n75A1 LEU 218 HB3 -0.03 -0.02 -0.02 -0.04 1.64 1.53 1n75A1 LEU 218 HG 0.01 0.08 0.04 -0.04 1.64 1.72 1n75A1 LEU 218 HD13 0.07 -0.03 -0.07 -0.04 0.93 0.86 1n75A1 LEU 218 HD23 0.18 -0.00 0.01 -0.04 0.89 1.04 1n75A1 LEU 219 H -0.08 0.40 -0.23 -0.55 8.37 7.92 1n75A1 LEU 219 HA -0.49 0.03 0.43 -0.75 4.35 3.57 1n75A1 LEU 219 HB2 -0.08 0.11 0.19 -0.04 1.64 1.81 1n75A1 LEU 219 HB3 -0.12 -0.05 -0.03 -0.04 1.64 1.39 1n75A1 LEU 219 HG -0.10 0.09 -0.01 -0.04 1.64 1.58 1n75A1 LEU 219 HD13 0.04 -0.04 -0.20 -0.04 0.93 0.69 1n75A1 LEU 219 HD23 -0.20 -0.02 -0.06 -0.04 0.89 0.57 1n75A1 TYR 220 H 0.10 0.59 -0.06 -0.55 8.29 8.37 1n75A1 TYR 220 HA 0.11 -0.02 0.31 -0.75 4.56 4.21 1n75A1 TYR 220 HB2 0.09 0.06 0.11 -0.04 3.06 3.28 1n75A1 TYR 220 HB3 0.13 0.13 -0.22 -0.04 2.98 2.97 1n75A1 TYR 220 HD2 0.31 0.03 -0.23 -0.04 7.15 7.22 1n75A1 TYR 220 HE2 0.26 -0.04 -0.07 -0.04 6.85 6.96 1n75A1 ARG 221 H -0.09 0.43 -0.32 -0.55 8.46 7.93 1n75A1 ARG 221 HA -0.07 0.05 0.47 -0.75 4.34 4.03 1n75A1 ARG 221 HB2 -0.05 0.01 0.14 -0.04 1.90 1.96 1n75A1 ARG 221 HB3 -0.34 0.13 0.19 -0.04 1.80 1.74 1n75A1 ARG 221 HG2 -0.07 0.03 -0.14 -0.04 1.67 1.45 1n75A1 ARG 221 HG3 -0.01 -0.03 0.06 -0.04 1.67 1.64 1n75A1 ARG 221 HD2 0.09 -0.05 0.02 -0.04 3.22 3.24 1n75A1 ARG 221 HD3 0.04 -0.01 0.03 -0.04 3.22 3.24 1n75A1 ALA 222 H -0.87 0.55 -0.08 -0.55 8.40 7.45 1n75A1 ALA 222 HA -1.69 0.02 0.39 -0.75 4.34 2.31 1n75A1 ALA 222 HB3 -1.57 0.00 0.11 -0.04 1.41 -0.09 1n75A1 PHE 223 H -0.67 0.46 -0.23 -0.55 8.34 7.35 1n75A1 PHE 223 HA -0.59 0.06 0.53 -0.75 4.62 3.87 1n75A1 PHE 223 HB2 -1.62 0.04 0.02 -0.04 3.15 1.55 1n75A1 PHE 223 HB3 -2.66 -0.04 0.01 -0.04 3.06 0.33 1n75A1 PHE 223 HD2 -0.67 0.04 -0.11 -0.04 7.28 6.50 1n75A1 PHE 223 HE2 -0.16 -0.01 -0.05 -0.04 7.38 7.12 1n75A1 PHE 223 HZ -0.08 -0.09 -0.14 -0.04 7.32 6.97 1n75A1 GLY 224 H -0.28 0.32 -0.49 -0.55 8.43 7.43 1n75A1 GLY 224 HA2 -0.03 0.04 0.32 -0.51 4.01 3.83 1n75A1 GLY 224 HA3 -0.02 -0.00 0.49 -0.51 4.01 3.97 1n75A1 TRP 225 H 0.04 0.56 0.04 -0.55 7.97 8.07 1n75A1 TRP 225 HA 0.04 0.15 0.80 -0.75 4.62 4.85 1n75A1 TRP 225 HB2 0.15 -0.06 -0.03 -0.04 3.23 3.25 1n75A1 TRP 225 HB3 0.04 0.03 0.01 -0.04 3.23 3.28 1n75A1 TRP 225 HD1 -0.07 0.12 -0.33 -0.04 7.22 6.90 1n75A1 TRP 225 HE1 -0.09 -0.02 -0.07 -0.04 10.20 9.98 1n75A1 TRP 225 HE3 -0.41 -0.01 -0.11 -0.04 7.59 7.02 1n75A1 TRP 225 HZ2 -0.24 -0.02 -0.04 -0.04 7.44 7.11 1n75A1 TRP 225 HZ3 -0.74 -0.08 -0.25 -0.04 7.13 6.01 1n75A1 TRP 225 HH2 -1.53 -0.08 -0.03 -0.04 7.19 5.51 1n75A1 GLU 226 H 0.26 0.14 0.11 -0.55 8.60 8.56 1n75A1 GLU 226 HA 0.08 0.06 0.63 -0.75 4.29 4.30 1n75A1 GLU 226 HB2 0.05 0.01 0.08 -0.04 2.09 2.19 1n75A1 GLU 226 HB3 0.01 0.05 0.01 -0.04 1.99 2.02 1n75A1 GLU 226 HG2 0.07 0.00 -0.03 -0.04 2.34 2.34 1n75A1 GLU 226 HG3 0.12 -0.01 0.02 -0.04 2.34 2.42 1n75A1 ALA 227 H -0.06 0.08 0.14 -0.55 8.40 8.01 1n75A1 ALA 227 HA -1.12 0.09 0.49 -0.75 4.34 3.05 1n75A1 ALA 227 HB3 -0.09 -0.01 0.08 -0.04 1.41 1.35 1n75A1 PRO 228 HA -0.21 0.15 0.59 -0.51 4.44 4.46 1n75A1 PRO 228 HB2 -0.25 -0.01 -0.27 -0.04 2.28 1.70 1n75A1 PRO 228 HB3 -0.19 0.26 0.00 -0.04 2.02 2.05 1n75A1 PRO 228 HG2 -0.98 -0.05 -0.21 -0.04 2.03 0.75 1n75A1 PRO 228 HG3 -0.22 -0.02 -0.11 -0.04 2.03 1.63 1n75A1 PRO 228 HD2 -0.85 -0.03 0.13 -0.04 3.68 2.88 1n75A1 PRO 228 HD3 -0.82 0.23 0.13 -0.04 3.65 3.15 1n75A1 ARG 229 H -0.15 0.61 0.33 -0.55 8.46 8.70 1n75A1 ARG 229 HA -0.23 0.06 0.59 -0.75 4.34 4.00 1n75A1 ARG 229 HB2 0.03 0.19 0.27 -0.04 1.90 2.35 1n75A1 ARG 229 HB3 -0.13 -0.09 -0.06 -0.04 1.80 1.48 1n75A1 ARG 229 HG2 -0.24 -0.05 0.01 -0.04 1.67 1.35 1n75A1 ARG 229 HG3 -0.16 0.00 0.07 -0.04 1.67 1.54 1n75A1 ARG 229 HD2 0.05 -0.03 0.01 -0.04 3.22 3.20 1n75A1 ARG 229 HD3 -0.00 0.04 0.02 -0.04 3.22 3.24 1n75A1 PHE 230 H -0.16 0.21 0.25 -0.55 8.34 8.09 1n75A1 PHE 230 HA -0.06 0.29 0.99 -0.75 4.62 5.10 1n75A1 PHE 230 HB2 -0.03 0.14 0.25 -0.04 3.15 3.47 1n75A1 PHE 230 HB3 0.03 -0.08 -0.01 -0.04 3.06 2.96 1n75A1 PHE 230 HD2 0.05 0.02 0.01 -0.04 7.28 7.31 1n75A1 PHE 230 HE2 0.12 -0.03 -0.07 -0.04 7.38 7.35 1n75A1 PHE 230 HZ 0.24 -0.02 -0.11 -0.04 7.32 7.38 1n75A1 TYR 231 H 0.06 0.83 0.34 -0.55 8.29 8.97 1n75A1 TYR 231 HA -0.25 -0.01 0.94 -0.75 4.56 4.49 1n75A1 TYR 231 HB2 -0.37 -0.03 0.11 -0.04 3.06 2.73 1n75A1 TYR 231 HB3 -0.79 0.06 -0.05 -0.04 2.98 2.15 1n75A1 TYR 231 HD2 -1.08 0.07 -0.24 -0.04 7.15 5.86 1n75A1 TYR 231 HE2 -0.84 0.02 -0.12 -0.04 6.85 5.87 1n75A1 HIS 232 H 0.09 0.11 0.09 -0.55 8.41 8.16 1n75A1 HIS 232 HA 0.13 0.38 0.96 -0.75 4.63 5.34 1n75A1 HIS 232 HB2 0.04 -0.01 0.12 -0.04 3.26 3.37 1n75A1 HIS 232 HB3 0.07 -0.06 -0.05 -0.04 3.20 3.11 1n75A1 HIS 232 HD2 0.20 0.15 -0.31 -0.04 6.97 6.97 1n75A1 HIS 232 HE1 -0.04 0.05 -0.13 -0.04 7.75 7.59 1n75A1 MET 233 H 0.09 0.54 0.20 -0.55 8.47 8.75 1n75A1 MET 233 HA 0.07 0.24 0.59 -0.75 4.52 4.67 1n75A1 MET 233 HB2 -0.04 -0.20 -0.05 -0.04 2.15 1.82 1n75A1 MET 233 HB3 -0.15 0.15 -0.04 -0.04 2.03 1.95 1n75A1 MET 233 HG2 0.02 -0.02 -0.12 -0.04 2.63 2.47 1n75A1 MET 233 HG3 -0.31 -0.04 -0.10 -0.04 2.56 2.08 1n75A1 MET 233 HE3 -1.07 0.04 0.01 -0.04 2.10 1.04 1n75A1 PRO 234 HA 0.07 -0.08 0.45 -0.51 4.44 4.36 1n75A1 PRO 234 HB2 0.09 0.03 0.01 -0.04 2.28 2.36 1n75A1 PRO 234 HB3 0.06 0.13 -0.07 -0.04 2.02 2.10 1n75A1 PRO 234 HG2 0.09 0.48 0.21 -0.04 2.03 2.76 1n75A1 PRO 234 HG3 0.08 -0.04 0.18 -0.04 2.03 2.21 1n75A1 PRO 234 HD2 0.10 0.07 0.20 -0.04 3.68 4.01 1n75A1 PRO 234 HD3 0.10 0.15 0.29 -0.04 3.65 4.15 1n75A1 LEU 235 H 0.03 0.06 0.18 -0.55 8.37 8.09 1n75A1 LEU 235 HA 0.07 -0.02 0.51 -0.75 4.35 4.16 1n75A1 LEU 235 HB2 -0.02 0.04 0.08 -0.04 1.64 1.70 1n75A1 LEU 235 HB3 -0.03 0.06 0.06 -0.04 1.64 1.69 1n75A1 LEU 235 HG -0.04 -0.03 0.10 -0.04 1.64 1.63 1n75A1 LEU 235 HD13 -0.09 0.01 0.03 -0.04 0.93 0.83 1n75A1 LEU 235 HD23 -0.07 -0.03 0.07 -0.04 0.89 0.82 1n75A1 LEU 236 H -0.07 -0.02 0.20 -0.55 8.37 7.92 1n75A1 LEU 236 HA -0.13 0.30 0.55 -0.75 4.35 4.31 1n75A1 LEU 236 HB2 -0.16 -0.15 0.14 -0.04 1.64 1.43 1n75A1 LEU 236 HB3 -0.17 0.03 0.03 -0.04 1.64 1.49 1n75A1 LEU 236 HG -0.54 -0.03 0.08 -0.04 1.64 1.12 1n75A1 LEU 236 HD13 -0.43 -0.03 -0.05 -0.04 0.93 0.38 1n75A1 LEU 236 HD23 -0.77 0.05 -0.05 -0.04 0.89 0.08 1n75A1 ARG 237 H 0.01 0.88 0.34 -0.55 8.46 9.14 1n75A1 ARG 237 HA 0.01 0.07 0.96 -0.75 4.34 4.63 1n75A1 ARG 237 HB2 0.02 0.02 -0.29 -0.04 1.90 1.61 1n75A1 ARG 237 HB3 0.02 -0.03 -0.26 -0.04 1.80 1.49 1n75A1 ARG 237 HG2 0.00 0.19 -0.34 -0.04 1.67 1.48 1n75A1 ARG 237 HG3 0.01 -0.00 -0.19 -0.04 1.67 1.44 1n75A1 ARG 237 HD2 -0.00 0.14 -0.46 -0.04 3.22 2.86 1n75A1 ARG 237 HD3 -0.01 -0.05 -0.49 -0.04 3.22 2.63 1n75A1 ASN 238 H 0.03 0.86 0.16 -0.55 8.53 9.04 1n75A1 ASN 238 HA 0.09 0.17 0.59 -0.75 4.76 4.86 1n75A1 ASN 238 HB2 0.02 -0.06 0.03 -0.04 2.88 2.83 1n75A1 ASN 238 HB3 0.03 -0.03 0.09 -0.04 2.79 2.85 1n75A1 ASN 238 HD21 0.04 -0.09 -0.05 -0.04 7.03 6.89 1n75A1 ASN 238 HD22 0.08 0.06 0.05 -0.04 7.74 7.89 1n75A1 PRO 239 HA 0.03 0.12 0.35 -0.51 4.44 4.43 1n75A1 PRO 239 HB2 0.02 0.02 0.04 -0.04 2.28 2.33 1n75A1 PRO 239 HB3 0.02 0.07 0.09 -0.04 2.02 2.15 1n75A1 PRO 239 HG2 0.04 0.00 0.10 -0.04 2.03 2.13 1n75A1 PRO 239 HG3 0.04 0.03 0.04 -0.04 2.03 2.11 1n75A1 PRO 239 HD2 0.04 0.08 0.21 -0.04 3.68 3.97 1n75A1 PRO 239 HD3 0.08 0.23 0.23 -0.04 3.65 4.15 1n75A1 ASP 240 H 0.02 0.02 -0.47 -0.55 8.40 7.42 1n75A1 ASP 240 HA 0.01 0.20 0.56 -0.75 4.63 4.65 1n75A1 ASP 240 HB2 0.01 0.06 0.14 -0.04 2.71 2.87 1n75A1 ASP 240 HB3 0.01 -0.01 0.04 -0.04 2.70 2.69 1n75A1 LYS 241 H 0.02 0.59 -0.52 -0.55 8.42 7.95 1n75A1 LYS 241 HA 0.01 0.09 0.21 -0.75 4.32 3.87 1n75A1 LYS 241 HB2 0.00 0.30 0.06 -0.04 1.87 2.19 1n75A1 LYS 241 HB3 0.00 -0.06 0.13 -0.04 1.79 1.82 1n75A1 LYS 241 HG2 0.01 -0.03 -0.05 -0.04 1.46 1.34 1n75A1 LYS 241 HG3 0.01 0.01 -0.02 -0.04 1.46 1.43 1n75A1 LYS 241 HD2 0.01 0.05 -0.26 -0.04 1.69 1.45 1n75A1 LYS 241 HD3 0.01 -0.01 -0.29 -0.04 1.68 1.35 1n75A1 LYS 241 HE2 0.01 0.03 0.02 -0.04 2.99 3.00 1n75A1 LYS 241 HE3 0.01 -0.05 -0.03 -0.04 2.99 2.88 1n75A1 THR 242 H 0.01 -0.05 -0.51 -0.55 8.28 7.18 1n75A1 THR 242 HA -0.00 0.16 0.61 -0.75 4.39 4.40 1n75A1 THR 242 HB -0.00 0.07 -0.01 -0.04 4.32 4.33 1n75A1 THR 242 HG23 0.00 -0.03 -0.16 -0.04 1.22 0.99 1n75A1 LYS 243 H -0.01 0.11 0.13 -0.55 8.42 8.10 1n75A1 LYS 243 HA -0.01 0.18 0.45 -0.75 4.32 4.19 1n75A1 LYS 243 HB2 -0.03 0.02 0.11 -0.04 1.87 1.92 1n75A1 LYS 243 HB3 -0.03 -0.06 0.13 -0.04 1.79 1.79 1n75A1 LYS 243 HG2 -0.03 0.21 -0.38 -0.04 1.46 1.23 1n75A1 LYS 243 HG3 -0.04 -0.01 0.05 -0.04 1.46 1.41 1n75A1 LYS 243 HD2 -0.08 -0.02 0.02 -0.04 1.69 1.57 1n75A1 LYS 243 HD3 -0.06 -0.03 -0.02 -0.04 1.68 1.53 1n75A1 LYS 243 HE2 -0.10 -0.05 0.04 -0.04 2.99 2.84 1n75A1 LYS 243 HE3 -0.12 -0.04 0.02 -0.04 2.99 2.81 1n75A1 ILE 244 H -0.01 0.64 0.29 -0.55 8.25 8.62 1n75A1 ILE 244 HA 0.01 0.01 0.39 -0.75 4.18 3.84 1n75A1 ILE 244 HB -0.04 0.02 0.02 -0.04 1.89 1.85 1n75A1 ILE 244 HG12 0.07 -0.03 -0.17 -0.04 1.49 1.32 1n75A1 ILE 244 HG13 0.04 0.00 -0.49 -0.04 1.21 0.73 1n75A1 ILE 244 HG23 -0.04 -0.04 -0.26 -0.04 0.93 0.55 1n75A1 ILE 244 HD13 0.10 0.03 -0.12 -0.04 0.88 0.85 1n75A1 SER 245 H -0.01 0.20 0.18 -0.55 8.46 8.29 1n75A1 SER 245 HA 0.06 0.16 0.82 -0.75 4.49 4.78 1n75A1 SER 245 HB2 -0.00 0.20 -0.11 -0.04 3.95 3.99 1n75A1 SER 245 HB3 -0.01 0.03 0.06 -0.04 3.93 3.97 1n75A1 LYS 246 H 0.11 0.22 0.16 -0.55 8.42 8.36 1n75A1 LYS 246 HA -0.09 0.15 0.49 -0.75 4.32 4.12 1n75A1 LYS 246 HB2 -0.02 0.01 0.14 -0.04 1.87 1.96 1n75A1 LYS 246 HB3 0.07 -0.05 0.14 -0.04 1.79 1.90 1n75A1 LYS 246 HG2 0.07 -0.08 0.10 -0.04 1.46 1.51 1n75A1 LYS 246 HG3 0.02 0.10 -0.20 -0.04 1.46 1.34 1n75A1 LYS 246 HD2 0.08 0.00 0.00 -0.04 1.69 1.73 1n75A1 LYS 246 HD3 0.19 -0.04 0.03 -0.04 1.68 1.82 1n75A1 LYS 246 HE2 0.05 -0.01 0.01 -0.04 2.99 3.01 1n75A1 LYS 246 HE3 0.04 0.06 -0.01 -0.04 2.99 3.03 1n75A1 ARG 247 H -0.01 -0.01 -0.36 -0.55 8.46 7.53 1n75A1 ARG 247 HA -0.04 0.20 0.65 -0.75 4.34 4.39 1n75A1 ARG 247 HB2 -0.02 -0.01 -0.01 -0.04 1.90 1.83 1n75A1 ARG 247 HB3 -0.02 0.07 0.10 -0.04 1.80 1.90 1n75A1 ARG 247 HG2 -0.01 0.07 -0.02 -0.04 1.67 1.67 1n75A1 ARG 247 