============================================================================= 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 17 0.900 45.280 -2.434 10.285 -99.200 -91.000 PHE 21 1.000 43.416 -0.178 0.929 -99.200 -91.000 TRP 22 1.040 53.636 -3.165 -0.903 -99.200 -91.000 TRP6 22 1.020 54.867 -1.376 0.043 -99.200 -91.000 TYR 34 0.840 60.228 0.386 3.686 -99.200 -91.000 PHE 42 1.000 54.172 0.133 13.279 -99.200 -91.000 PHE 47 1.000 52.799 1.219 28.167 -99.200 -91.000 PHE 48 1.000 52.643 6.199 24.174 -99.200 -91.000 PHE 49 1.000 43.490 0.930 21.548 -99.200 -91.000 PHE 56 1.000 37.284 5.575 27.043 -99.200 -91.000 TRP 79 1.040 53.639 41.375 42.184 -99.200 -91.000 TRP6 79 1.020 51.288 41.139 42.401 -99.200 -91.000 PHE 85 1.000 66.964 43.050 37.708 -99.200 -91.000 TYR 109 0.840 45.235 30.850 6.504 -99.200 -91.000 TYR 114 0.840 41.252 33.914 10.338 -99.200 -91.000 PHE 125 1.000 52.515 32.635 13.626 -99.200 -91.000 TYR 142 0.840 60.773 52.618 32.173 -99.200 -91.000 TYR 143 0.840 65.647 47.701 34.423 -99.200 -91.000 TRP 151 1.040 57.886 33.915 19.664 -99.200 -91.000 TRP6 151 1.020 57.147 35.284 17.884 -99.200 -91.000 TYR 152 0.840 63.527 28.613 23.191 -99.200 -91.000 PHE 166 1.000 52.750 34.968 8.004 -99.200 -91.000 PHE 167 1.000 57.255 33.630 12.707 -99.200 -91.000 HIS 170 0.900 54.709 38.808 6.823 -99.200 -91.000 TYR 172 0.840 62.893 34.826 10.929 -99.200 -91.000 PHE 173 1.000 55.857 38.516 11.586 -99.200 -91.000 PHE 182 1.000 60.116 29.238 13.213 -99.200 -91.000 PHE 183 1.000 59.829 23.413 20.600 -99.200 -91.000 PHE 193 1.000 35.467 3.744 18.968 -99.200 -91.000 TYR 216 0.840 55.448 19.610 29.264 -99.200 -91.000 TRP 234 1.040 64.383 31.807 37.046 -99.200 -91.000 TRP6 234 1.020 65.231 29.973 38.283 -99.200 -91.000 HIS 237 0.900 53.622 34.387 28.611 -99.200 -91.000 TYR 239 0.840 52.492 33.296 23.296 -99.200 -91.000 PHE 253 1.000 51.662 34.349 34.493 -99.200 -91.000 PHE 256 1.000 51.272 36.215 41.517 -99.200 -91.000 TYR 288 0.840 47.794 24.220 44.348 -99.200 -91.000 TYR 293 0.840 36.909 22.634 26.696 -99.200 -91.000 PHE 312 1.000 35.393 23.478 41.825 -99.200 -91.000 HIS 320 0.900 49.579 26.967 31.072 -99.200 -91.000 PHE 321 1.000 57.501 32.028 36.076 -99.200 -91.000 PHE 322 1.000 54.897 25.480 32.444 -99.200 -91.000 PHE 326 1.000 57.520 22.329 36.922 -99.200 -91.000 TYR 334 0.840 58.582 15.572 38.050 -99.200 -91.000 HIS 340 0.900 49.202 9.635 25.151 -99.200 -91.000 HIS 341 0.900 43.750 14.601 29.806 -99.200 -91.000 TYR 349 0.840 36.468 4.607 7.469 -99.200 -91.000 PHE 370 1.000 44.111 17.772 27.459 -99.200 -91.000 PHE 372 1.000 45.291 21.479 31.278 -99.200 -91.000 PHE 375 1.000 49.380 24.272 