HG3 0.00 -0.16 -0.03 -0.04 1.67 1.45 1n75A1 ARG 247 HD2 -0.00 -0.00 0.00 -0.04 3.22 3.17 1n75A1 ARG 247 HD3 -0.01 0.05 0.01 -0.04 3.22 3.23 1n75A1 LYS 248 H -0.05 0.23 -0.25 -0.55 8.42 7.79 1n75A1 LYS 248 HA -0.07 0.25 0.96 -0.75 4.32 4.71 1n75A1 LYS 248 HB2 -0.03 -0.06 0.08 -0.04 1.87 1.81 1n75A1 LYS 248 HB3 -0.04 0.01 0.06 -0.04 1.79 1.78 1n75A1 LYS 248 HG2 -0.03 0.08 -0.06 -0.04 1.46 1.40 1n75A1 LYS 248 HG3 -0.03 -0.14 -0.29 -0.04 1.46 0.96 1n75A1 LYS 248 HD2 -0.02 0.01 -0.05 -0.04 1.69 1.60 1n75A1 LYS 248 HD3 -0.02 0.01 -0.03 -0.04 1.68 1.60 1n75A1 LYS 248 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.87 1n75A1 LYS 248 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.94 1n75A1 SER 249 H -0.11 0.39 0.16 -0.55 8.46 8.35 1n75A1 SER 249 HA -0.28 0.18 0.61 -0.75 4.49 4.25 1n75A1 SER 249 HB2 -0.06 -0.06 0.11 -0.04 3.95 3.90 1n75A1 SER 249 HB3 -0.06 0.10 -0.14 -0.04 3.93 3.79 1n75A1 HIS 250 H -0.32 0.17 0.11 -0.55 8.41 7.83 1n75A1 HIS 250 HA -0.43 0.05 0.60 -0.75 4.63 4.10 1n75A1 HIS 250 HB2 -0.77 0.01 0.18 -0.04 3.26 2.65 1n75A1 HIS 250 HB3 -1.23 -0.02 0.00 -0.04 3.20 1.91 1n75A1 HIS 250 HD2 -0.70 0.00 0.03 -0.04 6.97 6.26 1n75A1 HIS 250 HE1 -0.41 0.05 -0.03 -0.04 7.75 7.32 1n75A1 THR 251 H -0.12 0.16 0.30 -0.55 8.28 8.08 1n75A1 THR 251 HA 0.01 0.26 0.89 -0.75 4.39 4.80 1n75A1 THR 251 HB -0.97 -0.23 0.13 -0.04 4.32 3.21 1n75A1 THR 251 HG23 -0.16 0.05 -0.39 -0.04 1.22 0.68 1n75A1 SER 252 H 0.01 0.06 0.13 -0.55 8.46 8.11 1n75A1 SER 252 HA 0.08 0.31 0.58 -0.75 4.49 4.70 1n75A1 SER 252 HB2 0.06 0.08 0.13 -0.04 3.95 4.18 1n75A1 SER 252 HB3 0.16 0.02 0.19 -0.04 3.93 4.26 1n75A1 LEU 253 H 0.17 0.83 0.33 -0.55 8.37 9.16 1n75A1 LEU 253 HA 0.45 0.07 0.38 -0.75 4.35 4.49 1n75A1 LEU 253 HB2 0.17 -0.00 0.06 -0.04 1.64 1.83 1n75A1 LEU 253 HB3 0.31 0.06 0.01 -0.04 1.64 1.98 1n75A1 LEU 253 HG 0.17 0.02 -0.30 -0.04 1.64 1.48 1n75A1 LEU 253 HD13 0.18 -0.01 -0.16 -0.04 0.93 0.90 1n75A1 LEU 253 HD23 0.19 0.00 -0.04 -0.04 0.89 1.00 1n75A1 ASP 254 H 0.11 0.08 -0.20 -0.55 8.40 7.85 1n75A1 ASP 254 HA -0.15 0.16 0.50 -0.75 4.63 4.38 1n75A1 ASP 254 HB2 0.05 -0.07 0.06 -0.04 2.71 2.71 1n75A1 ASP 254 HB3 -0.02 0.09 0.00 -0.04 2.70 2.73 1n75A1 TRP 255 H 0.27 0.13 -0.36 -0.55 7.97 7.47 1n75A1 TRP 255 HA -0.07 0.12 0.42 -0.75 4.62 4.34 1n75A1 TRP 255 HB2 -0.08 -0.07 0.09 -0.04 3.23 3.13 1n75A1 TRP 255 HB3 -0.20 0.16 0.10 -0.04 3.23 3.25 1n75A1 TRP 255 HD1 -0.13 0.02 -0.00 -0.04 7.22 7.07 1n75A1 TRP 255 HE1 -0.31 0.06 -0.03 -0.04 10.20 9.88 1n75A1 TRP 255 HE3 -1.33 0.02 -0.25 -0.04 7.59 5.98 1n75A1 TRP 255 HZ2 -0.28 0.05 -0.03 -0.04 7.44 7.13 1n75A1 TRP 255 HZ3 -0.72 -0.00 -0.08 -0.04 7.13 6.30 1n75A1 TRP 255 HH2 -0.04 0.01 -0.03 -0.04 7.19 7.09 1n75A1 TYR 256 H 0.41 0.30 -0.18 -0.55 8.29 8.26 1n75A1 TYR 256 HA 0.03 0.04 0.33 -0.75 4.56 4.22 1n75A1 TYR 256 HB2 0.29 0.09 0.08 -0.04 3.06 3.49 1n75A1 TYR 256 HB3 0.24 0.00 -0.06 -0.04 2.98 3.13 1n75A1 TYR 256 HD2 -0.36 0.04 -0.14 -0.04 7.15 6.65 1n75A1 TYR 256 HE2 0.02 -0.05 -0.21 -0.04 6.85 6.57 1n75A1 LYS 257 H 0.00 0.35 -0.32 -0.55 8.42 7.90 1n75A1 LYS 257 HA 0.17 0.15 0.45 -0.75 4.32 4.33 1n75A1 LYS 257 HB2 -1.53 0.03 0.12 -0.04 1.87 0.44 1n75A1 LYS 257 HB3 -0.47 0.04 0.15 -0.04 1.79 1.47 1n75A1 LYS 257 HG2 -0.35 0.02 -0.18 -0.04 1.46 0.91 1n75A1 LYS 257 HG3 -0.66 0.02 0.04 -0.04 1.46 0.82 1n75A1 LYS 257 HD2 -1.90 -0.02 -0.01 -0.04 1.69 -0.28 1n75A1 LYS 257 HD3 -0.64 -0.03 -0.01 -0.04 1.68 0.95 1n75A1 LYS 257 HE2 -0.33 0.02 -0.03 -0.04 2.99 2.60 1n75A1 LYS 257 HE3 -0.54 0.02 -0.01 -0.04 2.99 2.42 1n75A1 ALA 258 H -0.15 0.51 -0.12 -0.55 8.40 8.09 1n75A1 ALA 258 HA -0.05 0.06 0.41 -0.75 4.34 4.02 1n75A1 ALA 258 HB3 -0.15 -0.00 0.11 -0.04 1.41 1.32 1n75A1 GLU 259 H -0.27 0.33 -0.48 -0.55 8.60 7.63 1n75A1 GLU 259 HA -0.28 0.13 0.59 -0.75 4.29 3.97 1n75A1 GLU 259 HB2 -0.46 0.05 0.08 -0.04 2.09 1.72 1n75A1 GLU 259 HB3 -0.45 -0.09 0.08 -0.04 1.99 1.49 1n75A1 GLU 259 HG2 -1.74 0.15 -0.01 -0.04 2.34 0.69 1n75A1 GLU 259 HG3 -2.82 -0.11 -0.06 -0.04 2.34 -0.68 1n75A1 GLY 260 H 0.07 0.49 -0.40 -0.55 8.43 8.04 1n75A1 GLY 260 HA2 -0.36 0.16 0.28 -0.51 4.01 3.58 1n75A1 GLY 260 HA3 -0.57 -0.29 0.74 -0.51 4.01 3.37 1n75A1 PHE 261 H 0.26 0.52 0.07 -0.55 8.34 8.63 1n75A1 PHE 261 HA 0.02 0.09 0.72 -0.75 4.62 4.69 1n75A1 PHE 261 HB2 0.30 0.07 -0.00 -0.04 3.15 3.48 1n75A1 PHE 261 HB3 0.15 -0.03 -0.06 -0.04 3.06 3.08 1n75A1 PHE 261 HD2 -0.00 0.09 -0.01 -0.04 7.28 7.32 1n75A1 PHE 261 HE2 -0.08 -0.02 -0.13 -0.04 7.38 7.11 1n75A1 PHE 261 HZ 0.15 -0.02 -0.05 -0.04 7.32 7.37 1n75A1 LEU 262 H 0.04 0.13 0.20 -0.55 8.37 8.19 1n75A1 LEU 262 HA 0.07 0.23 0.57 -0.75 4.35 4.47 1n75A1 LEU 262 HB2 -0.18 -0.08 0.19 -0.04 1.64 1.53 1n75A1 LEU 262 HB3 -0.17 -0.08 0.07 -0.04 1.64 1.42 1n75A1 LEU 262 HG -0.02 0.06 0.03 -0.04 1.64 1.67 1n75A1 LEU 262 HD13 -0.04 0.03 0.03 -0.04 0.93 0.90 1n75A1 LEU 262 HD23 -0.04 0.01 -0.01 -0.04 0.89 0.81 1n75A1 PRO 263 HA -0.94 0.01 0.40 -0.51 4.44 3.40 1n75A1 PRO 263 HB2 -0.93 0.21 0.03 -0.04 2.28 1.54 1n75A1 PRO 263 HB3 -2.89 -0.01 -0.03 -0.04 2.02 -0.95 1n75A1 PRO 263 HG2 -0.40 -0.06 0.13 -0.04 2.03 1.65 1n75A1 PRO 263 HG3 -0.55 0.14 0.12 -0.04 2.03 1.69 1n75A1 PRO 263 HD2 -0.10 0.06 0.26 -0.04 3.68 3.86 1n75A1 PRO 263 HD3 0.03 0.23 0.22 -0.04 3.65 4.09 1n75A1 GLU 264 H -0.36 0.14 -0.15 -0.55 8.60 7.68 1n75A1 GLU 264 HA -0.30 0.17 0.45 -0.75 4.29 3.86 1n75A1 GLU 264 HB2 -0.38 -0.03 0.02 -0.04 2.09 1.66 1n75A1 GLU 264 HB3 -0.20 0.03 0.02 -0.04 1.99 1.79 1n75A1 GLU 264 HG2 -0.08 0.01 0.02 -0.04 2.34 2.25 1n75A1 GLU 264 HG3 -0.19 0.09 0.01 -0.04 2.34 2.21 1n75A1 ALA 265 H -0.53 0.10 -0.33 -0.55 8.40 7.10 1n75A1 ALA 265 HA -0.88 0.13 0.47 -0.75 4.34 3.30 1n75A1 ALA 265 HB3 -0.35 0.03 0.03 -0.04 1.41 1.08 1n75A1 LEU 266 H -0.20 0.52 -0.04 -0.55 8.37 8.10 1n75A1 LEU 266 HA -0.02 0.01 0.38 -0.75 4.35 3.97 1n75A1 LEU 266 HB2 -0.04 -0.01 0.00 -0.04 1.64 1.55 1n75A1 LEU 266 HB3 -0.19 0.10 0.07 -0.04 1.64 1.57 1n75A1 LEU 266 HG -0.05 0.03 -0.26 -0.04 1.64 1.33 1n75A1 LEU 266 HD13 -0.08 -0.02 -0.01 -0.04 0.93 0.77 1n75A1 LEU 266 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.79 1n75A1 ARG 267 H -0.24 0.63 -0.19 -0.55 8.46 8.10 1n75A1 ARG 267 HA -0.12 -0.03 0.39 -0.75 4.34 3.83 1n75A1 ARG 267 HB2 -0.23 0.11 0.18 -0.04 1.90 1.92 1n75A1 ARG 267 HB3 -0.23 0.03 0.17 -0.04 1.80 1.74 1n75A1 ARG 267 HG2 -0.17 -0.08 -0.01 -0.04 1.67 1.36 1n75A1 ARG 267 HG3 -0.17 0.13 0.01 -0.04 1.67 1.59 1n75A1 ARG 267 HD2 -0.23 -0.01 -0.66 -0.04 3.22 2.28 1n75A1 ARG 267 HD3 -0.14 -0.06 -0.12 -0.04 3.22 2.86 1n75A1 ASN 268 H -0.21 0.42 -0.27 -0.55 8.53 7.93 1n75A1 ASN 268 HA -0.32 0.02 0.37 -0.75 4.76 4.08 1n75A1 ASN 268 HB2 -0.15 0.16 0.25 -0.04 2.88 3.10 1n75A1 ASN 268 HB3 -0.08 0.06 0.19 -0.04 2.79 2.92 1n75A1 ASN 268 HD21 -1.12 0.20 0.10 -0.04 7.03 6.16 1n75A1 ASN 268 HD22 -0.51 -0.09 0.17 -0.04 7.74 7.28 1n75A1 TYR 269 H 0.05 0.45 -0.26 -0.55 8.29 7.98 1n75A1 TYR 269 HA 0.01 0.09 0.43 -0.75 4.56 4.33 1n75A1 TYR 269 HB2 -0.03 0.03 0.09 -0.04 3.06 3.11 1n75A1 TYR 269 HB3 -0.03 0.05 0.11 -0.04 2.98 3.07 1n75A1 TYR 269 HD2 -0.06 0.03 -0.05 -0.04 7.15 7.03 1n75A1 TYR 269 HE2 -0.50 -0.04 -0.06 -0.04 6.85 6.20 1n75A1 LEU 270 H 0.04 0.57 -0.09 -0.55 8.37 8.34 1n75A1 LEU 270 HA 0.02 -0.03 0.44 -0.75 4.35 4.02 1n75A1 LEU 270 HB2 0.02 0.16 0.10 -0.04 1.64 1.88 1n75A1 LEU 270 HB3 0.22 -0.07 0.02 -0.04 1.64 1.77 1n75A1 LEU 270 HG 0.11 0.22 0.04 -0.04 1.64 1.97 1n75A1 LEU 270 HD13 0.07 -0.04 -0.13 -0.04 0.93 0.79 1n75A1 LEU 270 HD23 0.10 -0.04 -0.03 -0.04 0.89 0.88 1n75A1 CYS 271 H -0.12 0.42 -0.42 -0.55 8.50 7.83 1n75A1 CYS 271 HA -0.40 -0.02 0.31 -0.75 4.58 3.71 1n75A1 CYS 271 HB2 -0.16 0.32 0.10 -0.04 2.97 3.18 1n75A1 CYS 271 HB3 -0.11 -0.04 -0.11 -0.04 2.97 2.67 1n75A1 LEU 272 H 0.05 0.30 -0.38 -0.55 8.37 7.79 1n75A1 LEU 272 HA 0.33 0.32 0.60 -0.75 4.35 4.85 1n75A1 LEU 272 HB2 0.00 0.08 0.13 -0.04 1.64 1.81 1n75A1 LEU 272 HB3 0.13 -0.07 0.15 -0.04 1.64 1.81 1n75A1 LEU 272 HG 0.16 0.16 0.08 -0.04 1.64 2.00 1n75A1 LEU 272 HD13 0.25 -0.03 0.06 -0.04 0.93 1.17 1n75A1 LEU 272 HD23 0.43 0.00 0.05 -0.04 0.89 1.33 1n75A1 MET 273 H 0.12 0.29 -0.48 -0.55 8.47 7.85 1n75A1 MET 273 HA -0.02 0.01 0.44 -0.75 4.52 4.20 1n75A1 MET 273 HB2 0.15 0.16 0.17 -0.04 2.15 2.59 1n75A1 MET 273 HB3 -0.18 -0.05 -0.04 -0.04 2.03 1.72 1n75A1 MET 273 HG2 -0.19 0.15 0.05 -0.04 2.63 2.60 1n75A1 MET 273 HG3 -0.17 -0.15 -0.02 -0.04 2.56 2.18 1n75A1 MET 273 HE3 -0.70 0.05 -0.18 -0.04 2.10 1.23 1n75A1 GLY 274 H 0.50 0.20 -0.10 -0.55 8.43 8.48 1n75A1 GLY 274 HA2 0.18 0.24 0.92 -0.51 4.01 4.83 1n75A1 GLY 274 HA3 0.09 -0.05 0.36 -0.51 4.01 3.90 1n75A1 PHE 275 H 0.35 0.35 -0.44 -0.55 8.34 8.05 1n75A1 PHE 275 HA 0.16 0.24 0.55 -0.75 4.62 4.81 1n75A1 PHE 275 HB2 0.54 0.13 -0.08 -0.04 3.15 3.70 1n75A1 PHE 275 HB3 0.56 0.21 -0.18 -0.04 3.06 3.61 1n75A1 PHE 275 HD2 0.09 0.02 -0.29 -0.04 7.28 7.05 1n75A1 PHE 275 HE2 -0.21 -0.11 -0.16 -0.04 7.38 6.85 1n75A1 PHE 275 HZ -0.13 0.00 -0.23 -0.04 7.32 6.92 1n75A1 SER 276 H -0.87 0.36 0.20 -0.55 8.46 7.59 1n75A1 SER 276 HA -0.03 0.15 0.83 -0.75 4.49 4.69 1n75A1 SER 276 HB2 -0.08 0.01 0.05 -0.04 3.95 3.89 1n75A1 SER 276 HB3 -0.06 0.01 -0.09 -0.04 3.93 3.75 1n75A1 MET 277 H -0.04 0.20 0.05 -0.55 8.47 8.14 1n75A1 MET 277 HA -0.15 0.18 0.49 -0.75 4.52 4.29 1n75A1 MET 277 HB2 -0.10 0.18 0.01 -0.04 2.15 2.20 1n75A1 MET 277 HB3 -0.03 -0.27 -0.05 -0.04 2.03 1.65 1n75A1 MET 277 HG2 -0.14 -0.05 -0.09 -0.04 2.63 2.31 1n75A1 MET 277 HG3 -0.07 -0.07 0.02 -0.04 2.56 2.40 1n75A1 MET 277 HE3 -0.89 -0.02 -0.26 -0.04 2.10 0.89 1n75A1 PRO 278 HA -0.08 0.14 0.42 -0.51 4.44 4.40 1n75A1 PRO 278 HB2 -0.03 -0.09 0.14 -0.04 2.28 2.25 1n75A1 PRO 278 HB3 -0.04 0.04 0.08 -0.04 2.02 2.06 1n75A1 PRO 278 HG2 -0.03 0.06 0.11 -0.04 2.03 2.12 1n75A1 PRO 278 HG3 -0.07 0.10 0.11 -0.04 2.03 2.12 1n75A1 PRO 278 HD2 -0.04 0.02 0.21 -0.04 3.68 3.83 1n75A1 PRO 278 HD3 -0.08 0.28 0.25 -0.04 3.65 4.06 1n75A1 ASP 279 H -0.02 0.11 -0.07 -0.55 8.40 7.86 1n75A1 ASP 279 HA -0.00 0.13 0.40 -0.75 4.63 4.40 1n75A1 ASP 279 HB2 0.01 0.03 0.11 -0.04 2.71 2.82 1n75A1 ASP 279 HB3 0.00 0.02 0.08 -0.04 2.70 2.76 1n75A1 GLY 280 H -0.02 0.27 -0.93 -0.55 8.43 7.21 1n75A1 GLY 280 HA2 0.02 0.12 0.24 -0.51 4.01 3.88 1n75A1 GLY 280 HA3 0.03 0.09 0.48 -0.51 4.01 4.10 1n75A1 ARG 281 H 0.06 -0.06 -0.38 -0.55 8.46 7.53 1n75A1 ARG 281 HA 0.13 0.03 0.32 -0.75 4.34 4.07 1n75A1 ARG 281 HB2 0.13 -0.04 -0.07 -0.04 1.90 1.88 1n75A1 ARG 281 HB3 0.23 0.04 -0.10 -0.04 1.80 1.92 1n75A1 ARG 281 HG2 0.08 0.03 -0.00 -0.04 1.67 1.74 1n75A1 ARG 281 HG3 0.06 -0.04 -0.06 -0.04 1.67 1.58 1n75A1 ARG 281 HD2 0.11 0.09 0.00 -0.04 3.22 3.39 1n75A1 ARG 281 HD3 0.06 -0.00 -0.01 -0.04 3.22 3.22 1n75A1 GLU 282 H 0.21 0.01 0.19 -0.55 8.60 8.46 1n75A1 GLU 282 HA 0.37 0.26 0.87 -0.75 4.29 5.04 1n75A1 GLU 282 HB2 0.29 -0.06 0.08 -0.04 2.09 2.35 1n75A1 GLU 282 HB3 0.29 -0.01 0.05 -0.04 1.99 2.28 1n75A1 GLU 282 HG2 0.19 0.11 -0.07 -0.04 2.34 2.54 1n75A1 GLU 282 HG3 0.16 0.05 -0.02 -0.04 2.34 2.49 1n75A1 ILE 283 H 0.18 -0.01 0.07 -0.55 8.25 7.94 1n75A1 ILE 283 HA -0.11 0.20 0.86 -0.75 4.18 4.38 1n75A1 ILE 283 HB -0.04 -0.02 0.13 -0.04 1.89 1.92 1n75A1 ILE 283 HG12 0.05 -0.09 -0.05 -0.04 1.49 1.35 1n75A1 ILE 283 HG13 -0.19 0.04 -0.05 -0.04 1.21 0.97 1n75A1 ILE 283 HG23 -0.36 0.01 -0.16 -0.04 0.93 0.37 1n75A1 ILE 283 HD13 -0.11 0.05 -0.16 -0.04 0.88 0.62 1n75A1 PHE 284 H -0.45 0.36 0.13 -0.55 8.34 7.82 1n75A1 PHE 284 HA 0.03 0.08 0.53 -0.75 4.62 4.51 1n75A1 PHE 284 HB2 0.09 -0.08 -0.03 -0.04 3.15 3.09 1n75A1 PHE 284 HB3 0.08 0.08 -0.20 -0.04 3.06 2.97 1n75A1 PHE 284 HD2 0.12 0.00 -0.61 -0.04 7.28 6.75 1n75A1 PHE 284 HE2 0.07 0.05 -0.17 -0.04 7.38 7.30 1n75A1 PHE 284 HZ 0.20 0.07 -0.25 -0.04 7.32 7.30 1n75A1 THR 285 H 0.22 0.09 0.11 -0.55 8.28 8.16 1n75A1 THR 285 HA 0.09 0.22 0.57 -0.75 4.39 4.51 1n75A1 THR 285 HB 0.07 -0.03 0.17 -0.04 4.32 4.49 1n75A1 THR 285 HG23 0.06 0.05 0.03 -0.04 1.22 1.32 1n75A1 LEU 286 H 0.06 0.20 0.18 -0.55 8.37 8.26 1n75A1 LEU 286 HA 0.14 0.16 0.40 -0.75 4.35 4.30 1n75A1 LEU 286 HB2 -0.01 0.08 0.11 -0.04 1.64 1.78 1n75A1 LEU 286 HB3 0.04 -0.04 0.14 -0.04 1.64 1.74 1n75A1 LEU 286 HG 0.17 -0.02 -0.26 -0.04 1.64 1.49 1n75A1 LEU 286 HD13 0.15 -0.00 -0.01 -0.04 0.93 1.03 1n75A1 LEU 286 HD23 -0.07 0.02 -0.07 -0.04 0.89 0.73 1n75A1 GLU 287 H 0.09 0.06 -0.10 -0.55 8.60 8.10 1n75A1 GLU 287 HA 0.06 0.16 0.39 -0.75 4.29 4.14 1n75A1 GLU 287 HB2 0.05 0.02 0.08 -0.04 2.09 2.19 1n75A1 GLU 287 HB3 0.05 -0.03 -0.01 -0.04 1.99 1.96 1n75A1 GLU 287 HG2 0.02 0.03 -0.02 -0.04 2.34 2.32 1n75A1 GLU 287 HG3 0.01 0.02 -0.10 -0.04 2.34 2.23 1n75A1 GLU 288 H 0.14 -0.00 -0.39 -0.55 8.60 7.80 1n75A1 GLU 288 HA 0.05 0.10 0.40 -0.75 4.29 4.08 1n75A1 GLU 288 HB2 0.25 0.06 0.05 -0.04 2.09 2.40 1n75A1 GLU 288 HB3 0.08 0.07 -0.06 -0.04 1.99 2.03 1n75A1 GLU 288 HG2 0.06 0.08 0.01 -0.04 2.34 2.45 1n75A1 GLU 288 HG3 0.09 -0.09 0.02 -0.04 2.34 2.32 1n75A1 PHE 289 H 0.31 0.34 -0.37 -0.55 8.34 8.06 1n75A1 PHE 289 HA -0.20 0.05 0.29 -0.75 4.62 4.01 1n75A1 PHE 289 HB2 0.29 0.01 -0.01 -0.04 3.15 3.39 1n75A1 PHE 289 HB3 0.01 0.17 0.14 -0.04 3.06 3.34 1n75A1 PHE 289 HD2 -0.30 -0.01 -0.11 -0.04 7.28 6.82 1n75A1 PHE 289 HE2 -0.79 0.06 -0.16 -0.04 7.38 6.45 1n75A1 PHE 289 HZ -1.43 -0.00 -0.14 -0.04 7.32 5.71 1n75A1 ILE 290 H 0.04 0.42 -0.14 -0.55 8.25 8.02 1n75A1 ILE 290 HA -0.41 0.03 0.36 -0.75 4.18 3.41 1n75A1 ILE 290 HB -0.06 0.04 0.12 -0.04 1.89 1.95 1n75A1 ILE 290 HG12 -0.18 -0.05 0.01 -0.04 1.49 1.23 1n75A1 ILE 290 HG13 0.06 0.13 0.06 -0.04 1.21 1.41 1n75A1 ILE 290 HG23 -0.18 0.02 -0.18 -0.04 0.93 0.55 1n75A1 ILE 290 HD13 0.05 -0.03 -0.09 -0.04 0.88 0.77 1n75A1 GLN 291 H -0.05 0.43 -0.20 -0.55 8.47 8.11 1n75A1 GLN 291 HA -0.05 0.08 0.43 -0.75 4.36 4.06 1n75A1 GLN 291 HB2 -0.01 0.00 0.10 -0.04 2.15 2.19 1n75A1 GLN 291 HB3 -0.02 -0.05 0.05 -0.04 2.02 1.96 1n75A1 GLN 291 HG2 -0.03 -0.01 0.02 -0.04 2.40 2.34 1n75A1 GLN 291 HG3 -0.02 0.35 0.12 -0.04 2.39 2.81 1n75A1 GLN 291 HE21 -0.00 -0.06 -0.03 -0.04 6.97 6.83 1n75A1 GLN 291 HE22 -0.02 0.04 -0.02 -0.04 7.69 7.66 1n75A1 ALA 292 H -0.08 0.36 -0.38 -0.55 8.40 7.76 1n75A1 ALA 292 HA -0.00 0.10 0.70 -0.75 4.34 4.38 1n75A1 ALA 292 HB3 0.04 -0.04 0.07 -0.04 1.41 1.44 1n75A1 PHE 293 H -0.15 0.25 -0.36 -0.55 8.34 7.53 1n75A1 PHE 293 HA -0.38 -0.03 0.32 -0.75 4.62 3.77 1n75A1 PHE 293 HB2 -0.92 0.07 0.05 -0.04 3.15 2.32 1n75A1 PHE 293 HB3 -0.36 0.08 0.05 -0.04 3.06 2.79 1n75A1 PHE 293 HD2 -0.76 0.03 -0.22 -0.04 7.28 6.29 1n75A1 PHE 293 HE2 -0.95 -0.01 -0.12 -0.04 7.38 6.25 1n75A1 PHE 293 HZ -2.22 -0.03 -0.11 -0.04 7.32 4.91 1n75A1 THR 294 H -0.78 0.29 0.20 -0.55 8.28 7.43 1n75A1 THR 294 HA -0.27 0.12 0.60 -0.75 4.39 4.09 1n75A1 THR 294 HB -0.04 0.22 -0.06 -0.04 4.32 4.40 1n75A1 THR 294 HG23 -0.06 0.00 0.01 -0.04 1.22 1.13 1n75A1 TRP 295 H -0.16 0.21 0.13 -0.55 7.97 7.61 1n75A1 TRP 295 HA -0.22 0.14 0.48 -0.75 4.62 4.26 1n75A1 TRP 295 HB2 -0.10 0.01 0.08 -0.04 3.23 3.17 1n75A1 TRP 295 HB3 -0.05 0.05 0.06 -0.04 3.23 3.25 1n75A1 TRP 295 HD1 -0.66 0.03 0.01 -0.04 7.22 6.56 1n75A1 TRP 295 HE1 -3.87 0.04 -0.06 -0.04 10.20 6.26 1n75A1 TRP 295 HE3 0.01 0.05 0.03 -0.04 7.59 7.63 1n75A1 TRP 295 HZ2 -1.18 0.01 -0.09 -0.04 7.44 6.14 1n75A1 TRP 295 HZ3 0.02 0.02 -0.08 -0.04 7.13 7.05 1n75A1 TRP 295 HH2 -0.15 -0.03 -0.11 -0.04 7.19 6.85 1n75A1 GLU 296 H 0.03 0.03 -0.31 -0.55 8.60 7.81 1n75A1 GLU 296 HA 0.07 0.12 0.41 -0.75 4.29 4.13 1n75A1 GLU 296 HB2 -0.00 0.04 -0.04 -0.04 2.09 2.04 1n75A1 GLU 296 HB3 0.02 0.02 0.06 -0.04 1.99 2.05 1n75A1 GLU 296 HG2 0.06 0.03 0.02 -0.04 2.34 2.42 1n75A1 GLU 296 HG3 0.08 -0.13 0.06 -0.04 2.34 2.31 1n75A1 ARG 297 H -0.07 0.29 -0.38 -0.55 8.46 7.74 1n75A1 ARG 297 HA -0.08 0.18 0.80 -0.75 4.34 4.48 1n75A1 ARG 297 HB2 -0.28 0.08 0.12 -0.04 1.90 1.77 1n75A1 ARG 297 HB3 -0.48 -0.02 0.23 -0.04 1.80 1.50 1n75A1 ARG 297 HG2 -0.13 -0.01 -0.12 -0.04 1.67 1.38 1n75A1 ARG 297 HG3 -0.11 -0.09 -0.06 -0.04 1.67 1.37 1n75A1 ARG 297 HD2 -0.13 -0.10 0.01 -0.04 3.22 2.95 1n75A1 ARG 297 HD3 -0.31 0.08 0.08 -0.04 3.22 3.03 1n75A1 VAL 298 H 0.09 0.37 -0.38 -0.55 8.24 7.76 1n75A1 VAL 298 HA 0.20 0.21 0.73 -0.75 4.13 4.51 1n75A1 VAL 298 HB 0.33 0.03 0.20 -0.04 2.12 2.65 1n75A1 VAL 298 HG13 0.24 0.04 -0.04 -0.04 0.97 1.17 1n75A1 VAL 298 HG23 0.19 0.04 0.06 -0.04 0.95 1.20 1n75A1 SER 299 H 0.11 0.13 -0.06 -0.55 8.46 8.10 1n75A1 SER 299 HA 0.05 0.04 0.44 -0.75 4.49 4.27 1n75A1 SER 299 HB2 0.04 0.04 0.02 -0.04 3.95 4.01 1n75A1 SER 299 HB3 0.07 0.11 0.02 -0.04 3.93 4.09 1n75A1 LEU 300 H 0.05 0.04 0.20 -0.55 8.37 8.10 1n75A1 LEU 300 HA 0.07 0.20 0.78 -0.75 4.35 4.64 1n75A1 LEU 300 HB2 0.03 -0.06 0.08 -0.04 1.64 1.65 1n75A1 LEU 300 HB3 0.03 -0.06 0.07 -0.04 1.64 1.64 1n75A1 LEU 300 HG 0.05 0.07 0.02 -0.04 1.64 1.74 1n75A1 LEU 300 HD13 0.02 0.02 0.01 -0.04 0.93 0.94 1n75A1 LEU 300 HD23 0.07 0.02 -0.08 -0.04 0.89 0.85 1n75A1 GLY 301 H 0.04 -0.06 0.01 -0.55 8.43 7.87 1n75A1 GLY 301 HA2 0.02 0.02 0.41 -0.51 4.01 3.95 1n75A1 GLY 301 HA3 0.02 0.01 0.26 -0.51 4.01 3.79 1n75A1 GLY 302 H 0.02 0.04 0.11 -0.55 8.43 8.05 1n75A1 GLY 302 HA2 0.02 0.19 0.49 -0.51 4.01 4.20 1n75A1 GLY 302 HA3 0.01 -0.06 0.28 -0.51 4.01 3.74 1n75A1 PRO 303 HA 0.02 0.04 0.45 -0.51 4.44 4.44 1n75A1 PRO 303 HB2 -0.07 -0.22 -0.02 -0.04 2.28 1.92 1n75A1 PRO 303 HB3 0.01 0.30 0.15 -0.04 2.02 2.44 1n75A1 PRO 303 HG2 0.06 -0.07 -0.20 -0.04 2.03 1.78 1n75A1 PRO 303 HG3 0.06 0.18 -0.00 -0.04 2.03 2.23 1n75A1 PRO 303 HD2 -0.00 0.24 -0.07 -0.04 3.68 3.80 1n75A1 PRO 303 HD3 0.04 0.29 0.24 -0.04 3.65 4.18 1n75A1 VAL 304 H 0.03 0.18 0.16 -0.55 8.24 8.05 1n75A1 VAL 304 HA 0.06 0.18 0.61 -0.75 4.13 4.22 1n75A1 VAL 304 HB 0.05 -0.02 0.12 -0.04 2.12 2.23 1n75A1 VAL 304 HG13 0.06 -0.04 -0.38 -0.04 0.97 0.57 1n75A1 VAL 304 HG23 0.03 0.04 -0.05 -0.04 0.95 0.92 1n75A1 PHE 305 H 0.19 0.71 0.26 -0.55 8.34 8.94 1n75A1 PHE 305 HA 0.09 0.12 0.64 -0.75 4.62 4.71 1n75A1 PHE 305 HB2 -0.07 0.03 0.01 -0.04 3.15 3.08 1n75A1 PHE 305 HB3 0.02 -0.01 0.12 -0.04 3.06 3.15 1n75A1 PHE 305 HD2 -0.01 0.03 -0.09 -0.04 7.28 7.17 1n75A1 PHE 305 HE2 0.13 0.03 -0.09 -0.04 7.38 7.41 1n75A1 PHE 305 HZ -0.29 -0.02 -0.08 -0.04 7.32 6.89 1n75A1 ASP 306 H 0.16 0.33 0.08 -0.55 8.40 8.42 1n75A1 ASP 306 HA 0.02 0.14 0.88 -0.75 4.63 4.91 1n75A1 ASP 306 HB2 0.05 0.14 -0.05 -0.04 2.71 2.81 1n75A1 ASP 306 HB3 0.05 0.03 0.16 -0.04 2.70 2.90 1n75A1 LEU 307 H 0.00 0.26 0.18 -0.55 8.37 8.27 1n75A1 LEU 307 HA -0.11 0.09 0.37 -0.75 4.35 3.94 1n75A1 LEU 307 HB2 0.13 0.06 0.14 -0.04 1.64 1.92 1n75A1 LEU 307 HB3 0.09 0.01 0.13 -0.04 1.64 1.83 1n75A1 LEU 307 HG 0.22 0.02 -0.14 -0.04 1.64 1.69 1n75A1 LEU 307 HD13 0.32 -0.01 0.04 -0.04 0.93 1.24 1n75A1 LEU 307 HD23 0.25 0.02 0.01 -0.04 0.89 1.12 1n75A1 GLU 308 H 0.01 0.10 -0.18 -0.55 8.60 7.99 1n75A1 GLU 308 HA 0.08 0.12 0.43 -0.75 4.29 4.16 1n75A1 GLU 308 HB2 0.01 -0.01 0.03 -0.04 2.09 2.09 1n75A1 GLU 308 HB3 0.03 0.09 0.01 -0.04 1.99 2.08 1n75A1 GLU 308 HG2 0.04 -0.08 0.05 -0.04 2.34 2.31 1n75A1 GLU 308 HG3 0.03 0.08 0.02 -0.04 2.34 2.43 1n75A1 LYS 309 H -0.06 0.12 -0.26 -0.55 8.42 7.67 1n75A1 LYS 309 HA 0.03 0.11 0.48 -0.75 4.32 4.19 1n75A1 LYS 309 HB2 -0.01 -0.02 0.10 -0.04 1.87 1.89 1n75A1 LYS 309 HB3 -0.12 0.10 0.15 -0.04 1.79 1.88 1n75A1 LYS 309 HG2 0.24 0.08 0.02 -0.04 1.46 1.76 1n75A1 LYS 309 HG3 0.05 -0.00 -0.13 -0.04 1.46 1.34 1n75A1 LYS 309 HD2 -0.02 -0.07 0.10 -0.04 1.69 1.66 1n75A1 LYS 309 HD3 -0.15 -0.00 0.03 -0.04 1.68 1.52 1n75A1 LYS 309 HE2 0.25 0.00 -0.00 -0.04 2.99 3.20 1n75A1 LYS 309 HE3 -0.45 0.00 0.00 -0.04 2.99 2.51 1n75A1 LEU 310 H -0.38 0.42 -0.11 -0.55 8.37 7.75 1n75A1 LEU 310 HA -0.63 0.07 0.38 -0.75 4.35 3.42 1n75A1 LEU 310 HB2 -0.62 0.06 0.07 -0.04 1.64 1.11 1n75A1 LEU 310 HB3 -0.13 0.07 0.07 -0.04 1.64 1.61 1n75A1 LEU 310 HG -0.36 0.03 -0.03 -0.04 1.64 1.23 1n75A1 LEU 310 HD13 -0.42 -0.01 -0.07 -0.04 0.93 0.39 1n75A1 LEU 310 HD23 -0.06 -0.01 -0.09 -0.04 0.89 0.68 1n75A1 ARG 311 H 0.10 0.66 -0.07 -0.55 8.46 8.60 1n75A1 ARG 311 HA 0.26 0.02 0.38 -0.75 4.34 4.24 1n75A1 ARG 311 HB2 0.14 0.09 0.13 -0.04 1.90 2.22 1n75A1 ARG 311 HB3 0.10 -0.03 0.00 -0.04 1.80 1.84 1n75A1 ARG 311 HG2 0.37 -0.04 -0.00 -0.04 1.67 1.96 1n75A1 ARG 311 HG3 0.33 0.22 0.10 -0.04 1.67 2.27 1n75A1 ARG 311 HD2 0.26 -0.05 -0.06 -0.04 3.22 3.33 1n75A1 ARG 311 HD3 0.15 -0.02 -0.05 -0.04 3.22 3.26 1n75A1 TRP 312 H 0.23 0.36 -0.41 -0.55 7.97 7.61 1n75A1 TRP 312 HA -0.02 0.04 0.42 -0.75 4.62 4.30 1n75A1 TRP 312 HB2 -0.02 0.02 0.13 -0.04 3.23 3.31 1n75A1 TRP 312 HB3 -0.05 0.16 0.21 -0.04 3.23 3.51 1n75A1 TRP 312 HD1 -0.02 0.00 0.01 -0.04 7.22 7.18 1n75A1 TRP 312 HE1 -0.02 0.01 -0.03 -0.04 10.20 10.13 1n75A1 TRP 312 HE3 -0.02 0.12 -0.03 -0.04 7.59 7.61 1n75A1 TRP 312 HZ2 -0.01 0.01 -0.03 -0.04 7.44 7.37 1n75A1 TRP 312 HZ3 0.04 0.02 -0.05 -0.04 7.13 7.10 1n75A1 TRP 312 HH2 0.01 -0.02 -0.04 -0.04 7.19 7.11 1n75A1 MET 313 H 0.16 0.54 -0.09 -0.55 8.47 8.53 1n75A1 MET 313 HA -0.59 0.02 0.44 -0.75 4.52 3.64 1n75A1 MET 313 HB2 0.18 0.05 0.11 -0.04 2.15 2.46 1n75A1 MET 313 HB3 -0.01 0.08 0.15 -0.04 2.03 2.20 1n75A1 MET 313 HG2 0.09 -0.10 -0.11 -0.04 2.63 2.47 1n75A1 MET 313 HG3 0.06 -0.05 0.04 -0.04 2.56 2.58 1n75A1 MET 313 HE3 0.27 0.07 -0.06 -0.04 2.10 2.33 1n75A1 ASN 314 H -0.01 0.60 -0.14 -0.55 8.53 8.43 1n75A1 ASN 314 HA -0.04 -0.12 0.47 -0.75 4.76 4.32 1n75A1 ASN 314 HB2 0.15 0.03 0.15 -0.04 2.88 3.17 1n75A1 ASN 314 HB3 -0.07 0.32 0.21 -0.04 2.79 3.21 1n75A1 ASN 314 HD21 -0.21 0.08 0.34 -0.04 7.03 7.20 1n75A1 ASN 314 HD22 -0.26 0.72 0.40 -0.04 7.74 8.56 1n75A1 GLY 315 H -0.14 0.52 -0.09 -0.55 8.43 8.18 1n75A1 GLY 315 HA2 -0.19 0.10 0.56 -0.51 4.01 3.96 1n75A1 GLY 315 HA3 -0.20 0.07 0.37 -0.51 4.01 3.75 1n75A1 LYS 316 H -0.47 0.53 -0.15 -0.55 8.42 7.77 1n75A1 LYS 316 HA -0.35 0.05 0.41 -0.75 4.32 3.67 1n75A1 LYS 316 HB2 -1.10 0.04 0.10 -0.04 1.87 0.87 1n75A1 LYS 316 HB3 -0.71 0.09 0.15 -0.04 1.79 1.27 1n75A1 LYS 316 HG2 -0.45 -0.03 -0.15 -0.04 1.46 0.79 1n75A1 LYS 316 HG3 -0.34 -0.03 0.04 -0.04 1.46 1.08 1n75A1 LYS 316 HD2 -0.95 0.00 -0.03 -0.04 1.69 0.66 1n75A1 LYS 316 HD3 -0.21 -0.03 -0.03 -0.04 1.68 1.37 1n75A1 LYS 316 HE2 0.15 -0.02 -0.02 -0.04 2.99 3.06 1n75A1 LYS 316 HE3 -0.13 0.00 -0.01 -0.04 2.99 2.81 1n75A1 TYR 317 H -0.05 0.48 -0.28 -0.55 8.29 7.89 1n75A1 TYR 317 HA -0.16 -0.02 0.54 -0.75 4.56 4.17 1n75A1 TYR 317 HB2 -0.16 0.19 0.25 -0.04 3.06 3.31 1n75A1 TYR 317 HB3 -0.12 -0.07 0.01 -0.04 2.98 2.75 1n75A1 TYR 317 HD2 -0.15 0.14 -0.01 -0.04 7.15 7.10 1n75A1 TYR 317 HE2 -0.13 0.01 -0.05 -0.04 6.85 6.64 1n75A1 ILE 318 H -0.08 0.52 -0.08 -0.55 8.25 8.07 1n75A1 ILE 318 HA -0.07 -0.08 0.39 -0.75 4.18 3.67 1n75A1 ILE 318 HB -0.22 0.16 0.23 -0.04 1.89 2.02 1n75A1 ILE 318 HG12 -0.04 -0.13 0.00 -0.04 1.49 1.29 1n75A1 ILE 318 HG13 -0.07 0.17 0.12 -0.04 1.21 1.38 1n75A1 ILE 318 HG23 -0.35 -0.01 -0.15 -0.04 0.93 0.39 1n75A1 ILE 318 HD13 -0.01 -0.01 -0.28 -0.04 0.88 0.55 1n75A1 ARG 319 H -0.19 0.46 -0.16 -0.55 8.46 8.02 1n75A1 ARG 319 HA -0.14 0.21 1.00 -0.75 4.34 4.65 1n75A1 ARG 319 HB2 -0.14 -0.07 0.09 -0.04 1.90 1.74 1n75A1 ARG 319 HB3 -0.20 0.05 -0.06 -0.04 1.80 1.54 1n75A1 ARG 319 HG2 -0.23 0.34 0.11 -0.04 1.67 1.86 1n75A1 ARG 319 HG3 -0.18 -0.07 -0.06 -0.04 1.67 1.32 1n75A1 ARG 319 HD2 -0.13 -0.09 -0.05 -0.04 3.22 2.91 1n75A1 ARG 319 HD3 -0.19 0.11 -0.04 -0.04 3.22 3.06 1n75A1 GLU 320 H -0.16 0.10 -0.17 -0.55 8.60 7.81 1n75A1 GLU 320 HA -0.11 0.16 0.90 -0.75 4.29 4.49 1n75A1 GLU 320 HB2 -0.21 0.23 0.10 -0.04 2.09 2.18 1n75A1 GLU 320 HB3 -0.14 -0.09 0.07 -0.04 1.99 1.79 1n75A1 GLU 320 HG2 -0.10 0.04 -0.06 -0.04 2.34 2.19 1n75A1 GLU 320 HG3 -0.15 -0.07 -0.41 -0.04 2.34 1.67 1n75A1 VAL 321 H -0.17 0.20 0.21 -0.55 8.24 7.94 1n75A1 VAL 321 HA -0.16 0.16 0.91 -0.75 4.13 4.29 1n75A1 VAL 321 HB -0.18 0.01 0.25 -0.04 2.12 2.16 1n75A1 VAL 321 HG13 -0.15 -0.03 -0.10 -0.04 0.97 0.65 1n75A1 VAL 321 HG23 -0.78 0.03 -0.06 -0.04 0.95 0.09 1n75A1 LEU 322 H -0.05 0.53 0.20 -0.55 8.37 8.50 1n75A1 LEU 322 HA -0.02 0.03 0.55 -0.75 4.35 4.14 1n75A1 LEU 322 HB2 -0.03 0.18 0.08 -0.04 1.64 1.83 1n75A1 LEU 322 HB3 -0.03 -0.07 0.05 -0.04 1.64 1.55 1n75A1 LEU 322 HG 0.01 -0.04 0.00 -0.04 1.64 1.56 1n75A1 LEU 322 HD13 0.10 -0.01 -0.09 -0.04 0.93 0.89 1n75A1 LEU 322 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.73 1n75A1 SER 323 H -0.03 0.00 0.17 -0.55 8.46 8.06 1n75A1 SER 323 HA -0.04 0.28 0.62 -0.75 4.49 4.59 1n75A1 SER 323 HB2 -0.03 -0.01 0.15 -0.04 3.95 4.02 1n75A1 SER 323 HB3 -0.03 0.14 0.11 -0.04 3.93 4.11 1n75A1 LEU 324 H -0.04 0.21 0.15 -0.55 8.37 8.14 1n75A1 LEU 324 HA -0.06 0.21 0.37 -0.75 4.35 4.11 1n75A1 LEU 324 HB2 -0.04 0.07 0.16 -0.04 1.64 1.78 1n75A1 LEU 324 HB3 -0.04 -0.06 0.08 -0.04 1.64 1.58 1n75A1 LEU 324 HG -0.04 0.02 0.02 -0.04 1.64 1.59 1n75A1 LEU 324 HD13 -0.07 0.02 -0.01 -0.04 0.93 0.83 1n75A1 LEU 324 HD23 -0.05 0.03 -0.02 -0.04 0.89 0.80 1n75A1 GLU 325 H -0.04 0.08 -0.16 -0.55 8.60 7.94 1n75A1 GLU 325 HA -0.05 0.10 0.40 -0.75 4.29 3.99 1n75A1 GLU 325 HB2 -0.03 -0.01 0.03 -0.04 2.09 2.04 1n75A1 GLU 325 HB3 -0.02 0.05 0.00 -0.04 1.99 1.98 1n75A1 GLU 325 HG2 -0.01 0.05 0.01 -0.04 2.34 2.35 1n75A1 GLU 325 HG3 -0.02 0.03 0.01 -0.04 2.34 2.31 1n75A1 GLU 326 H -0.04 0.09 -0.30 -0.55 8.60 7.81 1n75A1 GLU 326 HA -0.03 0.08 0.49 -0.75 4.29 4.08 1n75A1 GLU 326 HB2 -0.03 0.07 0.16 -0.04 2.09 2.25 1n75A1 GLU 326 HB3 -0.02 0.05 0.05 -0.04 1.99 2.02 1n75A1 GLU 326 HG2 -0.02 0.06 0.04 -0.04 2.34 2.39 1n75A1 GLU 326 HG3 -0.02 -0.09 0.06 -0.04 2.34 2.25 1n75A1 VAL 327 H -0.06 0.51 -0.17 -0.55 8.24 7.97 1n75A1 VAL 327 HA -0.06 0.02 0.39 -0.75 4.13 3.73 1n75A1 VAL 327 HB -0.08 0.11 0.12 -0.04 2.12 2.23 1n75A1 VAL 327 HG13 -0.04 -0.01 -0.11 -0.04 0.97 0.77 1n75A1 VAL 327 HG23 -0.06 0.09 -0.00 -0.04 0.95 0.93 1n75A1 ALA 328 H -0.11 0.46 -0.17 -0.55 8.40 8.04 1n75A1 ALA 328 HA -0.28 0.04 0.32 -0.75 4.34 3.67 1n75A1 ALA 328 HB3 -0.16 0.01 0.03 -0.04 1.41 1.26 1n75A1 GLU 329 H -0.09 0.38 -0.31 -0.55 8.60 8.03 1n75A1 GLU 329 HA -0.11 0.01 0.47 -0.75 4.29 3.91 1n75A1 GLU 329 HB2 -0.04 0.12 0.20 -0.04 2.09 2.33 1n75A1 GLU 329 HB3 -0.02 -0.03 0.02 -0.04 1.99 1.92 1n75A1 GLU 329 HG2 -0.04 0.17 0.10 -0.04 2.34 2.53 1n75A1 GLU 329 HG3 -0.01 -0.05 0.04 -0.04 2.34 2.28 1n75A1 ARG 330 H -0.06 0.46 -0.12 -0.55 8.46 8.20 1n75A1 ARG 330 HA 0.03 0.04 0.43 -0.75 4.34 4.08 1n75A1 ARG 330 HB2 -0.02 0.09 0.12 -0.04 1.90 2.05 1n75A1 ARG 330 HB3 0.06 -0.06 0.08 -0.04 1.80 1.84 1n75A1 ARG 330 HG2 0.03 -0.05 0.04 -0.04 1.67 1.64 1n75A1 ARG 330 HG3 -0.01 0.33 0.14 -0.04 1.67 2.09 1n75A1 ARG 330 HD2 0.00 -0.00 -0.02 -0.04 3.22 3.16 1n75A1 ARG 330 HD3 0.04 -0.04 0.03 -0.04 3.22 3.21 1n75A1 VAL 331 H -0.15 0.41 -0.28 -0.55 8.24 7.67 1n75A1 VAL 331 HA 0.07 0.07 0.61 -0.75 4.13 4.13 1n75A1 VAL 331 HB -0.15 -0.04 0.06 -0.04 2.12 1.95 1n75A1 VAL 331 HG13 -0.46 0.04 -0.00 -0.04 0.97 0.51 1n75A1 VAL 331 HG23 -0.48 0.02 -0.06 -0.04 0.95 0.39 1n75A1 LYS 332 H -0.15 0.40 -0.34 -0.55 8.42 7.77 1n75A1 LYS 332 HA -0.33 -0.01 0.35 -0.75 4.32 3.57 1n75A1 LYS 332 HB2 -0.04 0.22 0.19 -0.04 1.87 2.20 1n75A1 LYS 332 HB3 0.12 -0.09 0.02 -0.04 1.79 1.79 1n75A1 LYS 332 HG2 -1.13 -0.10 0.05 -0.04 1.46 0.24 1n75A1 LYS 332 HG3 -0.38 0.32 0.20 -0.04 1.46 1.55 1n75A1 LYS 332 HD2 -0.02 0.04 0.11 -0.04 1.69 1.78 1n75A1 LYS 332 HD3 0.24 -0.06 0.03 -0.04 1.68 1.85 1n75A1 LYS 332 HE2 -0.32 -0.05 -0.03 -0.04 2.99 2.54 1n75A1 LYS 332 HE3 -0.21 0.03 -0.13 -0.04 2.99 2.64 1n75A1 PRO 333 HA -0.05 0.03 0.44 -0.51 4.44 4.35 1n75A1 PRO 333 HB2 -0.37 0.07 -0.00 -0.04 2.28 1.93 1n75A1 PRO 333 HB3 -0.19 -0.01 0.07 -0.04 2.02 1.85 1n75A1 PRO 333 HG2 -0.02 0.04 0.06 -0.04 2.03 2.06 1n75A1 PRO 333 HG3 -0.02 -0.01 0.05 -0.04 2.03 2.01 1n75A1 PRO 333 HD2 0.06 0.41 -0.17 -0.04 3.68 3.94 1n75A1 PRO 333 HD3 -0.00 0.21 0.11 -0.04 3.65 3.94 1n75A1 PHE 334 H 0.12 0.29 -0.44 -0.55 8.34 7.76 1n75A1 PHE 334 HA -0.04 0.04 0.51 -0.75 4.62 4.37 1n75A1 PHE 334 HB2 -0.07 0.18 0.11 -0.04 3.15 3.33 1n75A1 PHE 334 HB3 -0.07 -0.00 -0.01 -0.04 3.06 2.95 1n75A1 PHE 334 HD2 -0.07 0.11 0.03 -0.04 7.28 7.30 1n75A1 PHE 334 HE2 -0.06 0.17 -0.04 -0.04 7.38 7.41 1n75A1 PHE 334 HZ -0.04 0.15 0.03 -0.04 7.32 7.42 1n75A1 LEU 335 H 0.06 0.48 -0.04 -0.55 8.37 8.32 1n75A1 LEU 335 HA -0.02 0.04 0.44 -0.75 4.35 4.05 1n75A1 LEU 335 HB2 0.07 0.07 0.15 -0.04 1.64 1.89 1n75A1 LEU 335 HB3 0.08 0.05 -0.12 -0.04 1.64 1.60 1n75A1 LEU 335 HG -0.06 0.06 -0.09 -0.04 1.64 1.51 1n75A1 LEU 335 HD13 -0.47 -0.02 -0.17 -0.04 0.93 0.24 1n75A1 LEU 335 HD23 -0.49 -0.00 -0.11 -0.04 0.89 0.24 1n75A1 ARG 336 H 0.11 0.57 -0.03 -0.55 8.46 8.57 1n75A1 ARG 336 HA 0.06 0.10 0.41 -0.75 4.34 4.15 1n75A1 ARG 336 HB2 0.01 0.08 0.12 -0.04 1.90 2.07 1n75A1 ARG 336 HB3 0.01 -0.05 0.04 -0.04 1.80 1.76 1n75A1 ARG 336 HG2 0.19 0.01 0.06 -0.04 1.67 1.89 1n75A1 ARG 336 HG3 0.21 0.29 0.05 -0.04 1.67 2.17 1n75A1 ARG 336 HD2 0.05 -0.02 -0.02 -0.04 3.22 3.19 1n75A1 ARG 336 HD3 0.02 -0.02 -0.00 -0.04 3.22 3.18 1n75A1 GLU 337 H -0.04 0.44 -0.26 -0.55 8.60 8.20 1n75A1 GLU 337 HA -0.04 -0.01 0.41 -0.75 4.29 3.89 1n75A1 GLU 337 HB2 -0.14 0.04 0.16 -0.04 2.09 2.11 1n75A1 GLU 337 HB3 -0.06 0.12 0.15 -0.04 1.99 2.16 1n75A1 GLU 337 HG2 -0.03 0.02 -0.13 -0.04 2.34 2.16 1n75A1 GLU 337 HG3 -0.07 -0.07 0.07 -0.04 2.34 2.23 1n75A1 ALA 338 H 0.01 0.40 -0.37 -0.55 8.40 7.90 1n75A1 ALA 338 HA 0.01 0.02 0.52 -0.75 4.34 4.13 1n75A1 ALA 338 HB3 0.01 -0.00 0.09 -0.04 1.41 1.46 1n75A1 GLY 339 H 0.00 0.36 -0.68 -0.55 8.43 7.57 1n75A1 GLY 339 HA2 -0.00 0.02 0.30 -0.51 4.01 3.82 1n75A1 GLY 339 HA3 0.01 -0.01 0.47 -0.51 4.01 3.97 1n75A1 LEU 340 H 0.03 0.49 0.01 -0.55 8.37 8.36 1n75A1 LEU 340 HA 0.05 0.17 0.90 -0.75 4.35 4.72 1n75A1 LEU 340 HB2 -0.04 -0.07 -0.05 -0.04 1.64 1.44 1n75A1 LEU 340 HB3 0.04 0.03 -0.02 -0.04 1.64 1.64 1n75A1 LEU 340 HG 0.02 0.07 -0.55 -0.04 1.64 1.15 1n75A1 LEU 340 HD13 -0.00 -0.02 -0.05 -0.04 0.93 0.82 1n75A1 LEU 340 HD23 0.11 0.03 -0.12 -0.04 0.89 0.87 1n75A1 SER 341 H 0.10 0.26 0.16 -0.55 8.46 8.43 1n75A1 SER 341 HA -0.16 0.16 0.82 -0.75 4.49 4.56 1n75A1 SER 341 HB2 -0.14 0.03 -0.12 -0.04 3.95 3.68 1n75A1 SER 341 HB3 -0.06 0.03 -0.02 -0.04 3.93 3.84 1n75A1 TRP 342 H -0.62 0.22 0.09 -0.55 7.97 7.12 1n75A1 TRP 342 HA 0.30 0.21 0.84 -0.75 4.62 5.21 1n75A1 TRP 342 HB2 0.34 -0.06 0.00 -0.04 3.23 3.47 1n75A1 TRP 342 HB3 0.24 0.13 -0.14 -0.04 3.23 3.41 1n75A1 