35.379 -99.200 -91.000 PHE 377 1.000 54.213 15.013 37.900 -99.200 -91.000 PHE 381 1.000 49.434 26.122 39.871 -99.200 -91.000 TYR 384 0.840 48.921 38.343 37.825 -99.200 -91.000 PHE 392 1.000 40.275 33.430 27.180 -99.200 -91.000 HIS 412 0.900 33.475 44.071 16.082 -99.200 -91.000 HIS 418 0.900 44.623 48.164 20.952 -99.200 -91.000 HIS 419 0.900 36.055 53.597 22.620 -99.200 -91.000 TRP 421 1.040 44.531 50.005 26.237 -99.200 -91.000 TRP6 421 1.020 46.205 48.936 24.938 -99.200 -91.000 HIS 428 0.900 37.516 63.326 25.516 -99.200 -91.000 PHE 429 1.000 38.147 57.081 19.559 -99.200 -91.000 TYR 461 0.840 53.155 44.168 26.924 -99.200 -91.000 TYR 469 0.840 51.834 58.991 20.233 -99.200 -91.000 PHE 475 1.000 42.867 61.543 18.593 -99.200 -91.000 HIS 476 0.900 36.470 63.443 12.602 -99.200 -91.000 HIS 487 0.900 49.291 56.971 10.633 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1jv3A1 MET 1 HA 0.04 -0.13 0.24 -0.75 4.52 3.91 1jv3A1 ASN 2 H 0.05 -0.02 0.18 -0.55 8.53 8.19 1jv3A1 ASN 2 HA 0.05 0.33 0.84 -0.75 4.76 5.22 1jv3A1 ASN 2 HB2 0.01 -0.06 0.21 -0.04 2.88 2.99 1jv3A1 ASN 2 HB3 0.01 0.19 -0.04 -0.04 2.79 2.91 1jv3A1 ASN 2 HD21 -0.00 0.04 0.01 -0.04 7.03 7.03 1jv3A1 ASN 2 HD22 0.00 0.11 0.01 -0.04 7.74 7.83 1jv3A1 ILE 3 H 0.01 0.26 0.16 -0.55 8.25 8.13 1jv3A1 ILE 3 HA 0.00 0.11 0.36 -0.75 4.18 3.90 1jv3A1 ILE 3 HB -0.06 0.06 0.14 -0.04 1.89 1.99 1jv3A1 ILE 3 HG12 -0.94 0.05 0.03 -0.04 1.49 0.59 1jv3A1 ILE 3 HG13 -0.49 -0.02 0.04 -0.04 1.21 0.70 1jv3A1 ILE 3 HG23 -0.03 0.01 -0.04 -0.04 0.93 0.83 1jv3A1 ILE 3 HD13 -1.05 0.00 0.07 -0.04 0.88 -0.14 1jv3A1 ASN 4 H -0.03 0.01 -0.51 -0.55 8.53 7.45 1jv3A1 ASN 4 HA -0.09 0.16 0.57 -0.75 4.76 4.65 1jv3A1 ASN 4 HB2 -0.02 -0.05 0.08 -0.04 2.88 2.84 1jv3A1 ASN 4 HB3 -0.03 0.07 -0.04 -0.04 2.79 2.75 1jv3A1 ASN 4 HD21 -0.01 0.05 -0.01 -0.04 7.03 7.02 1jv3A1 ASN 4 HD22 -0.01 -0.00 0.01 -0.04 7.74 7.69 1jv3A1 ASP 5 H -0.01 0.09 0.01 -0.55 8.40 7.93 1jv3A1 ASP 5 HA -0.04 0.10 0.47 -0.75 4.63 4.41 1jv3A1 ASP 5 HB2 0.00 0.09 0.10 -0.04 2.71 2.86 1jv3A1 ASP 5 HB3 -0.01 0.07 0.09 -0.04 2.70 2.81 1jv3A1 LEU 6 H -0.04 0.39 -0.19 -0.55 8.37 7.99 1jv3A1 LEU 6 HA -0.10 0.09 0.37 -0.75 4.35 3.95 1jv3A1 LEU 6 HB2 -0.14 0.06 -0.00 -0.04 1.64 1.51 1jv3A1 LEU 6 HB3 -0.14 0.00 0.05 -0.04 1.64 1.51 1jv3A1 LEU 6 HG -0.22 -0.02 -0.29 -0.04 1.64 1.06 1jv3A1 LEU 6 HD13 -0.14 -0.00 -0.06 -0.04 0.93 0.69 1jv3A1 LEU 6 HD23 -0.36 0.01 -0.06 -0.04 0.89 0.44 1jv3A1 LYS 7 H -0.15 0.39 -0.26 -0.55 8.42 7.84 1jv3A1 LYS 7 HA -0.20 0.00 0.37 -0.75 4.32 3.75 1jv3A1 LYS 7 HB2 -0.20 0.14 0.21 -0.04 1.87 1.97 1jv3A1 LYS 7 HB3 -0.12 0.13 0.18 -0.04 1.79 1.93 1jv3A1 LYS 7 HG2 -0.10 0.00 -0.05 -0.04 