TRP 342 HD1 0.11 -0.10 -0.42 -0.04 7.22 6.77 1n75A1 TRP 342 HE1 0.04 -0.04 -0.09 -0.04 10.20 10.06 1n75A1 TRP 342 HE3 -0.12 0.04 -0.35 -0.04 7.59 7.12 1n75A1 TRP 342 HZ2 -0.00 -0.02 -0.01 -0.04 7.44 7.37 1n75A1 TRP 342 HZ3 -0.07 0.11 -0.00 -0.04 7.13 7.12 1n75A1 TRP 342 HH2 -0.03 0.01 0.00 -0.04 7.19 7.13 1n75A1 GLU 343 H 0.14 0.24 0.12 -0.55 8.60 8.56 1n75A1 GLU 343 HA -0.02 0.08 0.38 -0.75 4.29 3.97 1n75A1 GLU 343 HB2 -0.07 -0.09 0.11 -0.04 2.09 2.01 1n75A1 GLU 343 HB3 -0.04 0.01 0.06 -0.04 1.99 1.97 1n75A1 GLU 343 HG2 -0.09 0.02 0.06 -0.04 2.34 2.30 1n75A1 GLU 343 HG3 -0.16 0.03 0.13 -0.04 2.34 2.30 1n75A1 SER 344 H 0.36 0.15 -0.11 -0.55 8.46 8.31 1n75A1 SER 344 HA 0.21 0.24 0.56 -0.75 4.49 4.75 1n75A1 SER 344 HB2 0.14 -0.11 0.17 -0.04 3.95 4.11 1n75A1 SER 344 HB3 0.10 0.25 -0.10 -0.04 3.93 4.15 1n75A1 GLU 345 H 0.21 0.24 0.17 -0.55 8.60 8.67 1n75A1 GLU 345 HA 0.17 0.15 0.46 -0.75 4.29 4.31 1n75A1 GLU 345 HB2 0.10 -0.01 0.11 -0.04 2.09 2.25 1n75A1 GLU 345 HB3 0.07 0.04 0.05 -0.04 1.99 2.11 1n75A1 GLU 345 HG2 0.19 -0.01 0.11 -0.04 2.34 2.59 1n75A1 GLU 345 HG3 0.12 0.05 0.05 -0.04 2.34 2.52 1n75A1 ALA 346 H 0.13 0.11 -0.08 -0.55 8.40 8.01 1n75A1 ALA 346 HA 0.06 0.10 0.41 -0.75 4.34 4.16 1n75A1 ALA 346 HB3 0.09 0.03 0.05 -0.04 1.41 1.54 1n75A1 TYR 347 H 0.27 0.03 -0.36 -0.55 8.29 7.68 1n75A1 TYR 347 HA 0.06 0.12 0.42 -0.75 4.56 4.41 1n75A1 TYR 347 HB2 0.10 -0.00 0.07 -0.04 3.06 3.18 1n75A1 TYR 347 HB3 0.18 -0.02 0.10 -0.04 2.98 3.20 1n75A1 TYR 347 HD2 0.15 -0.03 -0.05 -0.04 7.15 7.18 1n75A1 TYR 347 HE2 -0.17 0.12 -0.05 -0.04 6.85 6.72 1n75A1 LEU 348 H 0.24 0.38 -0.14 -0.55 8.37 8.30 1n75A1 LEU 348 HA 0.17 0.09 0.39 -0.75 4.35 4.24 1n75A1 LEU 348 HB2 -0.12 0.03 0.08 -0.04 1.64 1.59 1n75A1 LEU 348 HB3 -0.10 0.03 0.16 -0.04 1.64 1.69 1n75A1 LEU 348 HG -0.26 -0.05 -0.22 -0.04 1.64 1.08 1n75A1 LEU 348 HD13 -0.16 0.00 -0.04 -0.04 0.93 0.70 1n75A1 LEU 348 HD23 -1.00 0.03 -0.05 -0.04 0.89 -0.17 1n75A1 ARG 349 H -0.01 0.60 -0.14 -0.55 8.46 8.37 1n75A1 ARG 349 HA -0.08 0.01 0.34 -0.75 4.34 3.86 1n75A1 ARG 349 HB2 -0.02 0.04 0.11 -0.04 1.90 1.99 1n75A1 ARG 349 HB3 -0.01 0.12 0.11 -0.04 1.80 1.99 1n75A1 ARG 349 HG2 -0.03 0.01 -0.16 -0.04 1.67 1.45 1n75A1 ARG 349 HG3 -0.04 -0.06 -0.04 -0.04 1.67 1.48 1n75A1 ARG 349 HD2 -0.02 -0.07 -0.04 -0.04 3.22 3.06 1n75A1 ARG 349 HD3 -0.01 -0.01 -0.03 -0.04 3.22 3.14 1n75A1 ARG 350 H -0.06 0.40 -0.31 -0.55 8.46 7.94 1n75A1 ARG 350 HA -0.04 -0.01 0.43 -0.75 4.34 3.96 1n75A1 ARG 350 HB2 -0.07 0.14 0.20 -0.04 1.90 2.12 1n75A1 ARG 350 HB3 -0.19 0.08 0.03 -0.04 1.80 1.67 1n75A1 ARG 350 HG2 -0.02 -0.05 0.05 -0.04 1.67 1.60 1n75A1 ARG 350 HG3 -0.00 0.01 0.02 -0.04 1.67 1.65 1n75A1 ARG 350 HD2 -0.02 0.04 -0.03 -0.04 3.22 3.17 1n75A1 ARG 350 HD3 -0.05 -0.02 -0.05 -0.04 3.22 3.06 1n75A1 ALA 351 H -0.21 0.54 -0.08 -0.55 8.40 8.10 1n75A1 ALA 351 HA -0.11 0.01 0.39 -0.75 4.34 3.87 1n75A1 ALA 351 HB3 -0.09 0.04 0.08 -0.04 1.41 1.40 1n75A1 VAL 352 H -0.02 0.59 -0.19 -0.55 8.24 8.07 1n75A1 VAL 352 HA -0.07 0.03 0.37 -0.75 4.13 3.71 1n75A1 VAL 352 HB -0.12 0.09 0.12 -0.04 2.12 2.17 1n75A1 VAL 352 HG13 -0.12 -0.02 -0.14 -0.04 0.97 0.65 1n75A1 VAL 352 HG23 -0.48 0.03 -0.05 -0.04 0.95 0.41 1n75A1 GLU 353 H -0.03 0.53 -0.15 -0.55 8.60 8.41 1n75A1 GLU 353 HA -0.02 -0.00 0.41 -0.75 4.29 3.92 1n75A1 GLU 353 HB2 -0.03 0.10 0.17 -0.04 2.09 2.29 1n75A1 GLU 353 HB3 -0.02 0.10 0.16 -0.04 1.99 2.19 1n75A1 GLU 353 HG2 -0.02 0.00 -0.05 -0.04 2.34 2.24 1n75A1 GLU 353 HG3 -0.03 -0.04 0.06 -0.04 2.34 2.29 1n75A1 LEU 354 H 0.01 0.58 -0.12 -0.55 8.37 8.29 1n75A1 LEU 354 HA 0.02 -0.02 0.46 -0.75 4.35 4.05 1n75A1 LEU 354 HB2 0.01 0.14 0.13 -0.04 1.64 1.88 1n75A1 LEU 354 HB3 0.03 -0.05 -0.04 -0.04 1.64 1.54 1n75A1 LEU 354 HG -0.01 -0.01 -0.08 -0.04 1.64 1.51 1n75A1 LEU 354 HD13 0.01 -0.04 -0.01 -0.04 0.93 0.86 1n75A1 LEU 354 HD23 -0.01 0.06 -0.02 -0.04 0.89 0.87 1n75A1 MET 355 H 0.16 0.44 -0.24 -0.55 8.47 8.28 1n75A1 MET 355 HA 0.16 0.08 0.63 -0.75 4.52 4.64 1n75A1 MET 355 HB2 0.57 0.08 0.06 -0.04 2.15 2.82 1n75A1 MET 355 HB3 0.53 -0.09 -0.04 -0.04 2.03 2.39 1n75A1 MET 355 HG2 0.12 0.03 -0.02 -0.04 2.63 2.72 1n75A1 MET 355 HG3 0.07 -0.02 -0.06 -0.04 2.56 2.51 1n75A1 MET 355 HE3 0.09 -0.01 -0.14 -0.04 2.10 2.00 1n75A1 ARG 356 H 0.10 0.52 -0.13 -0.55 8.46 8.40 1n75A1 ARG 356 HA -0.45 -0.05 0.30 -0.75 4.34 3.39 1n75A1 ARG 356 HB2 -0.05 0.17 0.17 -0.04 1.90 2.15 1n75A1 ARG 356 HB3 -0.10 0.02 0.03 -0.04 1.80 1.71 1n75A1 ARG 356 HG2 -0.23 -0.03 -0.10 -0.04 1.67 1.26 1n75A1 ARG 356 HG3 -0.22 -0.04 -0.02 -0.04 1.67 1.35 1n75A1 ARG 356 HD2 -0.08 -0.08 -0.02 -0.04 3.22 3.00 1n75A1 ARG 356 HD3 -0.10 -0.01 0.00 -0.04 3.22 3.08 1n75A1 PRO 357 HA -0.13 0.10 0.54 -0.51 4.44 4.44 1n75A1 PRO 357 HB2 -0.02 0.00 -0.05 -0.04 2.28 2.17 1n75A1 PRO 357 HB3 -0.05 -0.04 0.09 -0.04 2.02 1.98 1n75A1 PRO 357 HG2 -0.02 -0.01 0.01 -0.04 2.03 1.97 1n75A1 PRO 357 HG3 -0.05 0.00 -0.02 -0.04 2.03 1.92 1n75A1 PRO 357 HD2 0.00 0.23 -0.31 -0.04 3.68 3.57 1n75A1 PRO 357 HD3 -0.03 0.19 -0.10 -0.04 3.65 3.66 1n75A1 ARG 358 H -0.03 0.87 -0.29 -0.55 8.46 8.45 1n75A1 ARG 358 HA 0.01 0.16 0.95 -0.75 4.34 4.70 1n75A1 ARG 358 HB2 0.16 0.06 0.01 -0.04 1.90 2.09 1n75A1 ARG 358 HB3 0.08 -0.08 0.06 -0.04 1.80 1.82 1n75A1 ARG 358 HG2 0.03 -0.03 -0.25 -0.04 1.67 1.37 1n75A1 ARG 358 HG3 0.05 0.06 -0.11 -0.04 1.67 1.64 1n75A1 ARG 358 HD2 0.05 -0.06 -0.15 -0.04 3.22 3.01 1n75A1 ARG 358 HD3 0.09 0.03 -0.07 -0.04 3.22 3.23 1n75A1 PHE 359 H -0.35 0.37 -0.08 -0.55 8.34 7.73 1n75A1 PHE 359 HA -0.03 0.12 0.89 -0.75 4.62 4.86 1n75A1 PHE 359 HB2 -0.04 -0.11 -0.01 -0.04 3.15 2.94 1n75A1 PHE 359 HB3 0.02 0.08 -0.29 -0.04 3.06 2.83 1n75A1 PHE 359 HD2 -0.00 0.04 -0.36 -0.04 7.28 6.92 1n75A1 PHE 359 HE2 -0.08 -0.04 -0.28 -0.04 7.38 6.94 1n75A1 PHE 359 HZ -0.27 -0.03 -0.10 -0.04 7.32 6.88 1n75A1 ASP 360 H 0.05 0.07 0.14 -0.55 8.40 8.11 1n75A1 ASP 360 HA -0.13 0.24 0.90 -0.75 4.63 4.88 1n75A1 ASP 360 HB2 -0.03 -0.06 0.05 -0.04 2.71 2.63 1n75A1 ASP 360 HB3 -0.06 0.09 0.11 -0.04 2.70 2.79 1n75A1 THR 361 H 0.01 0.06 0.10 -0.55 8.28 7.91 1n75A1 THR 361 HA -0.28 0.31 0.89 -0.75 4.39 4.55 1n75A1 THR 361 HB -0.54 0.15 0.08 -0.04 4.32 3.96 1n75A1 THR 361 HG23 -0.64 -0.01 -0.20 -0.04 1.22 0.33 1n75A1 LEU 362 H -0.35 0.64 0.32 -0.55 8.37 8.43 1n75A1 LEU 362 HA -0.31 0.08 0.37 -0.75 4.35 3.74 1n75A1 LEU 362 HB2 -1.14 -0.05 0.12 -0.04 1.64 0.53 1n75A1 LEU 362 HB3 -0.67 0.04 0.01 -0.04 1.64 0.98 1n75A1 LEU 362 HG -0.17 0.13 0.08 -0.04 1.64 1.64 1n75A1 LEU 362 HD13 0.06 0.03 -0.08 -0.04 0.93 0.90 1n75A1 LEU 362 HD23 -0.07 -0.01 -0.10 -0.04 0.89 0.67 1n75A1 LYS 363 H -0.61 0.19 -0.20 -0.55 8.42 7.25 1n75A1 LYS 363 HA -0.32 0.12 0.42 -0.75 4.32 3.78 1n75A1 LYS 363 HB2 -0.29 0.02 -0.22 -0.04 1.87 1.34 1n75A1 LYS 363 HB3 -0.24 0.03 -0.03 -0.04 1.79 1.51 1n75A1 LYS 363 HG2 -0.05 -0.04 -0.02 -0.04 1.46 1.30 1n75A1 LYS 363 HG3 0.11 0.03 0.05 -0.04 1.46 1.61 1n75A1 LYS 363 HD2 -0.06 0.18 0.07 -0.04 1.69 1.84 1n75A1 LYS 363 HD3 -0.11 -0.06 -0.01 -0.04 1.68 1.45 1n75A1 LYS 363 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.89 1n75A1 LYS 363 HE3 0.01 0.04 -0.00 -0.04 2.99 2.99 1n75A1 GLU 364 H -0.22 0.21 -0.38 -0.55 8.60 7.66 1n75A1 GLU 364 HA -0.09 0.08 0.45 -0.75 4.29 3.98 1n75A1 GLU 364 HB2 0.01 0.09 0.12 -0.04 2.09 2.27 1n75A1 GLU 364 HB3 0.01 0.05 0.07 -0.04 1.99 2.09 1n75A1 GLU 364 HG2 -0.04 0.05 0.02 -0.04 2.34 2.32 1n75A1 GLU 364 HG3 -0.11 -0.03 0.03 -0.04 2.34 2.19 1n75A1 PHE 365 H -0.30 0.29 -0.36 -0.55 8.34 7.42 1n75A1 PHE 365 HA -0.52 0.04 0.29 -0.75 4.62 3.66 1n75A1 PHE 365 HB2 -1.48 -0.02 0.02 -0.04 3.15 1.63 1n75A1 PHE 365 HB3 -0.53 0.20 0.10 -0.04 3.06 2.79 1n75A1 PHE 365 HD2 -0.44 0.03 -0.13 -0.04 7.28 6.70 1n75A1 PHE 365 HE2 -0.13 0.05 -0.21 -0.04 7.38 7.05 1n75A1 PHE 365 HZ 0.21 -0.05 -0.23 -0.04 7.32 7.22 1n75A1 PRO 366 HA -0.36 0.05 0.29 -0.51 4.44 3.91 1n75A1 PRO 366 HB2 -0.05 0.07 -0.05 -0.04 2.28 2.21 1n75A1 PRO 366 HB3 -0.08 0.04 -0.02 -0.04 2.02 1.92 1n75A1 PRO 366 HG2 0.09 0.03 -0.26 -0.04 2.03 1.84 1n75A1 PRO 366 HG3 0.04 -0.02 -0.13 -0.04 2.03 1.88 1n75A1 PRO 366 HD2 -0.10 0.26 -0.10 -0.04 3.68 3.69 1n75A1 PRO 366 HD3 0.02 0.18 0.11 -0.04 3.65 3.91 1n75A1 GLU 367 H -0.12 0.25 -0.44 -0.55 8.60 7.74 1n75A1 GLU 367 HA -0.04 0.06 0.42 -0.75 4.29 3.98 1n75A1 GLU 367 HB2 -0.06 0.05 0.15 -0.04 2.09 2.19 1n75A1 GLU 367 HB3 -0.02 -0.06 0.01 -0.04 1.99 1.88 1n75A1 GLU 367 HG2 -0.01 -0.03 0.02 -0.04 2.34 2.27 1n75A1 GLU 367 HG3 -0.04 0.11 0.06 -0.04 2.34 2.43 1n75A1 LYS 368 H -0.13 0.64 -0.04 -0.55 8.42 8.33 1n75A1 LYS 368 HA 0.01 0.09 0.71 -0.75 4.32 4.37 1n75A1 LYS 368 HB2 -0.04 0.08 0.07 -0.04 1.87 1.93 1n75A1 LYS 368 HB3 0.03 -0.03 0.08 -0.04 1.79 1.82 1n75A1 LYS 368 HG2 0.02 -0.05 0.02 -0.04 1.46 1.41 1n75A1 LYS 368 HG3 -0.01 -0.01 0.04 -0.04 1.46 1.44 1n75A1 LYS 368 HD2 0.08 -0.04 -0.05 -0.04 1.69 1.65 1n75A1 LYS 368 HD3 0.07 0.04 0.01 -0.04 1.68 1.76 1n75A1 LYS 368 HE2 0.04 -0.04 0.03 -0.04 2.99 2.97 1n75A1 LYS 368 HE3 0.03 -0.08 0.03 -0.04 2.99 2.93 1n75A1 ALA 369 H -0.33 0.45 -0.23 -0.55 8.40 7.73 1n75A1 ALA 369 HA -0.69 0.19 0.92 -0.75 4.34 4.01 1n75A1 ALA 369 HB3 -0.58 -0.00 0.01 -0.04 1.41 0.80 1n75A1 ARG 370 H -0.15 0.28 -0.25 -0.55 8.46 7.79 1n75A1 ARG 370 HA 0.03 0.03 0.38 -0.75 4.34 4.03 1n75A1 ARG 370 HB2 0.01 0.22 0.19 -0.04 1.90 2.27 1n75A1 ARG 370 HB3 0.10 -0.03 0.09 -0.04 1.80 1.91 1n75A1 ARG 370 HG2 0.14 -0.06 -0.19 -0.04 1.67 1.51 1n75A1 ARG 370 HG3 0.07 -0.01 0.02 -0.04 1.67 1.71 1n75A1 ARG 370 HD2 0.06 -0.02 0.05 -0.04 3.22 3.27 1n75A1 ARG 370 HD3 0.13 -0.06 0.09 -0.04 3.22 3.34 1n75A1 TYR 371 H -0.15 0.16 -0.24 -0.55 8.29 7.51 1n75A1 TYR 371 HA -0.14 0.17 0.32 -0.75 4.56 4.16 1n75A1 TYR 371 HB2 -0.81 0.08 0.16 -0.04 3.06 2.45 1n75A1 TYR 371 HB3 -0.80 0.10 0.10 -0.04 2.98 2.34 1n75A1 TYR 371 HD2 -0.18 0.03 -0.12 -0.04 7.15 6.83 1n75A1 TYR 371 HE2 -0.10 0.06 0.01 -0.04 6.85 6.78 1n75A1 LEU 372 H -0.60 0.51 -0.60 -0.55 8.37 7.13 1n75A1 LEU 372 HA -0.19 0.11 0.67 -0.75 4.35 4.19 1n75A1 LEU 372 HB2 -0.87 0.24 0.09 -0.04 1.64 1.06 1n75A1 LEU 372 HB3 -0.72 -0.12 0.06 -0.04 