1.46 1.27 1jv3A1 LYS 7 HG3 -0.13 -0.08 0.04 -0.04 1.46 1.24 1jv3A1 LYS 7 HD2 -0.20 -0.01 0.04 -0.04 1.69 1.48 1jv3A1 LYS 7 HD3 -0.16 0.01 0.02 -0.04 1.68 1.51 1jv3A1 LYS 7 HE2 -0.08 0.00 -0.01 -0.04 2.99 2.86 1jv3A1 LYS 7 HE3 -0.10 -0.03 -0.01 -0.04 2.99 2.81 1jv3A1 LEU 8 H -0.09 0.39 -0.31 -0.55 8.37 7.80 1jv3A1 LEU 8 HA -0.08 0.00 0.39 -0.75 4.35 3.91 1jv3A1 LEU 8 HB2 -0.06 0.03 0.14 -0.04 1.64 1.71 1jv3A1 LEU 8 HB3 -0.06 0.13 0.19 -0.04 1.64 1.86 1jv3A1 LEU 8 HG -0.04 0.01 -0.15 -0.04 1.64 1.41 1jv3A1 LEU 8 HD13 -0.04 -0.01 0.04 -0.04 0.93 0.87 1jv3A1 LEU 8 HD23 -0.03 -0.00 0.00 -0.04 0.89 0.82 1jv3A1 THR 9 H -0.09 0.59 -0.03 -0.55 8.28 8.20 1jv3A1 THR 9 HA -0.07 0.00 0.40 -0.75 4.39 3.98 1jv3A1 THR 9 HB -0.11 0.13 0.20 -0.04 4.32 4.50 1jv3A1 THR 9 HG23 0.00 -0.01 -0.10 -0.04 1.22 1.07 1jv3A1 LEU 10 H -0.23 0.69 -0.18 -0.55 8.37 8.10 1jv3A1 LEU 10 HA -0.59 0.04 0.38 -0.75 4.35 3.43 1jv3A1 LEU 10 HB2 -0.27 0.12 0.07 -0.04 1.64 1.51 1jv3A1 LEU 10 HB3 -0.33 -0.10 -0.45 -0.04 1.64 0.72 1jv3A1 LEU 10 HG -0.49 0.05 -0.05 -0.04 1.64 1.11 1jv3A1 LEU 10 HD13 -0.24 -0.02 -0.14 -0.04 0.93 0.48 1jv3A1 LEU 10 HD23 -0.91 0.03 -0.04 -0.04 0.89 -0.07 1jv3A1 SER 11 H -0.15 0.74 -0.06 -0.55 8.46 8.44 1jv3A1 SER 11 HA -0.09 -0.17 0.45 -0.75 4.49 3.93 1jv3A1 SER 11 HB2 -0.10 0.17 0.17 -0.04 3.95 4.15 1jv3A1 SER 11 HB3 -0.08 0.09 0.16 -0.04 3.93 4.06 1jv3A1 LYS 12 H -0.09 0.71 -0.07 -0.55 8.42 8.43 1jv3A1 LYS 12 HA -0.04 0.02 0.40 -0.75 4.32 3.95 1jv3A1 LYS 12 HB2 -0.05 0.09 0.09 -0.04 1.87 1.96 1jv3A1 LYS 12 HB3 -0.03 -0.04 0.07 -0.04 1.79 1.75 1jv3A1 LYS 12 HG2 -0.03 -0.05 0.04 -0.04 1.46 1.38 1jv3A1 LYS 12 HG3 -0.05 0.19 0.09 -0.04 1.46 1.65 1jv3A1 LYS 12 HD2 -0.03 -0.01 -0.03 -0.04 1.69 1.59 1jv3A1 LYS 12 HD3 -0.02 -0.02 0.01 -0.04 1.68 1.61 1jv3A1 LYS 12 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.90 1jv3A1 LYS 12 HE3 -0.04 -0.03 -0.05 -0.04 2.99 2.84 1jv3A1 ALA 13 H -0.11 0.28 -0.52 -0.55 8.40 7.50 1jv3A1 ALA 13 HA -0.01 0.15 0.74 -0.75 4.34 4.46 1jv3A1 ALA 13 HB3 -0.04 -0.01 0.08 -0.04 1.41 1.40 1jv3A1 GLY 14 H -0.06 0.51 -0.36 -0.55 8.43 7.98 1jv3A1 GLY 14 HA2 -0.04 -0.02 0.36 -0.51 4.01 3.80 1jv3A1 GLY 14 HA3 -0.03 0.09 0.46 -0.51 4.01 4.02 1jv3A1 GLN 15 H -0.11 0.76 -0.08 -0.55 8.47 8.48 1jv3A1 GLN 15 HA 0.16 0.19 0.93 -0.75 4.36 4.89 1jv3A1 GLN 15 HB2 -0.38 0.00 0.05 -0.04 2.15 1.78 1jv3A1 GLN 15 HB3 -0.16 -0.09 0.17 -0.04 2.02 1.90 1jv3A1 GLN 15 HG2 -0.04 0.28 -0.34 -0.04 2.40 2.26 1jv3A1 GLN 15 HG3 0.07 -0.06 -0.01 -0.04 2.39 2.35 1jv3A1 GLN 15 HE21 -0.06 0.34 0.20 -0.04 6.97 7.40 1jv3A1 GLN 15 HE22 0.01 0.09 0.03 -0.04 7.69 7.79 1jv3A1 GLU 16 H -0.04 0.22 -0.18 -0.55 8.60 8.05 1jv3A1 GLU 16 HA -0.17 0.07 0.28 -0.75 4.29 3.72 1jv3A1 GLU 16 HB2 -0.09 0.02 0.07 -0.04 2.09 2.04 1jv3A1 GLU 16 HB3 -0.09 0.02 0.05 -0.04 1.99 1.93 1jv3A1 GLU 16 HG2 -0.01 -0.02 -0.04 -0.04 2.34 2.23 1jv3A1 GLU 16 HG3 -0.03 -0.00 -0.28 -0.04 2.34 1.99 1jv3A1 HIS 17 H 0.22 0.17 -0.37 -0.55 8.41 7.88 1jv3A1 HIS 17 HA -0.08 0.05 0.37 -0.75 4.63 4.21 1jv3A1 HIS 17 HB2 -0.06 0.01 0.07 -0.04 3.26 3.24 1jv3A1 HIS 17 HB3 -0.07 0.02 0.05 -0.04 3.20 3.16 1jv3A1 HIS 17 HD2 -0.00 -0.04 -0.13 -0.04 6.97 6.76 1jv3A1 HIS 17 HE1 -0.07 -0.02 0.14 -0.04 7.75 7.76 1jv3A1 LEU 18 H -0.52 0.48 -0.50 -0.55 8.37 7.28 1jv3A1 LEU 18 HA -0.22 0.08 0.44 -0.75 4.35 3.90 1jv3A1 LEU 18 HB2 -0.24 0.09 0.05 -0.04 1.64 1.49 1jv3A1 LEU 18 HB3 -0.09 -0.04 0.02 -0.04 1.64 1.48 1jv3A1 LEU 18 HG -0.66 0.03 0.06 -0.04 1.64 1.03 1jv3A1 LEU 18 HD13 -0.02 -0.02 0.00 -0.04 0.93 0.86 1jv3A1 LEU 18 HD23 -0.15 0.00 -0.14 -0.04 0.89 0.56 1jv3A1 LEU 19 H -0.12 0.51 -0.30 -0.55 8.37 7.91 1jv3A1 LEU 19 HA 0.12 0.18 0.83 -0.75 4.35 4.74 1jv3A1 LEU 19 HB2 -0.13 0.15 0.09 -0.04 1.64 1.71 1jv3A1 LEU 19 HB3 -0.11 -0.08 0.16 -0.04 1.64 1.57 1jv3A1 LEU 19 HG -0.16 0.00 -0.17 -0.04 1.64 1.27 1jv3A1 LEU 19 HD13 -0.36 -0.01 -0.02 -0.04 0.93 0.50 1jv3A1 LEU 19 HD23 -0.15 0.02 -0.05 -0.04 0.89 0.67 1jv3A1 ARG 20 H -0.08 0.48 -0.27 -0.55 8.46 8.04 1jv3A1 ARG 20 HA -0.08 0.04 0.26 -0.75 4.34 3.81 1jv3A1 ARG 20 HB2 -0.25 -0.02 0.11 -0.04 1.90 1.69 1jv3A1 ARG 20 HB3 -0.17 0.07 0.19 -0.04 1.80 1.85 1jv3A1 ARG 20 HG2 -0.91 -0.03 -0.05 -0.04 1.67 0.64 1jv3A1 ARG 20 HG3 -1.32 -0.01 -0.29 -0.04 1.67 0.02 1jv3A1 ARG 20 HD2 -0.17 0.11 0.03 -0.04 3.22 3.15 1jv3A1 ARG 20 HD3 -0.58 -0.01 -0.07 -0.04 3.22 2.51 1jv3A1 PHE 21 H 0.11 0.19 -0.36 -0.55 8.34 7.74 1jv3A1 PHE 21 HA 0.07 0.18 0.72 -0.75 4.62 4.84 1jv3A1 PHE 21 HB2 0.07 0.17 -0.03 -0.04 3.15 3.32 1jv3A1 PHE 21 HB3 0.03 -0.07 0.05 -0.04 3.06 3.04 1jv3A1 PHE 21 HD2 0.04 0.08 -0.02 -0.04 7.28 7.35 1jv3A1 PHE 21 HE2 0.05 0.06 -0.16 -0.04 7.38 7.29 1jv3A1 PHE 21 HZ 0.05 0.24 -0.18 -0.04 7.32 7.39 1jv3A1 TRP 22 H 0.33 0.56 -0.26 -0.55 7.97 8.05 1jv3A1 TRP 22 HA 0.07 0.00 0.32 -0.75 4.62 4.26 1jv3A1 TRP 22 HB2 0.03 0.04 0.19 -0.04 3.23 3.45 1jv3A1 TRP 22 HB3 0.02 0.03 0.11 -0.04 3.23 3.35 1jv3A1 TRP 22 HD1 0.02 0.01 -0.18 -0.04 7.22 7.03 1jv3A1 TRP 22 HE1 0.02 -0.02 -0.03 -0.04 10.20 10.12 1jv3A1 TRP 22 HE3 0.06 0.04 0.03 -0.04 7.59 7.69 1jv3A1 TRP 22 HZ2 0.01 -0.03 0.00 -0.04 7.44 7.38 1jv3A1 TRP 22 HZ3 0.14 0.02 0.05 -0.04 7.13 7.29 1jv3A1 TRP 22 HH2 0.12 0.04 -0.00 -0.04 7.19 7.31 1jv3A1 ASN 23 H 0.22 0.17 -0.25 -0.55 8.53 8.13 1jv3A1 ASN 23 HA -0.00 0.10 0.49 -0.75 4.76 4.60 1jv3A1 ASN 23 HB2 0.09 0.04 0.02 -0.04 