1.64 0.83 1n75A1 LEU 372 HG -0.83 -0.00 -0.04 -0.04 1.64 0.72 1n75A1 LEU 372 HD13 -0.31 -0.03 0.01 -0.04 0.93 0.56 1n75A1 LEU 372 HD23 -0.07 -0.01 -0.02 -0.04 0.89 0.76 1n75A1 PHE 373 H -0.02 0.57 -0.01 -0.55 8.34 8.33 1n75A1 PHE 373 HA 0.13 0.11 0.99 -0.75 4.62 5.10 1n75A1 PHE 373 HB2 0.04 0.08 0.06 -0.04 3.15 3.29 1n75A1 PHE 373 HB3 0.13 0.06 0.19 -0.04 3.06 3.40 1n75A1 PHE 373 HD2 0.09 0.09 0.01 -0.04 7.28 7.43 1n75A1 PHE 373 HE2 -0.14 -0.07 -0.13 -0.04 7.38 7.01 1n75A1 PHE 373 HZ 0.26 -0.06 -0.11 -0.04 7.32 7.37 1n75A1 THR 374 H 0.12 0.37 0.02 -0.55 8.28 8.25 1n75A1 THR 374 HA 0.11 0.07 0.53 -0.75 4.39 4.35 1n75A1 THR 374 HB 0.13 0.13 -0.12 -0.04 4.32 4.41 1n75A1 THR 374 HG23 0.17 0.06 -0.29 -0.04 1.22 1.11 1n75A1 GLU 375 H 0.10 0.10 0.14 -0.55 8.60 8.40 1n75A1 GLU 375 HA 0.35 0.25 0.70 -0.75 4.29 4.84 1n75A1 GLU 375 HB2 0.04 -0.04 0.06 -0.04 2.09 2.11 1n75A1 GLU 375 HB3 0.05 0.04 0.10 -0.04 1.99 2.14 1n75A1 GLU 375 HG2 0.07 -0.06 -0.02 -0.04 2.34 2.30 1n75A1 GLU 375 HG3 0.05 -0.02 0.00 -0.04 2.34 2.33 1n75A1 ASP 376 H 0.09 -0.01 -0.10 -0.55 8.40 7.83 1n75A1 ASP 376 HA -0.09 0.16 0.60 -0.75 4.63 4.55 1n75A1 ASP 376 HB2 0.01 -0.07 0.08 -0.04 2.71 2.69 1n75A1 ASP 376 HB3 0.04 0.04 0.18 -0.04 2.70 2.91 1n75A1 TYR 377 H -0.44 0.48 -0.18 -0.55 8.29 7.60 1n75A1 TYR 377 HA 0.05 0.17 0.80 -0.75 4.56 4.83 1n75A1 TYR 377 HB2 0.12 0.07 -0.02 -0.04 3.06 3.19 1n75A1 TYR 377 HB3 0.11 -0.05 -0.30 -0.04 2.98 2.70 1n75A1 TYR 377 HD2 0.06 0.10 -0.31 -0.04 7.15 6.96 1n75A1 TYR 377 HE2 0.02 -0.08 -0.16 -0.04 6.85 6.59 1n75A1 PRO 378 HA 0.01 0.05 0.55 -0.51 4.44 4.54 1n75A1 PRO 378 HB2 0.05 -0.04 -0.05 -0.04 2.28 2.20 1n75A1 PRO 378 HB3 0.04 0.01 0.06 -0.04 2.02 2.09 1n75A1 PRO 378 HG2 0.12 0.03 0.09 -0.04 2.03 2.23 1n75A1 PRO 378 HG3 0.07 0.03 0.08 -0.04 2.03 2.17 1n75A1 PRO 378 HD2 0.20 0.09 0.21 -0.04 3.68 4.15 1n75A1 PRO 378 HD3 0.10 0.16 0.15 -0.04 3.65 4.02 1n75A1 VAL 379 H 0.01 0.14 0.16 -0.55 8.24 8.00 1n75A1 VAL 379 HA 0.08 0.35 1.07 -0.75 4.13 4.88 1n75A1 VAL 379 HB -0.00 -0.07 0.18 -0.04 2.12 2.19 1n75A1 VAL 379 HG13 0.02 0.02 -0.07 -0.04 0.97 0.89 1n75A1 VAL 379 HG23 0.00 0.04 -0.06 -0.04 0.95 0.89 1n75A1 SER 380 H 0.03 0.57 0.26 -0.55 8.46 8.78 1n75A1 SER 380 HA 0.02 0.09 0.43 -0.75 4.49 4.28 1n75A1 SER 380 HB2 0.01 -0.11 0.20 -0.04 3.95 4.01 1n75A1 SER 380 HB3 0.02 0.19 0.20 -0.04 3.93 4.30 1n75A1 GLU 381 H 0.01 0.17 0.23 -0.55 8.60 8.47 1n75A1 GLU 381 HA 0.01 0.18 0.50 -0.75 4.29 4.22 1n75A1 GLU 381 HB2 0.01 -0.00 0.04 -0.04 2.09 2.09 1n75A1 GLU 381 HB3 0.01 0.06 0.12 -0.04 1.99 2.14 1n75A1 GLU 381 HG2 0.01 0.05 0.08 -0.04 2.34 2.44 1n75A1 GLU 381 HG3 0.01 0.09 0.12 -0.04 2.34 2.52 1n75A1 LYS 382 H 0.01 0.07 -0.05 -0.55 8.42 7.89 1n75A1 LYS 382 HA 0.00 0.13 0.47 -0.75 4.32 4.17 1n75A1 LYS 382 HB2 0.01 0.03 0.09 -0.04 1.87 1.95 1n75A1 LYS 382 HB3 0.00 -0.03 0.05 -0.04 1.79 1.78 1n75A1 LYS 382 HG2 -0.00 0.02 -0.18 -0.04 1.46 1.25 1n75A1 LYS 382 HG3 0.00 0.02 0.03 -0.04 1.46 1.47 1n75A1 LYS 382 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.60 1n75A1 LYS 382 HD3 0.00 0.03 -0.04 -0.04 1.68 1.64 1n75A1 LYS 382 HE2 0.01 0.03 -0.01 -0.04 2.99 2.98 1n75A1 LYS 382 HE3 0.01 0.02 -0.00 -0.04 2.99 2.97 1n75A1 ALA 383 H 0.00 0.04 -0.35 -0.55 8.40 7.55 1n75A1 ALA 383 HA -0.01 0.07 0.34 -0.75 4.34 3.99 1n75A1 ALA 383 HB3 -0.01 0.03 -0.15 -0.04 1.41 1.24 1n75A1 GLN 384 H 0.00 0.45 -0.30 -0.55 8.47 8.08 1n75A1 GLN 384 HA 0.00 0.10 0.38 -0.75 4.36 4.09 1n75A1 GLN 384 HB2 0.00 0.13 0.06 -0.04 2.15 2.30 1n75A1 GLN 384 HB3 0.00 0.03 0.14 -0.04 2.02 2.15 1n75A1 GLN 384 HG2 -0.00 0.00 -0.01 -0.04 2.40 2.35 1n75A1 GLN 384 HG3 -0.00 -0.04 -0.19 -0.04 2.39 2.11 1n75A1 GLN 384 HE21 -0.00 0.09 0.00 -0.04 6.97 7.02 1n75A1 GLN 384 HE22 -0.00 -0.08 -0.01 -0.04 7.69 7.55 1n75A1 ARG 385 H 0.00 0.43 -0.16 -0.55 8.46 8.18 1n75A1 ARG 385 HA 0.00 0.05 0.41 -0.75 4.34 4.04 1n75A1 ARG 385 HB2 0.00 0.07 0.14 -0.04 1.90 2.07 1n75A1 ARG 385 HB3 0.00 -0.03 0.01 -0.04 1.80 1.74 1n75A1 ARG 385 HG2 0.00 -0.02 0.05 -0.04 1.67 1.66 1n75A1 ARG 385 HG3 0.00 0.15 0.11 -0.04 1.67 1.90 1n75A1 ARG 385 HD2 0.00 -0.02 0.01 -0.04 3.22 3.18 1n75A1 ARG 385 HD3 0.00 -0.02 0.01 -0.04 3.22 3.17 1n75A1 LYS 386 H -0.00 0.36 -0.36 -0.55 8.42 7.86 1n75A1 LYS 386 HA 0.00 0.02 0.44 -0.75 4.32 4.02 1n75A1 LYS 386 HB2 -0.00 0.05 0.08 -0.04 1.87 1.95 1n75A1 LYS 386 HB3 -0.01 0.12 0.04 -0.04 1.79 1.90 1n75A1 LYS 386 HG2 -0.01 -0.03 -0.12 -0.04 1.46 1.26 1n75A1 LYS 386 HG3 -0.01 -0.01 -0.26 -0.04 1.46 1.14 1n75A1 LYS 386 HD2 0.00 -0.01 0.06 -0.04 1.69 1.70 1n75A1 LYS 386 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.63 1n75A1 LYS 386 HE2 0.00 0.01 -0.04 -0.04 2.99 2.93 1n75A1 LYS 386 HE3 0.00 -0.01 -0.02 -0.04 2.99 2.93 1n75A1 LEU 387 H -0.00 0.52 -0.21 -0.55 8.37 8.13 1n75A1 LEU 387 HA -0.00 -0.01 0.44 -0.75 4.35 4.02 1n75A1 LEU 387 HB2 -0.00 -0.01 0.06 -0.04 1.64 1.65 1n75A1 LEU 387 HB3 -0.00 0.14 0.18 -0.04 1.64 1.92 1n75A1 LEU 387 HG -0.00 -0.01 -0.23 -0.04 1.64 1.36 1n75A1 LEU 387 HD13 0.00 -0.03 -0.02 -0.04 0.93 0.84 1n75A1 LEU 387 HD23 0.00 0.03 -0.05 -0.04 0.89 0.83 1n75A1 GLU 388 H 0.00 0.51 -0.16 -0.55 8.60 8.40 1n75A1 GLU 388 HA 0.00 0.05 0.41 -0.75 4.29 4.00 1n75A1 GLU 388 HB2 0.00 0.10 0.14 -0.04 2.09 2.28 1n75A1 GLU 388 HB3 0.00 0.06 0.11 -0.04 1.99 2.12 1n75A1 GLU 388 HG2 0.00 -0.05 0.01 -0.04 2.34 2.26 1n75A1 GLU 388 HG3 0.00 -0.02 -0.03 -0.04 2.34 2.25 1n75A1 GLU 389 H 0.01 0.45 -0.17 -0.55 8.60 8.34 1n75A1 GLU 389 HA 0.01 0.00 0.45 -0.75 4.29 4.00 1n75A1 GLU 389 HB2 0.01 0.00 0.15 -0.04 2.09 2.21 1n75A1 GLU 389 HB3 0.01 0.11 0.17 -0.04 1.99 2.24 1n75A1 GLU 389 HG2 0.01 0.01 -0.17 -0.04 2.34 2.16 1n75A1 GLU 389 HG3 0.01 -0.04 0.07 -0.04 2.34 2.34 1n75A1 GLY 390 H 0.01 0.45 -0.24 -0.55 8.43 8.10 1n75A1 GLY 390 HA2 0.03 0.09 0.78 -0.51 4.01 4.40 1n75A1 GLY 390 HA3 0.02 0.02 0.38 -0.51 4.01 3.92 1n75A1 LEU 391 H 0.01 0.38 -0.36 -0.55 8.37 7.86 1n75A1 LEU 391 HA 0.01 -0.01 0.37 -0.75 4.35 3.98 1n75A1 LEU 391 HB2 0.01 0.23 0.25 -0.04 1.64 2.09 1n75A1 LEU 391 HB3 0.01 -0.05 0.03 -0.04 1.64 1.58 1n75A1 LEU 391 HG 0.00 0.06 -0.01 -0.04 1.64 1.65 1n75A1 LEU 391 HD13 -0.00 0.00 0.02 -0.04 0.93 0.91 1n75A1 LEU 391 HD23 -0.00 -0.03 0.05 -0.04 0.89 0.87 1n75A1 PRO 392 HA 0.04 0.05 0.46 -0.51 4.44 4.48 1n75A1 PRO 392 HB2 0.04 0.02 -0.01 -0.04 2.28 2.29 1n75A1 PRO 392 HB3 0.03 0.02 0.10 -0.04 2.02 2.13 1n75A1 PRO 392 HG2 0.04 -0.02 0.01 -0.04 2.03 2.02 1n75A1 PRO 392 HG3 0.02 0.06 0.06 -0.04 2.03 2.13 1n75A1 PRO 392 HD2 0.02 0.12 -0.28 -0.04 3.68 3.50 1n75A1 PRO 392 HD3 0.02 0.14 0.09 -0.04 3.65 3.86 1n75A1 LEU 393 H 0.06 0.28 -0.33 -0.55 8.37 7.84 1n75A1 LEU 393 HA 0.19 0.04 0.48 -0.75 4.35 4.30 1n75A1 LEU 393 HB2 0.08 0.21 0.19 -0.04 1.64 2.08 1n75A1 LEU 393 HB3 0.18 -0.06 -0.03 -0.04 1.64 1.68 1n75A1 LEU 393 HG 0.08 -0.01 0.00 -0.04 1.64 1.67 1n75A1 LEU 393 HD13 0.08 -0.01 -0.05 -0.04 0.93 0.91 1n75A1 LEU 393 HD23 0.18 -0.01 -0.02 -0.04 0.89 1.00 1n75A1 LEU 394 H 0.05 0.59 -0.00 -0.55 8.37 8.46 1n75A1 LEU 394 HA -0.02 -0.03 0.42 -0.75 4.35 3.96 1n75A1 LEU 394 HB2 0.02 0.15 0.11 -0.04 1.64 1.88 1n75A1 LEU 394 HB3 0.02 -0.04 -0.03 -0.04 1.64 1.54 1n75A1 LEU 394 HG 0.02 0.16 -0.07 -0.04 1.64 1.71 1n75A1 LEU 394 HD13 0.00 0.00 -0.22 -0.04 0.93 0.68 1n75A1 LEU 394 HD23 -0.01 -0.04 -0.09 -0.04 0.89 0.71 1n75A1 LYS 395 H 0.04 0.71 -0.10 -0.55 8.42 8.51 1n75A1 LYS 395 HA 0.04 0.01 0.37 -0.75 4.32 3.99 1n75A1 LYS 395 HB2 0.03 0.17 0.14 -0.04 1.87 2.17 1n75A1 LYS 395 HB3 0.06 0.04 0.07 -0.04 1.79 1.91 1n75A1 LYS 395 HG2 -0.01 0.02 0.05 -0.04 1.46 1.48 1n75A1 LYS 395 HG3 0.01 -0.02 0.01 -0.04 1.46 1.42 1n75A1 LYS 395 HD2 0.05 -0.02 -0.11 -0.04 1.69 1.57 1n75A1 LYS 395 HD3 0.06 -0.02 0.01 -0.04 1.68 1.69 1n75A1 LYS 395 HE2 0.03 -0.05 -0.02 -0.04 2.99 2.92 1n75A1 LYS 395 HE3 -0.02 0.02 -0.00 -0.04 2.99 2.94 1n75A1 GLU 396 H 0.12 0.41 -0.26 -0.55 8.60 8.32 1n75A1 GLU 396 HA 0.13 0.02 0.44 -0.75 4.29 4.13 1n75A1 GLU 396 HB2 0.17 0.09 0.15 -0.04 2.09 2.46 1n75A1 GLU 396 HB3 0.43 0.07 0.06 -0.04 1.99 2.51 1n75A1 GLU 396 HG2 0.27 -0.04 0.01 -0.04 2.34 2.54 1n75A1 GLU 396 HG3 0.13 -0.04 0.06 -0.04 2.34 2.45 1n75A1 LEU 397 H -0.02 0.38 -0.28 -0.55 8.37 7.90 1n75A1 LEU 397 HA -0.47 -0.01 0.50 -0.75 4.35 3.62 1n75A1 LEU 397 HB2 -0.98 0.01 0.06 -0.04 1.64 0.70 1n75A1 LEU 397 HB3 -0.22 0.12 0.17 -0.04 1.64 1.67 1n75A1 LEU 397 HG -0.19 -0.04 -0.28 -0.04 1.64 1.08 1n75A1 LEU 397 HD13 -0.60 -0.03 -0.03 -0.04 0.93 0.23 1n75A1 LEU 397 HD23 -0.18 -0.01 -0.08 -0.04 0.89 0.58 1n75A1 TYR 398 H 0.11 0.66 -0.11 -0.55 8.29 8.41 1n75A1 TYR 398 HA -0.00 -0.07 0.31 -0.75 4.56 4.04 1n75A1 TYR 398 HB2 -0.00 0.04 0.08 -0.04 3.06 3.14 1n75A1 TYR 398 HB3 0.01 0.23 0.11 -0.04 2.98 3.29 1n75A1 TYR 398 HD2 0.02 0.03 -0.08 -0.04 7.15 7.08 1n75A1 TYR 398 HE2 0.01 -0.01 -0.05 -0.04 6.85 6.76 1n75A1 PRO 399 HA -0.19 0.01 0.41 -0.51 4.44 4.15 1n75A1 PRO 399 HB2 0.04 0.06 0.00 -0.04 2.28 2.33 1n75A1 PRO 399 HB3 0.02 -0.03 0.05 -0.04 2.02 2.02 1n75A1 PRO 399 HG2 0.10 0.05 0.05 -0.04 2.03 2.19 1n75A1 PRO 399 HG3 0.17 -0.02 0.03 -0.04 2.03 2.16 1n75A1 PRO 399 HD2 0.08 0.42 -0.46 -0.04 3.68 3.68 1n75A1 PRO 399 HD3 0.24 0.31 0.03 -0.04 3.65 4.19 1n75A1 ARG 400 H -0.03 0.41 -0.23 -0.55 8.46 8.05 1n75A1 ARG 400 HA 0.00 0.01 0.38 -0.75 4.34 3.97 1n75A1 ARG 400 HB2 -0.08 0.09 0.10 -0.04 1.90 1.96 1n75A1 ARG 400 HB3 0.01 -0.09 0.01 -0.04 1.80 1.69 1n75A1 ARG 400 HG2 0.04 0.20 0.15 -0.04 1.67 2.01 1n75A1 ARG 400 HG3 0.16 -0.05 0.03 -0.04 1.67 1.77 1n75A1 ARG 400 HD2 0.09 -0.05 -0.01 -0.04 3.22 3.21 1n75A1 ARG 400 HD3 0.06 -0.06 -0.08 -0.04 3.22 3.10 1n75A1 LEU 401 H -0.07 0.49 -0.11 -0.55 8.37 8.12 1n75A1 LEU 401 HA 0.11 -0.02 0.38 -0.75 4.35 4.07 1n75A1 LEU 401 HB2 -0.01 0.16 0.08 -0.04 1.64 1.83 1n75A1 LEU 401 HB3 0.29 -0.04 -0.05 -0.04 1.64 1.81 1n75A1 LEU 401 HG -0.05 0.04 -0.07 -0.04 1.64 1.52 1n75A1 LEU 401 HD13 0.09 -0.00 -0.10 -0.04 0.93 0.88 1n75A1 LEU 401 HD23 -0.06 -0.02 -0.05 -0.04 0.89 0.72 1n75A1 ARG 402 H -0.24 0.53 -0.18 -0.55 8.46 8.02 1n75A1 ARG 402 HA -0.13 0.00 0.42 -0.75 4.34 3.88 1n75A1 ARG 402 HB2 -0.66 0.04 0.06 -0.04 1.90 1.30 1n75A1 ARG 402 HB3 -0.25 0.10 0.09 -0.04 1.80 1.69 1n75A1 ARG 402 HG2 -0.09 -0.01 -0.11 -0.04 1.67 1.42 1n75A1 ARG 402 HG3 -0.13 -0.05 0.04 -0.04 1.67 1.49 1n75A1 ARG 402 HD2 -0.16 0.01 -0.04 -0.04 3.22 2.98 1n75A1 ARG 402 HD3 -0.08 0.00 -0.04 -0.04 3.22 3.06 1n75A1 ALA 403 H -0.05 0.44 -0.32 -0.55 8.40 7.93 1n75A1 ALA 403 HA -0.01 0.07 0.58 -0.75 4.34 4.22 1n75A1 ALA 403 HB3 -0.00 -0.02 0.10 -0.04 1.41 1.45 1n75A1 GLN 404 H 0.09 0.32 -0.75 -0.55 8.47 7.58 1n75A1 GLN 404 HA 0.07 -0.06 0.58 -0.75 4.36 4.20 1n75A1 GLN 404 HB2 0.10 0.07 0.07 -0.04 2.15 2.35 1n75A1 GLN 404 HB3 0.37 0.24 0.16 -0.04 2.02 2.75 1n75A1 GLN 404 HG2 -0.03 -0.07 -0.11 -0.04 2.40 2.15 1n75A1 GLN 404 HG3 0.23 -0.05 -0.56 -0.04 2.39 1.97 1n75A1 GLN 404 HE21 0.01 -0.06 0.06 -0.04 6.97 6.93 1n75A1 GLN 404 HE22 0.06 -0.01 -0.01 -0.04 7.69 7.69 1n75A1 GLU 405 H 0.07 0.11 0.18 -0.55 8.60 8.41 1n75A1 GLU 405 HA 0.08 0.16 0.55 -0.75 4.29 4.33 1n75A1 GLU 405 HB2 0.04 0.09 0.08 -0.04 2.09 2.26 1n75A1 GLU 405 HB3 0.04 -0.09 0.15 -0.04 1.99 2.05 1n75A1 GLU 405 HG2 0.04 0.02 0.04 -0.04 2.34 2.39 1n75A1 GLU 405 HG3 0.03 0.00 0.00 -0.04 2.34 2.33 1n75A1 GLU 406 H 0.07 0.07 0.03 -0.55 8.60 8.23 1n75A1 GLU 406 HA 0.09 0.09 0.52 -0.75 4.29 4.24 1n75A1 GLU 406 HB2 0.03 0.03 0.11 -0.04 2.09 2.22 1n75A1 GLU 406 HB3 0.01 -0.01 0.18 -0.04 1.99 2.12 1n75A1 GLU 406 HG2 0.01 -0.11 -0.14 -0.04 2.34 2.06 1n75A1 GLU 406 HG3 0.03 0.06 -0.01 -0.04 2.34 2.38 1n75A1 TRP 407 H 0.25 0.27 0.14 -0.55 7.97 8.09 1n75A1 TRP 407 HA 0.01 0.17 0.81 -0.75 4.62 4.86 1n75A1 TRP 407 HB2 0.00 0.16 0.01 -0.04 3.23 3.36 1n75A1 TRP 407 HB3 0.01 -0.03 0.27 -0.04 3.23 3.43 1n75A1 TRP 407 HD1 0.02 0.04 0.03 -0.04 7.22 7.27 1n75A1 TRP 407 HE1 0.03 0.31 0.05 -0.04 10.20 10.55 1n75A1 TRP 407 HE3 -0.01 0.12 -0.13 -0.04 7.59 7.54 1n75A1 TRP 407 HZ2 0.02 0.10 -0.05 -0.04 7.44 7.47 1n75A1 TRP 407 HZ3 -0.03 0.23 0.04 -0.04 7.13 7.33 1n75A1 TRP 407 HH2 -0.01 -0.01 -0.06 -0.04 7.19 7.07 1n75A1 THR 408 H -0.15 0.26 -0.00 -0.55 8.28 7.84 1n75A1 THR 408 HA -0.00 0.30 0.77 -0.75 4.39 4.71 1n75A1 THR 408 HB -0.01 -0.03 0.10 -0.04 4.32 4.33 1n75A1 THR 408 HG23 0.04 0.04 -0.22 -0.04 1.22 1.04 1n75A1 GLU 409 H -0.03 0.24 0.11 -0.55 8.60 8.37 1n75A1 GLU 409 HA -0.03 0.20 0.31 -0.75 4.29 4.01 1n75A1 GLU 409 HB2 -0.02 -0.05 0.09 -0.04 2.09 2.08 1n75A1 GLU 409 HB3 0.01 -0.01 -0.10 -0.04 1.99 1.84 1n75A1 GLU 409 HG2 0.05 0.12 -0.33 -0.04 2.34 2.14 1n75A1 GLU 409 HG3 0.02 0.02 0.06 -0.04 2.34 2.39 1n75A1 ALA 410 H -0.08 0.11 -0.14 -0.55 8.40 7.75 1n75A1 ALA 410 HA -0.17 0.10 0.41 -0.75 4.34 3.92 1n75A1 ALA 410 HB3 -0.07 0.03 0.03 -0.04 1.41 1.35 1n75A1 ALA 411 H -0.11 0.04 -0.25 -0.55 8.40 7.53 1n75A1 ALA 411 HA -0.10 0.07 0.44 -0.75 4.34 4.00 1n75A1 ALA 411 HB3 -0.08 -0.01 0.06 -0.04 1.41 1.34 1n75A1 LEU 412 H -0.24 0.67 -0.05 -0.55 8.37 8.20 1n75A1 LEU 412 HA -0.25 0.08 0.40 -0.75 4.35 3.82 1n75A1 LEU 412 HB2 -0.17 0.05 0.07 -0.04 1.64 1.55 1n75A1 LEU 412 HB3 -0.15 -0.02 -0.05 -0.04 1.64 1.39 1n75A1 LEU 412 HG -0.60 -0.03 0.04 -0.04 1.64 1.02 1n75A1 LEU 412 HD13 -0.79 0.00 -0.30 -0.04 0.93 -0.20 1n75A1 LEU 412 HD23 -1.26 0.01 -0.05 -0.04 0.89 -0.45 1n75A1 GLU 413 H -0.43 0.49 -0.23 -0.55 8.60 7.89 1n75A1 GLU 413 HA -1.37 -0.01 0.40 -0.75 4.29 2.55 1n75A1 GLU 413 HB2 -1.04 0.06 0.13 -0.04 2.09 1.20 1n75A1 GLU 413 HB3 -0.44 0.11 0.19 -0.04 1.99 1.81 1n75A1 GLU 413 HG2 -0.36 0.00 -0.16 -0.04 2.34 1.77 1n75A1 GLU 413 HG3 -0.84 -0.06 0.02 -0.04 2.34 1.43 1n75A1 ALA 414 H -0.23 0.57 -0.13 -0.55 8.40 8.07 1n75A1 ALA 414 HA -0.11 -0.02 0.41 -0.75 4.34 3.87 1n75A1 ALA 414 HB3 -0.09 0.03 0.13 -0.04 1.41 1.44 1n75A1 LEU 415 H -0.12 0.51 -0.25 -0.55 8.37 7.96 1n75A1 LEU 415 HA -0.01 0.01 0.40 -0.75 4.35 4.00 1n75A1 LEU 415 HB2 -0.09 0.12 0.14 -0.04 1.64 1.77 1n75A1 LEU 415 HB3 -0.07 0.08 0.13 -0.04 1.64 1.73 1n75A1 LEU 415 HG -0.01 -0.02 -0.02 -0.04 1.64 1.55 1n75A1 LEU 415 HD13 -0.06 0.02 -0.15 -0.04 0.93 0.69 1n75A1 LEU 415 HD23 -0.00 -0.02 -0.15 -0.04 0.89 0.68 1n75A1 LEU 416 H -0.03 0.60 -0.02 -0.55 8.37 8.37 1n75A1 LEU 416 HA 0.10 0.04 0.43 -0.75 4.35 4.16 1n75A1 LEU 416 HB2 0.16 0.12 0.14 -0.04 1.64 2.01 1n75A1 LEU 416 HB3 0.16 -0.08 -0.02 -0.04 1.64 1.66 1n75A1 LEU 416 HG 0.00 -0.00 -0.01 -0.04 1.64 1.59 1n75A1 LEU 416 HD13 0.03 0.01 -0.04 -0.04 0.93 0.88 1n75A1 LEU 416 HD23 0.13 -0.02 -0.10 -0.04 0.89 0.86 1n75A1 ARG 417 H -0.02 0.51 -0.30 -0.55 8.46 8.10 1n75A1 ARG 417 HA 0.03 -0.05 0.46 -0.75 4.34 4.03 1n75A1 ARG 417 HB2 -0.05 0.01 0.10 -0.04 1.90 1.92 1n75A1 ARG 417 HB3 -0.04 0.16 0.22 -0.04 1.80 2.10 1n75A1 ARG 417 HG2 -0.01 0.02 -0.19 -0.04 1.67 1.45 1n75A1 ARG 417 HG3 -0.01 -0.07 0.03 -0.04 1.67 1.58 1n75A1 ARG 417 HD2 -0.04 0.01 0.00 -0.04 3.22 3.15 1n75A1 ARG 417 HD3 -0.02 -0.01 -0.01 -0.04 3.22 3.13 1n75A1 GLY 418 H 0.02 0.65 -0.02 -0.55 8.43 8.53 1n75A1 GLY 418 HA2 0.01 -0.02 0.41 -0.51 4.01 3.90 1n75A1 GLY 418 HA3 0.03 0.08 0.34 -0.51 4.01 3.94 1n75A1 PHE 419 H 0.19 0.57 -0.16 -0.55 8.34 8.38 1n75A1 PHE 419 HA 0.01 0.03 0.40 -0.75 4.62 4.30 1n75A1 PHE 419 HB2 0.01 0.06 0.08 -0.04 3.15 3.26 1n75A1 PHE 419 HB3 0.02 0.02 0.14 -0.04 3.06 3.19 1n75A1 PHE 419 HD2 0.02 -0.01 -0.12 -0.04 7.28 7.13 1n75A1 PHE 419 HE2 0.02 0.03 -0.14 -0.04 7.38 7.26 1n75A1 PHE 419 HZ 0.03 0.04 -0.07 -0.04 7.32 7.28 1n75A1 ALA 420 H 0.17 0.64 -0.13 -0.55 8.40 8.53 1n75A1 ALA 420 HA 0.03 -0.02 0.32 -0.75 4.34 3.91 1n75A1 ALA 420 HB3 0.08 0.06 -0.03 -0.04 1.41 1.48 1n75A1 ALA 421 H 0.00 0.48 -0.14 -0.55 8.40 8.20 1n75A1 ALA 421 HA -0.02 0.01 0.44 -0.75 4.34 4.01 1n75A1 ALA 421 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 1n75A1 GLU 422 H -0.08 0.55 -0.17 -0.55 8.60 8.36 1n75A1 GLU 422 HA -0.08 -0.03 0.41 -0.75 4.29 3.84 1n75A1 GLU 422 HB2 -0.08 0.00 0.13 -0.04 2.09 2.10 1n75A1 GLU 422 HB3 -0.27 0.16 0.20 -0.04 1.99 2.04 1n75A1 GLU 422 HG2 -0.17 0.02 -0.15 -0.04 2.34 2.00 1n75A1 GLU 422 HG3 -0.08 -0.06 0.06 -0.04 2.34 2.22 1n75A1 LYS 423 H -0.24 0.43 -0.24 -0.55 8.42 7.81 1n75A1 LYS 423 HA -0.16 0.11 0.69 -0.75 4.32 4.21 1n75A1 LYS 423 HB2 -0.23 -0.01 0.06 -0.04 1.87 1.65 1n75A1 LYS 423 HB3 -0.14 -0.06 0.10 -0.04 1.79 1.64 1n75A1 LYS 423 HG2 -0.98 0.11 -0.03 -0.04 1.46 0.52 1n75A1 LYS 423 HG3 -0.70 -0.06 -0.04 -0.04 1.46 0.62 1n75A1 LYS 423 HD2 -0.24 0.06 -0.09 -0.04 1.69 1.39 1n75A1 LYS 423 HD3 -0.32 -0.02 -0.05 -0.04 1.68 1.24 1n75A1 LYS 423 HE2 -0.05 -0.03 -0.01 -0.04 2.99 2.86 1n75A1 LYS 423 HE3 -0.09 0.01 0.05 -0.04 2.99 2.92 1n75A1 GLY 424 H -0.08 0.35 -0.41 -0.55 8.43 7.75 1n75A1 GLY 424 HA2 -0.03 -0.00 0.33 -0.51 4.01 3.79 1n75A1 GLY 424 HA3 -0.04 0.00 0.44 -0.51 4.01 3.90 1n75A1 VAL 425 H -0.03 0.58 -0.03 -0.55 8.24 8.21 1n75A1 VAL 425 HA -0.00 0.17 0.93 -0.75 4.13 4.48 1n75A1 VAL 425 HB 0.02 -0.11 0.06 -0.04 2.12 2.05 1n75A1 VAL 425 HG13 -0.00 0.06 -0.19 -0.04 0.97 0.80 1n75A1 VAL 425 HG23 0.03 -0.00 -0.16 -0.04 0.95 0.77 1n75A1 LYS 426 H 0.02 0.12 0.13 -0.55 8.42 8.13 1n75A1 LYS 426 HA 0.02 0.17 0.57 -0.75 4.32 4.32 1n75A1 LYS 426 HB2 0.02 -0.01 0.13 -0.04 1.87 1.96 1n75A1 LYS 426 HB3 0.02 -0.10 0.09 -0.04 1.79 1.76 1n75A1 LYS 426 HG2 0.01 0.05 0.01 -0.04 1.46 1.50 1n75A1 LYS 426 HG3 0.01 0.06 0.02 -0.04 1.46 1.51 1n75A1 LYS 426 HD2 0.01 0.01 0.03 -0.04 1.69 1.70 1n75A1 LYS 426 HD3 0.01 -0.04 0.03 -0.04 1.68 1.64 1n75A1 LYS 426 HE2 0.01 0.04 0.00 -0.04 2.99 3.00 1n75A1 LYS 426 HE3 0.01 0.01 0.01 -0.04 2.99 2.97 1n75A1 LEU 427 H 0.04 0.20 0.17 -0.55 8.37 8.22 1n75A1 LEU 427 HA 0.08 0.16 0.36 -0.75 4.35 4.20 1n75A1 LEU 427 HB2 0.06 0.09 0.14 -0.04 1.64 1.88 1n75A1 LEU 427 HB3 0.06 -0.04 0.13 -0.04 1.64 1.74 1n75A1 LEU 427 HG 0.12 -0.05 -0.23 -0.04 1.64 1.44 1n75A1 LEU 427 HD13 0.18 0.02 -0.09 -0.04 0.93 1.00 1n75A1 LEU 427 HD23 0.14 0.01 -0.02 -0.04 0.89 0.98 1n75A1 GLY 428 H 0.04 0.09 -0.22 -0.55 8.43 7.80 1n75A1 GLY 428 HA2 0.02 0.03 0.35 -0.51 4.01 3.91 1n75A1 GLY 428 HA3 0.02 0.09 0.25 -0.51 4.01 3.86 1n75A1 GLN 429 H 0.03 0.34 -0.34 -0.55 8.47 7.95 1n75A1 GLN 429 HA 0.02 0.06 0.41 -0.75 4.36 4.10 1n75A1 GLN 429 HB2 0.04 0.15 0.03 -0.04 2.15 2.33 1n75A1 GLN 429 HB3 0.03 0.05 0.04 -0.04 2.02 2.11 1n75A1 GLN 429 HG2 0.02 0.03 0.03 -0.04 2.40 2.44 1n75A1 GLN 429 HG3 0.02 -0.14 0.05 -0.04 2.39 2.28 1n75A1 GLN 429 HE21 0.01 0.07 0.05 -0.04 6.97 7.06 1n75A1 GLN 429 HE22 0.02 0.04 0.03 -0.04 7.69 7.74 1n75A1 VAL 430 H 0.06 0.30 -0.28 -0.55 8.24 7.77 1n75A1 VAL 430 HA 0.07 0.16 0.68 -0.75 4.13 4.28 1n75A1 VAL 430 HB 0.10 0.04 0.12 -0.04 2.12 2.34 1n75A1 VAL 430 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.83 1n75A1 VAL 430 HG23 0.23 0.01 -0.10 -0.04 0.95 1.05 1n75A1 ALA 431 H 0.03 0.57 0.12 -0.55 8.40 8.57 1n75A1 ALA 431 HA -0.07 0.02 0.33 -0.75 4.34 3.85 1n75A1 ALA 431 HB3 -0.05 -0.02 0.03 -0.04 1.41 1.33 1n75A1 GLN 432 H -0.02 0.46 -0.15 -0.55 8.47 8.22 1n75A1 GLN 432 HA -0.05 0.01 0.41 -0.75 4.36 3.98 1n75A1 GLN 432 HB2 -0.01 0.16 0.13 -0.04 2.15 2.39 1n75A1 GLN 432 HB3 -0.01 0.06 -0.05 -0.04 2.02 1.97 1n75A1 GLN 432 HG2 -0.01 -0.01 0.01 -0.04 2.40 2.34 1n75A1 GLN 432 HG3 -0.02 -0.03 -0.00 -0.04 2.39 2.29 1n75A1 GLN 432 HE21 -0.04 -0.01 -0.05 -0.04 6.97 6.82 1n75A1 GLN 432 HE22 -0.03 0.01 -0.00 -0.04 7.69 7.63 1n75A1 PRO 433 HA -0.01 0.03 0.30 -0.51 4.44 4.25 1n75A1 PRO 433 HB2 0.00 0.05 0.03 -0.04 2.28 2.33 1n75A1 PRO 433 HB3 0.01 0.03 0.07 -0.04 2.02 2.08 1n75A1 PRO 433 HG2 0.02 0.17 0.19 -0.04 2.03 2.37 1n75A1 PRO 433 HG3 0.01 0.01 0.07 -0.04 2.03 2.08 1n75A1 PRO 433 HD2 0.00 0.28 -0.51 -0.04 3.68 3.41 1n75A1 PRO 433 HD3 0.00 0.02 -0.09 -0.04 3.65 3.54 1n75A1 LEU 434 H -0.03 0.48 -0.27 -0.55 8.37 8.00 1n75A1 LEU 434 HA -0.02 0.04 0.34 -0.75 4.35 3.95 1n75A1 LEU 434 HB2 -0.04 0.05 0.04 -0.04 1.64 1.65 1n75A1 LEU 434 HB3 -0.08 0.09 0.06 -0.04 1.64 1.67 1n75A1 LEU 434 HG -0.06 -0.01 -0.19 -0.04 1.64 1.33 1n75A1 LEU 434 HD13 0.01 -0.00 -0.01 -0.04 0.93 0.88 1n75A1 LEU 434 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.66 1n75A1 ARG 435 H -0.08 0.44 -0.22 -0.55 8.46 8.04 1n75A1 ARG 435 HA -0.13 -0.01 0.38 -0.75 4.34 3.83 1n75A1 ARG 435 HB2 -0.12 -0.00 0.09 -0.04 1.90 1.83 