2.88 2.99 1jv3A1 ASN 23 HB3 0.06 0.01 0.10 -0.04 2.79 2.92 1jv3A1 ASN 23 HD21 0.10 -0.02 -0.00 -0.04 7.03 7.07 1jv3A1 ASN 23 HD22 0.08 0.02 0.00 -0.04 7.74 7.80 1jv3A1 GLU 24 H 0.08 0.55 -0.35 -0.55 8.60 8.34 1jv3A1 GLU 24 HA 0.01 0.14 0.75 -0.75 4.29 4.44 1jv3A1 GLU 24 HB2 0.12 0.06 0.01 -0.04 2.09 2.24 1jv3A1 GLU 24 HB3 0.05 -0.05 0.11 -0.04 1.99 2.06 1jv3A1 GLU 24 HG2 0.08 0.00 -0.05 -0.04 2.34 2.33 1jv3A1 GLU 24 HG3 0.14 -0.05 -0.03 -0.04 2.34 2.36 1jv3A1 LEU 25 H -0.10 0.31 -0.20 -0.55 8.37 7.83 1jv3A1 LEU 25 HA -0.08 0.03 0.59 -0.75 4.35 4.13 1jv3A1 LEU 25 HB2 -0.36 0.13 0.03 -0.04 1.64 1.39 1jv3A1 LEU 25 HB3 -0.17 -0.16 -0.02 -0.04 1.64 1.25 1jv3A1 LEU 25 HG 0.02 0.24 -0.24 -0.04 1.64 1.62 1jv3A1 LEU 25 HD13 0.01 0.01 -0.18 -0.04 0.93 0.73 1jv3A1 LEU 25 HD23 -0.02 -0.02 -0.27 -0.04 0.89 0.54 1jv3A1 GLU 26 H -0.10 0.04 0.17 -0.55 8.60 8.17 1jv3A1 GLU 26 HA -0.09 0.19 0.48 -0.75 4.29 4.12 1jv3A1 GLU 26 HB2 -0.07 -0.20 0.10 -0.04 2.09 1.87 1jv3A1 GLU 26 HB3 -0.06 0.03 0.17 -0.04 1.99 2.09 1jv3A1 GLU 26 HG2 -0.06 0.13 0.05 -0.04 2.34 2.42 1jv3A1 GLU 26 HG3 -0.06 -0.02 0.15 -0.04 2.34 2.36 1jv3A1 GLU 27 H -0.09 0.20 0.18 -0.55 8.60 8.34 1jv3A1 GLU 27 HA -0.19 0.16 0.42 -0.75 4.29 3.92 1jv3A1 GLU 27 HB2 -0.07 -0.02 0.17 -0.04 2.09 2.12 1jv3A1 GLU 27 HB3 -0.07 0.03 0.03 -0.04 1.99 1.94 1jv3A1 GLU 27 HG2 -0.09 0.03 0.07 -0.04 2.34 2.30 1jv3A1 GLU 27 HG3 -0.10 0.03 0.09 -0.04 2.34 2.33 1jv3A1 ALA 28 H -0.07 0.09 -0.17 -0.55 8.40 7.71 1jv3A1 ALA 28 HA -0.04 0.12 0.40 -0.75 4.34 4.07 1jv3A1 ALA 28 HB3 -0.03 0.03 0.05 -0.04 1.41 1.41 1jv3A1 GLN 29 H -0.09 0.12 -0.33 -0.55 8.47 7.62 1jv3A1 GLN 29 HA -0.03 0.10 0.54 -0.75 4.36 4.21 1jv3A1 GLN 29 HB2 -0.11 0.05 0.13 -0.04 2.15 2.19 1jv3A1 GLN 29 HB3 -0.06 0.03 0.03 -0.04 2.02 1.98 1jv3A1 GLN 29 HG2 -0.04 0.06 0.02 -0.04 2.40 2.40 1jv3A1 GLN 29 HG3 -0.05 -0.07 0.02 -0.04 2.39 2.24 1jv3A1 GLN 29 HE21 -0.05 0.06 0.02 -0.04 6.97 6.95 1jv3A1 GLN 29 HE22 -0.04 0.02 0.00 -0.04 7.69 7.63 1jv3A1 GLN 30 H -0.23 0.48 -0.19 -0.55 8.47 7.98 1jv3A1 GLN 30 HA -0.34 0.03 0.38 -0.75 4.36 3.67 1jv3A1 GLN 30 HB2 -0.44 0.11 0.12 -0.04 2.15 1.90 1jv3A1 GLN 30 HB3 -1.37 -0.05 0.04 -0.04 2.02 0.59 1jv3A1 GLN 30 HG2 -1.32 -0.01 0.03 -0.04 2.40 1.05 1jv3A1 GLN 30 HG3 -0.54 0.17 -0.13 -0.04 2.39 1.85 1jv3A1 GLN 30 HE21 -0.63 -0.10 -0.03 -0.04 6.97 6.17 1jv3A1 GLN 30 HE22 -1.35 0.51 0.11 -0.04 7.69 6.93 1jv3A1 VAL 31 H -0.06 0.38 -0.26 -0.55 8.24 7.75 1jv3A1 VAL 31 HA 0.09 0.02 0.42 -0.75 4.13 3.90 1jv3A1 VAL 31 HB 0.00 0.11 0.16 -0.04 2.12 2.34 1jv3A1 VAL 31 HG13 0.03 -0.00 -0.09 -0.04 0.97 0.86 1jv3A1 VAL 31 HG23 -0.03 0.06 0.04 -0.04 0.95 0.97 1jv3A1 GLU 32 H 0.03 0.38 -0.17 -0.55 8.60 8.30 1jv3A1 GLU 32 HA 0.07 0.02 0.44 -0.75 4.29 4.07 1jv3A1 GLU 32 HB2 0.02 0.03 0.17 -0.04 2.09 2.28 1jv3A1 GLU 32 HB3 0.03 0.09 0.23 -0.04 1.99 2.30 1jv3A1 GLU 32 HG2 0.05 0.01 -0.13 -0.04 2.34 2.22 1jv3A1 GLU 32 HG3 0.03 -0.03 0.04 -0.04 2.34 2.34 1jv3A1 LEU 33 H 0.10 0.71 0.04 -0.55 8.37 8.67 1jv3A1 LEU 33 HA 0.12 0.03 0.37 -0.75 4.35 4.12 1jv3A1 LEU 33 HB2 0.15 0.03 0.15 -0.04 1.64 1.92 1jv3A1 LEU 33 HB3 0.33 -0.00 0.13 -0.04 1.64 2.06 1jv3A1 LEU 33 HG 0.25 -0.04 -0.27 -0.04 1.64 1.55 1jv3A1 LEU 33 HD13 0.12 -0.04 -0.16 -0.04 0.93 0.82 1jv3A1 LEU 33 HD23 0.37 0.04 0.01 -0.04 0.89 1.27 1jv3A1 TYR 34 H 0.44 0.69 -0.14 -0.55 8.29 8.72 1jv3A1 TYR 34 HA 0.18 -0.04 0.34 -0.75 4.56 4.28 1jv3A1 TYR 34 HB2 0.49 0.04 0.15 -0.04 3.06 3.70 1jv3A1 TYR 34 HB3 0.20 0.10 0.19 -0.04 2.98 3.42 1jv3A1 TYR 34 HD2 0.04 0.02 -0.12 -0.04 7.15 7.04 1jv3A1 TYR 34 HE2 -0.00 -0.05 -0.22 -0.04 6.85 6.53 1jv3A1 ALA 35 H 0.28 0.57 -0.14 -0.55 8.40 8.56 1jv3A1 ALA 35 HA 0.13 -0.03 0.32 -0.75 4.34 4.01 1jv3A1 ALA 35 HB3 0.12 0.02 0.11 -0.04 1.41 1.62 1jv3A1 GLU 36 H 0.08 0.54 -0.13 -0.55 8.60 8.55 1jv3A1 GLU 36 HA 0.02 -0.00 0.43 -0.75 4.29 3.99 1jv3A1 GLU 36 HB2 0.05 0.00 0.11 -0.04 2.09 2.21 1jv3A1 GLU 36 HB3 0.06 0.10 0.15 -0.04 1.99 2.26 1jv3A1 GLU 36 HG2 0.02 0.01 -0.20 -0.04 2.34 2.13 1jv3A1 GLU 36 HG3 0.02 -0.03 0.02 -0.04 2.34 2.31 1jv3A1 LEU 37 H 0.03 0.63 -0.09 -0.55 8.37 8.39 1jv3A1 LEU 37 HA 0.11 -0.01 0.41 -0.75 4.35 4.10 1jv3A1 LEU 37 HB2 -0.07 0.11 0.11 -0.04 1.64 1.76 1jv3A1 LEU 37 HB3 0.10 -0.09 0.00 -0.04 1.64 1.62 1jv3A1 LEU 37 HG 0.08 0.25 0.02 -0.04 1.64 1.96 1jv3A1 LEU 37 HD13 0.00 -0.02 -0.13 -0.04 0.93 0.74 1jv3A1 LEU 37 HD23 0.14 -0.02 -0.07 -0.04 0.89 0.90 1jv3A1 GLN 38 H -0.13 0.51 -0.15 -0.55 8.47 8.15 1jv3A1 GLN 38 HA -0.07 0.01 0.49 -0.75 4.36 4.03 1jv3A1 GLN 38 HB2 -0.12 0.12 0.11 -0.04 2.15 2.22 1jv3A1 GLN 38 HB3 -0.07 -0.04 0.02 -0.04 2.02 1.89 1jv3A1 GLN 38 HG2 -0.73 0.02 -0.03 -0.04 2.40 1.62 1jv3A1 GLN 38 HG3 -0.50 -0.04 -0.07 -0.04 2.39 1.75 1jv3A1 GLN 38 HE21 -0.06 -0.05 -0.07 -0.04 6.97 6.75 1jv3A1 GLN 38 HE22 -0.30 -0.05 -0.11 -0.04 7.69 7.18 1jv3A1 ALA 39 H -0.04 0.36 -0.37 -0.55 8.40 7.80 1jv3A1 ALA 39 HA -0.04 0.10 0.64 -0.75 4.34 4.29 1jv3A1 ALA 39 HB3 -0.02 -0.01 0.12 -0.04 1.41 1.46 1jv3A1 MET 40 H -0.17 0.38 -0.51 -0.55 8.47 7.63 1jv3A1 MET 40 HA -0.22 0.13 0.92 -0.75 4.52 4.59 1jv3A1 MET 40 HB2 -0.78 0.14 0.09 -0.04 2.15 1.56 1jv3A1 MET 40 HB3 -0.76 -0.10 -0.05 -0.04 2.03 1.08 1jv3A1 MET 40 HG2 -0.16 -0.04 -0.05 -0.04 2.63 2.34 1jv3A1 MET 40 HG3 -0.13 0.22 -0.15 -0.04 2.56 2.46 1jv3A1 MET 40 HE3 -0.08 -0.01 -0.04 -0.04 2.10 1.93 1jv3A1 ASN 41 