1n75A1 ARG 435 HB3 -0.09 0.10 0.12 -0.04 1.80 1.90 1n75A1 ARG 435 HG2 -0.16 0.07 -0.14 -0.04 1.67 1.41 1n75A1 ARG 435 HG3 -0.14 -0.07 -0.06 -0.04 1.67 1.36 1n75A1 ARG 435 HD2 -0.08 0.00 -0.09 -0.04 3.22 3.01 1n75A1 ARG 435 HD3 -0.09 -0.12 -0.37 -0.04 3.22 2.60 1n75A1 ALA 436 H -0.06 0.47 -0.18 -0.55 8.40 8.09 1n75A1 ALA 436 HA -0.06 -0.04 0.31 -0.75 4.34 3.79 1n75A1 ALA 436 HB3 -0.02 0.03 0.03 -0.04 1.41 1.40 1n75A1 ALA 437 H -0.02 0.48 -0.20 -0.55 8.40 8.11 1n75A1 ALA 437 HA 0.02 0.04 0.37 -0.75 4.34 4.02 1n75A1 ALA 437 HB3 0.01 0.02 0.06 -0.04 1.41 1.45 1n75A1 LEU 438 H -0.04 0.44 -0.17 -0.55 8.37 8.05 1n75A1 LEU 438 HA 0.02 0.12 0.53 -0.75 4.35 4.27 1n75A1 LEU 438 HB2 -0.08 0.04 0.06 -0.04 1.64 1.62 1n75A1 LEU 438 HB3 -0.03 -0.04 0.00 -0.04 1.64 1.53 1n75A1 LEU 438 HG 0.02 0.03 -0.02 -0.04 1.64 1.63 1n75A1 LEU 438 HD13 0.02 -0.04 -0.08 -0.04 0.93 0.79 1n75A1 LEU 438 HD23 0.09 -0.01 -0.05 -0.04 0.89 0.88 1n75A1 THR 439 H -0.17 0.27 -0.19 -0.55 8.28 7.64 1n75A1 THR 439 HA -0.74 0.27 1.02 -0.75 4.39 4.19 1n75A1 THR 439 HB -1.90 -0.05 0.05 -0.04 4.32 2.38 1n75A1 THR 439 HG23 -0.44 -0.00 -0.24 -0.04 1.22 0.50 1n75A1 GLY 440 H -0.05 0.60 0.15 -0.55 8.43 8.58 1n75A1 GLY 440 HA2 0.08 0.03 0.39 -0.51 4.01 4.00 1n75A1 GLY 440 HA3 0.24 0.20 0.48 -0.51 4.01 4.42 1n75A1 SER 441 H -0.19 0.19 -0.39 -0.55 8.46 7.53 1n75A1 SER 441 HA -0.03 0.01 0.86 -0.75 4.49 4.58 1n75A1 SER 441 HB2 -0.03 0.14 -0.09 -0.04 3.95 3.93 1n75A1 SER 441 HB3 -0.21 0.10 -0.13 -0.04 3.93 3.65 1n75A1 LEU 442 H -0.03 0.11 0.11 -0.55 8.37 8.02 1n75A1 LEU 442 HA -0.05 0.23 0.73 -0.75 4.35 4.50 1n75A1 LEU 442 HB2 -0.01 -0.03 0.02 -0.04 1.64 1.57 1n75A1 LEU 442 HB3 -0.02 0.02 0.09 -0.04 1.64 1.69 1n75A1 LEU 442 HG -0.02 -0.12 -0.20 -0.04 1.64 1.25 1n75A1 LEU 442 HD13 -0.01 0.02 -0.17 -0.04 0.93 0.74 1n75A1 LEU 442 HD23 -0.03 0.04 -0.08 -0.04 0.89 0.78 1n75A1 GLU 443 H -0.03 0.10 -0.17 -0.55 8.60 7.96 1n75A1 GLU 443 HA -0.01 0.16 0.86 -0.75 4.29 4.55 1n75A1 GLU 443 HB2 0.01 -0.00 0.13 -0.04 2.09 2.19 1n75A1 GLU 443 HB3 0.01 0.06 0.02 -0.04 1.99 2.04 1n75A1 GLU 443 HG2 -0.00 0.17 -0.23 -0.04 2.34 2.24 1n75A1 GLU 443 HG3 -0.00 -0.18 -0.28 -0.04 2.34 1.84 1n75A1 THR 444 H -0.02 0.28 0.07 -0.55 8.28 8.06 1n75A1 THR 444 HA 0.07 0.19 0.61 -0.75 4.39 4.51 1n75A1 THR 444 HB 0.12 0.04 0.06 -0.04 4.32 4.49 1n75A1 THR 444 HG23 -0.17 0.01 -0.43 -0.04 1.22 0.59 1n75A1 PRO 445 HA 0.02 0.10 0.50 -0.51 4.44 4.55 1n75A1 PRO 445 HB2 0.02 -0.10 0.10 -0.04 2.28 2.26 1n75A1 PRO 445 HB3 0.04 0.27 0.09 -0.04 2.02 2.38 1n75A1 PRO 445 HG2 0.05 -0.02 -0.11 -0.04 2.03 1.91 1n75A1 PRO 445 HG3 0.05 0.06 -0.11 -0.04 2.03 1.99 1n75A1 PRO 445 HD2 0.14 0.12 0.12 -0.04 3.68 4.02 1n75A1 PRO 445 HD3 0.09 0.18 0.04 -0.04 3.65 3.91 1n75A1 GLY 446 H 0.01 0.15 0.11 -0.55 8.43 8.16 1n75A1 GLY 446 HA2 -0.01 0.02 0.37 -0.51 4.01 3.87 1n75A1 GLY 446 HA3 0.02 -0.03 0.35 -0.51 4.01 3.83 1n75A1 LEU 447 H -0.15 0.15 0.14 -0.55 8.37 7.96 1n75A1 LEU 447 HA -0.18 0.21 0.36 -0.75 4.35 3.99 1n75A1 LEU 447 HB2 -0.28 0.10 0.09 -0.04 1.64 1.50 1n75A1 LEU 447 HB3 -0.70 -0.11 0.10 -0.04 1.64 0.88 1n75A1 LEU 447 HG -0.56 -0.05 -0.29 -0.04 1.64 0.70 1n75A1 LEU 447 HD13 -0.19 0.03 -0.07 -0.04 0.93 0.66 1n75A1 LEU 447 HD23 -0.46 0.01 -0.04 -0.04 0.89 0.35 1n75A1 PHE 448 H -0.25 0.07 -0.19 -0.55 8.34 7.42 1n75A1 PHE 448 HA -0.09 0.15 0.40 -0.75 4.62 4.33 1n75A1 PHE 448 HB2 -0.05 -0.02 0.00 -0.04 3.15 3.03 1n75A1 PHE 448 HB3 -0.10 0.04 0.07 -0.04 3.06 3.03 1n75A1 PHE 448 HD2 -0.09 -0.00 -0.08 -0.04 7.28 7.07 1n75A1 PHE 448 HE2 -0.06 0.05 -0.09 -0.04 7.38 7.24 1n75A1 PHE 448 HZ -0.04 0.02 -0.03 -0.04 7.32 7.23 1n75A1 GLU 449 H 0.04 0.19 -0.37 -0.55 8.60 7.92 1n75A1 GLU 449 HA 0.05 0.02 0.47 -0.75 4.29 4.08 1n75A1 GLU 449 HB2 0.02 0.18 0.02 -0.04 2.09 2.27 1n75A1 GLU 449 HB3 0.03 0.04 0.01 -0.04 1.99 2.03 1n75A1 GLU 449 HG2 0.05 -0.05 -0.02 -0.04 2.34 2.27 1n75A1 GLU 449 HG3 0.06 -0.12 0.01 -0.04 2.34 2.25 1n75A1 ILE 450 H -0.00 0.46 -0.22 -0.55 8.25 7.93 1n75A1 ILE 450 HA 0.05 0.06 0.44 -0.75 4.18 3.97 1n75A1 ILE 450 HB -0.03 0.10 0.04 -0.04 1.89 1.97 1n75A1 ILE 450 HG12 0.06 -0.04 -0.10 -0.04 1.49 1.36 1n75A1 ILE 450 HG13 0.01 0.11 -0.17 -0.04 1.21 1.12 1n75A1 ILE 450 HG23 0.06 0.01 -0.15 -0.04 0.93 0.80 1n75A1 ILE 450 HD13 0.04 -0.00 -0.16 -0.04 0.88 0.72 1n75A1 LEU 451 H -0.01 0.42 -0.15 -0.55 8.37 8.09 1n75A1 LEU 451 HA 0.13 0.12 0.34 -0.75 4.35 4.18 1n75A1 LEU 451 HB2 -0.05 0.08 0.03 -0.04 1.64 1.66 1n75A1 LEU 451 HB3 -0.04 -0.05 0.02 -0.04 1.64 1.53 1n75A1 LEU 451 HG -0.27 -0.04 -0.21 -0.04 1.64 1.08 1n75A1 LEU 451 HD13 0.24 0.01 -0.02 -0.04 0.93 1.13 1n75A1 LEU 451 HD23 -0.11 -0.02 -0.11 -0.04 0.89 0.62 1n75A1 ALA 452 H 0.08 0.18 -0.68 -0.55 8.40 7.44 1n75A1 ALA 452 HA 0.49 0.13 0.65 -0.75 4.34 4.86 1n75A1 ALA 452 HB3 0.03 -0.00 -0.09 -0.04 1.41 1.31 1n75A1 LEU 453 H 0.13 0.24 -0.27 -0.55 8.37 7.93 1n75A1 LEU 453 HA 0.13 -0.02 0.36 -0.75 4.35 4.06 1n75A1 LEU 453 HB2 0.06 0.08 0.15 -0.04 1.64 1.90 1n75A1 LEU 453 HB3 0.11 0.12 0.18 -0.04 1.64 2.00 1n75A1 LEU 453 HG 0.29 0.03 -0.24 -0.04 1.64 1.68 1n75A1 LEU 453 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 1n75A1 LEU 453 HD23 -0.15 0.00 -0.03 -0.04 0.89 0.68 1n75A1 LEU 454 H 0.16 0.24 -0.13 -0.55 8.37 8.10 1n75A1 LEU 454 HA 0.10 0.04 0.41 -0.75 4.35 4.15 1n75A1 LEU 454 HB2 0.09 0.02 -0.04 -0.04 1.64 1.67 1n75A1 LEU 454 HB3 0.03 -0.06 -0.06 -0.04 1.64 1.51 1n75A1 LEU 454 HG 0.11 0.04 0.04 -0.04 1.64 1.79 1n75A1 LEU 454 HD13 0.06 0.03 -0.06 -0.04 0.93 0.92 1n75A1 LEU 454 HD23 0.10 -0.00 -0.02 -0.04 0.89 0.93 1n75A1 GLY 455 H 0.19 0.13 -0.36 -0.55 8.43 7.84 1n75A1 GLY 455 HA2 -0.04 0.10 0.29 -0.51 4.01 3.86 1n75A1 GLY 455 HA3 -0.10 0.16 0.84 -0.51 4.01 4.41 1n75A1 LYS 456 H -0.93 0.19 0.15 -0.55 8.42 7.26 1n75A1 LYS 456 HA -2.68 0.12 0.36 -0.75 4.32 1.37 1n75A1 LYS 456 HB2 -1.26 0.06 0.17 -0.04 1.87 0.79 1n75A1 LYS 456 HB3 -0.60 -0.12 0.21 -0.04 1.79 1.24 1n75A1 LYS 456 HG2 -0.52 -0.06 -0.23 -0.04 1.46 0.61 1n75A1 LYS 456 HG3 -1.10 0.06 0.01 -0.04 1.46 0.38 1n75A1 LYS 456 HD2 -0.09 0.15 0.07 -0.04 1.69 1.78 1n75A1 LYS 456 HD3 -0.20 -0.12 0.05 -0.04 1.68 1.36 1n75A1 LYS 456 HE2 -0.14 -0.14 0.04 -0.04 2.99 2.71 1n75A1 LYS 456 HE3 -0.04 0.15 0.10 -0.04 2.99 3.16 1n75A1 GLU 457 H -0.36 0.12 -0.02 -0.55 8.60 7.79 1n75A1 GLU 457 HA -0.19 0.09 0.38 -0.75 4.29 3.81 1n75A1 GLU 457 HB2 -0.13 -0.02 0.07 -0.04 2.09 1.97 1n75A1 GLU 457 HB3 -0.10 0.04 0.00 -0.04 1.99 1.90 1n75A1 GLU 457 HG2 -0.18 -0.04 0.10 -0.04 2.34 2.18 1n75A1 GLU 457 HG3 -0.10 0.03 0.04 -0.04 2.34 2.27 1n75A1 ARG 458 H -0.14 0.11 -0.29 -0.55 8.46 7.58 1n75A1 ARG 458 HA -0.04 0.03 0.38 -0.75 4.34 3.96 1n75A1 ARG 458 HB2 -0.04 0.08 -0.19 -0.04 1.90 1.70 1n75A1 ARG 458 HB3 -0.02 0.03 -0.01 -0.04 1.80 1.76 1n75A1 ARG 458 HG2 -0.05 -0.04 -0.03 -0.04 1.67 1.51 1n75A1 ARG 458 HG3 -0.07 -0.06 -0.02 -0.04 1.67 1.48 1n75A1 ARG 458 HD2 -0.05 -0.00 -0.01 -0.04 3.22 3.13 1n75A1 ARG 458 HD3 -0.05 -0.06 0.01 -0.04 3.22 3.08 1n75A1 ALA 459 H -0.13 0.55 -0.32 -0.55 8.40 7.95 1n75A1 ALA 459 HA 0.08 0.07 0.49 -0.75 4.34 4.22 1n75A1 ALA 459 HB3 0.18 -0.00 0.06 -0.04 1.41 1.60 1n75A1 LEU 460 H -0.12 0.77 0.09 -0.55 8.37 8.57 1n75A1 LEU 460 HA 0.14 0.00 0.38 -0.75 4.35 4.12 1n75A1 LEU 460 HB2 -0.05 0.05 0.13 -0.04 1.64 1.73 1n75A1 LEU 460 HB3 0.10 -0.05 -0.02 -0.04 1.64 1.63 1n75A1 LEU 460 HG -0.27 0.15 -0.00 -0.04 1.64 1.48 1n75A1 LEU 460 HD13 -0.15 -0.00 -0.08 -0.04 0.93 0.65 1n75A1 LEU 460 HD23 0.02 -0.00 -0.16 -0.04 0.89 0.70 1n75A1 ARG 461 H -0.01 0.61 -0.17 -0.55 8.46 8.34 1n75A1 ARG 461 HA 0.03 -0.02 0.36 -0.75 4.34 3.95 1n75A1 ARG 461 HB2 -0.00 0.14 0.15 -0.04 1.90 2.15 1n75A1 ARG 461 HB3 0.01 0.02 -0.05 -0.04 1.80 1.73 1n75A1 ARG 461 HG2 -0.01 -0.03 -0.01 -0.04 1.67 1.58 1n75A1 ARG 461 HG3 0.00 -0.04 0.03 -0.04 1.67 1.62 1n75A1 ARG 461 HD2 -0.03 0.18 -0.05 -0.04 3.22 3.28 1n75A1 ARG 461 HD3 -0.02 -0.07 -0.03 -0.04 3.22 3.06 1n75A1 ARG 462 H 0.04 0.42 -0.20 -0.55 8.46 8.18 1n75A1 ARG 462 HA 0.06 -0.01 0.43 -0.75 4.34 4.07 1n75A1 ARG 462 HB2 0.09 -0.01 0.15 -0.04 1.90 2.08 1n75A1 ARG 462 HB3 0.08 0.11 0.15 -0.04 1.80 2.10 1n75A1 ARG 462 HG2 0.12 0.05 -0.11 -0.04 1.67 1.69 1n75A1 ARG 462 HG3 0.18 -0.07 0.10 -0.04 1.67 1.84 1n75A1 ARG 462 HD2 0.07 -0.04 0.10 -0.04 3.22 3.30 1n75A1 ARG 462 HD3 0.14 0.13 0.03 -0.04 3.22 3.48 1n75A1 LEU 463 H 0.08 0.41 -0.33 -0.55 8.37 7.98 1n75A1 LEU 463 HA 0.05 0.06 0.40 -0.75 4.35 4.11 1n75A1 LEU 463 HB2 0.13 0.19 0.11 -0.04 1.64 2.03 1n75A1 LEU 463 HB3 0.17 0.01 0.02 -0.04 1.64 1.80 1n75A1 LEU 463 HG 0.08 0.00 -0.04 -0.04 1.64 1.64 1n75A1 LEU 463 HD13 0.19 -0.02 -0.07 -0.04 0.93 0.98 1n75A1 LEU 463 HD23 0.06 -0.02 -0.06 -0.04 0.89 0.83 1n75A1 GLU 464 H 0.03 0.67 -0.03 -0.55 8.60 8.73 1n75A1 GLU 464 HA -0.21 0.00 0.38 -0.75 4.29 3.71 1n75A1 GLU 464 HB2 -0.02 0.14 0.12 -0.04 2.09 2.29 1n75A1 GLU 464 HB3 -0.10 -0.07 0.01 -0.04 1.99 1.79 1n75A1 GLU 464 HG2 -0.23 -0.07 -0.00 -0.04 2.34 2.00 1n75A1 GLU 464 HG3 0.10 0.24 0.09 -0.04 2.34 2.73 1n75A1 ARG 465 H -0.00 0.42 -0.32 -0.55 8.46 8.00 1n75A1 ARG 465 HA -0.03 -0.04 0.38 -0.75 4.34 3.90 1n75A1 ARG 465 HB2 0.00 0.02 0.13 -0.04 1.90 2.01 1n75A1 ARG 465 HB3 0.01 0.28 0.13 -0.04 1.80 2.19 1n75A1 ARG 465 HG2 -0.03 -0.01 -0.08 -0.04 1.67 1.52 1n75A1 ARG 465 HG3 -0.02 -0.09 0.04 -0.04 1.67 1.56 1n75A1 ARG 465 HD2 -0.03 0.09 0.00 -0.04 3.22 3.24 1n75A1 ARG 465 HD3 -0.04 -0.07 -0.00 -0.04 3.22 3.08 1n75A1 ALA 466 H 0.00 0.37 -0.26 -0.55 8.40 7.97 1n75A1 ALA 466 HA -0.01 0.02 0.47 -0.75 4.34 4.07 1n75A1 ALA 466 HB3 0.02 0.05 0.13 -0.04 1.41 1.56 1n75A1 LEU 467 H -0.05 0.41 -0.24 -0.55 8.37 7.94 1n75A1 LEU 467 HA -0.04 0.05 0.56 -0.75 4.35 4.17 1n75A1 LEU 467 HB2 -0.16 0.04 0.07 -0.04 1.64 1.55 1n75A1 LEU 467 HB3 -0.10 -0.08 0.04 -0.04 1.64 1.46 1n75A1 LEU 467 HG -0.04 0.21 -0.04 -0.04 1.64 1.72 1n75A1 LEU 467 HD13 -0.17 -0.03 -0.12 -0.04 0.93 0.57 1n75A1 LEU 467 HD23 -0.01 -0.02 -0.11 -0.04 0.89 0.70 1n75A1 ALA 468 H -0.05 0.39 -0.36 -0.55 8.40 7.83 1n75A1 ALA 468 HA -0.05 0.01 0.27 -0.75 4.34 3.81 1n75A1 ALA 468 HB3 -0.04 0.03 0.07 -0.04 1.41 1.43