H -0.24 0.20 0.09 -0.55 8.53 8.03 1jv3A1 ASN 41 HA -0.15 0.20 0.84 -0.75 4.76 4.89 1jv3A1 ASN 41 HB2 -0.10 0.13 0.08 -0.04 2.88 2.95 1jv3A1 ASN 41 HB3 -0.12 -0.03 0.26 -0.04 2.79 2.86 1jv3A1 ASN 41 HD21 -0.08 0.03 0.04 -0.04 7.03 6.98 1jv3A1 ASN 41 HD22 -0.07 0.08 0.04 -0.04 7.74 7.75 1jv3A1 PHE 42 H -0.13 0.34 0.01 -0.55 8.34 8.01 1jv3A1 PHE 42 HA -0.03 0.08 0.42 -0.75 4.62 4.34 1jv3A1 PHE 42 HB2 -0.04 0.02 0.08 -0.04 3.15 3.17 1jv3A1 PHE 42 HB3 -0.03 0.07 0.05 -0.04 3.06 3.11 1jv3A1 PHE 42 HD2 -0.05 0.00 0.01 -0.04 7.28 7.21 1jv3A1 PHE 42 HE2 -0.07 0.07 0.00 -0.04 7.38 7.34 1jv3A1 PHE 42 HZ -0.07 -0.02 0.04 -0.04 7.32 7.22 1jv3A1 GLU 43 H 0.05 0.10 -0.10 -0.55 8.60 8.11 1jv3A1 GLU 43 HA 0.05 0.16 0.51 -0.75 4.29 4.26 1jv3A1 GLU 43 HB2 -0.03 -0.06 0.10 -0.04 2.09 2.06 1jv3A1 GLU 43 HB3 -0.02 0.06 0.02 -0.04 1.99 2.01 1jv3A1 GLU 43 HG2 0.02 0.07 0.03 -0.04 2.34 2.42 1jv3A1 GLU 43 HG3 0.03 -0.05 0.07 -0.04 2.34 2.35 1jv3A1 GLU 44 H -0.10 0.07 -0.14 -0.55 8.60 7.88 1jv3A1 GLU 44 HA -0.24 0.07 0.42 -0.75 4.29 3.79 1jv3A1 GLU 44 HB2 -0.22 0.00 0.11 -0.04 2.09 1.94 1jv3A1 GLU 44 HB3 -0.21 0.08 0.15 -0.04 1.99 1.97 1jv3A1 GLU 44 HG2 -1.00 0.02 -0.28 -0.04 2.34 1.03 1jv3A1 GLU 44 HG3 -0.93 0.00 0.03 -0.04 2.34 1.40 1jv3A1 LEU 45 H -0.10 0.50 -0.12 -0.55 8.37 8.11 1jv3A1 LEU 45 HA 0.06 0.01 0.44 -0.75 4.35 4.12 1jv3A1 LEU 45 HB2 0.04 0.08 0.13 -0.04 1.64 1.85 1jv3A1 LEU 45 HB3 0.07 0.01 0.01 -0.04 1.64 1.69 1jv3A1 LEU 45 HG -0.10 0.17 0.08 -0.04 1.64 1.74 1jv3A1 LEU 45 HD13 -0.16 -0.02 -0.06 -0.04 0.93 0.65 1jv3A1 LEU 45 HD23 0.10 -0.00 0.07 -0.04 0.89 1.01 1jv3A1 ASN 46 H 0.06 0.47 -0.22 -0.55 8.53 8.29 1jv3A1 ASN 46 HA 0.12 0.05 0.47 -0.75 4.76 4.65 1jv3A1 ASN 46 HB2 0.08 0.07 0.28 -0.04 2.88 3.26 1jv3A1 ASN 46 HB3 0.09 -0.05 0.05 -0.04 2.79 2.85 1jv3A1 ASN 46 HD21 0.03 0.33 0.18 -0.04 7.03 7.53 1jv3A1 ASN 46 HD22 0.05 -0.11 0.08 -0.04 7.74 7.72 1jv3A1 PHE 47 H 0.14 0.58 -0.06 -0.55 8.34 8.46 1jv3A1 PHE 47 HA 0.04 -0.00 0.41 -0.75 4.62 4.31 1jv3A1 PHE 47 HB2 -0.06 -0.00 0.13 -0.04 3.15 3.17 1jv3A1 PHE 47 HB3 -0.22 0.13 0.21 -0.04 3.06 3.14 1jv3A1 PHE 47 HD2 -0.00 0.01 -0.03 -0.04 7.28 7.22 1jv3A1 PHE 47 HE2 0.10 0.02 -0.02 -0.04 7.38 7.45 1jv3A1 PHE 47 HZ 0.06 0.03 -0.01 -0.04 7.32 7.35 1jv3A1 PHE 48 H 0.09 0.59 -0.14 -0.55 8.34 8.33 1jv3A1 PHE 48 HA -0.02 0.00 0.38 -0.75 4.62 4.24 1jv3A1 PHE 48 HB2 0.06 0.13 0.17 -0.04 3.15 3.47 1jv3A1 PHE 48 HB3 -0.06 -0.08 -0.03 -0.04 3.06 2.85 1jv3A1 PHE 48 HD2 0.16 -0.02 -0.04 -0.04 7.28 7.34 1jv3A1 PHE 48 HE2 0.20 -0.00 -0.03 -0.04 7.38 7.50 1jv3A1 PHE 48 HZ 0.14 -0.02 -0.03 -0.04 7.32 7.37 1jv3A1 PHE 49 H 0.28 0.58 -0.14 -0.55 8.34 8.51 1jv3A1 PHE 49 HA 0.00 -0.03 0.41 -0.75 4.62 4.25 1jv3A1 PHE 49 HB2 0.02 0.00 0.09 -0.04 3.15 3.23 1jv3A1 PHE 49 HB3 0.02 0.15 0.16 -0.04 3.06 3.35 1jv3A1 PHE 49 HD2 -0.02 0.01 -0.13 -0.04 7.28 7.11 1jv3A1 PHE 49 HE2 -0.03 0.01 -0.16 -0.04 7.38 7.16 1jv3A1 PHE 49 HZ -0.02 0.18 -0.17 -0.04 7.32 7.27 1jv3A1 GLN 50 H 0.05 0.57 -0.20 -0.55 8.47 8.35 1jv3A1 GLN 50 HA -0.13 0.01 0.44 -0.75 4.36 3.93 1jv3A1 GLN 50 HB2 -0.13 0.10 0.18 -0.04 2.15 2.25 1jv3A1 GLN 50 HB3 -0.05 -0.06 0.04 -0.04 2.02 1.91 1jv3A1 GLN 50 HG2 0.12 -0.05 0.01 -0.04 2.40 2.44 1jv3A1 GLN 50 HG3 0.13 0.46 0.09 -0.04 2.39 3.04 1jv3A1 GLN 50 HE21 0.07 -0.04 -0.02 -0.04 6.97 6.93 1jv3A1 GLN 50 HE22 0.09 0.01 -0.02 -0.04 7.69 7.73 1jv3A1 LYS 51 H -0.25 0.51 -0.05 -0.55 8.42 8.08 1jv3A1 LYS 51 HA -0.15 0.01 0.37 -0.75 4.32 3.79 1jv3A1 LYS 51 HB2 -0.13 0.08 0.15 -0.04 1.87 1.93 1jv3A1 LYS 51 HB3 -0.11 -0.03 0.00 -0.04 1.79 1.62 1jv3A1 LYS 51 HG2 -0.75 0.08 0.08 -0.04 1.46 0.82 1jv3A1 LYS 51 HG3 -0.36 -0.01 0.01 -0.04 1.46 1.06 1jv3A1 LYS 51 HD2 -0.09 0.01 0.01 -0.04 1.69 1.58 1jv3A1 LYS 51 HD3 -0.15 -0.02 0.00 -0.04 1.68 1.46 1jv3A1 LYS 51 HE2 -0.20 -0.01 -0.01 -0.04 2.99 2.73 1jv3A1 LYS 51 HE3 0.07 0.02 -0.01 -0.04 2.99 3.03 1jv3A1 ALA 52 H -0.14 0.47 -0.27 -0.55 8.40 7.92 1jv3A1 ALA 52 HA -0.05 0.04 0.38 -0.75 4.34 3.96 1jv3A1 ALA 52 HB3 -0.14 0.01 0.03 -0.04 1.41 1.26 1jv3A1 ILE 53 H -0.48 0.63 -0.06 -0.55 8.25 7.79 1jv3A1 ILE 53 HA -0.43 -0.00 0.33 -0.75 4.18 3.32 1jv3A1 ILE 53 HB -0.43 0.09 0.12 -0.04 1.89 1.62 1jv3A1 ILE 53 HG12 -1.42 0.08 0.04 -0.04 1.49 0.15 1jv3A1 ILE 53 HG13 -0.76 -0.00 -0.03 -0.04 1.21 0.38 1jv3A1 ILE 53 HG23 -0.21 -0.02 -0.13 -0.04 0.93 0.53 1jv3A1 ILE 53 HD13 -0.42 -0.03 -0.06 -0.04 0.88 0.33 1jv3A1 GLU 54 H -0.15 0.58 -0.25 -0.55 8.60 8.23 1jv3A1 GLU 54 HA -0.04 -0.02 0.41 -0.75 4.29 3.88 1jv3A1 GLU 54 HB2 -0.08 0.10 0.15 -0.04 2.09 2.21 1jv3A1 GLU 54 HB3 -0.04 -0.08 0.02 -0.04 1.99 1.85 1jv3A1 GLU 54 HG2 -0.04 -0.07 0.05 -0.04 2.34 2.25 1jv3A1 GLU 54 HG3 -0.07 0.05 0.04 -0.04 2.34 2.31 1jv3A1 GLY 55 H 0.01 0.39 -0.68 -0.55 8.43 7.60 1jv3A1 GLY 55 HA2 -0.01 0.00 0.58 -0.51 4.01 4.08 1jv3A1 GLY 55 HA3 -0.00 -0.02 0.39 -0.51 4.01 3.87 1jv3A1 PHE 56 H 0.12 0.46 -0.56 -0.55 8.34 7.81 1jv3A1 PHE 56 HA -0.06 0.14 0.62 -0.75 4.62 4.57 1jv3A1 PHE 56 HB2 -0.08 0.34 -0.01 -0.04 3.15 3.37 1jv3A1 PHE 56 HB3 -0.06 -0.10 0.05 -0.04 3.06 2.91 1jv3A1 PHE 56 HD2 -0.08 0.08 -0.24 -0.04 7.28 7.00 1jv3A1 PHE 56 HE2 -0.05 -0.07 -0.08 -0.04 7.38 7.14 1jv3A1 PHE 56 HZ 0.00 -0.09 -0.13 -0.04 7.32 7.07 1jv3A1 ARG 68 HA -0.02 -0.06 0.16 -0.75 4.34 3.67 1jv3A1 ARG 68 HB2 0.02 0.00 0.01 -0.04 1.90 1.89 1jv3A1 ARG 68 HB3 0.02 -0.03 0.10 -0.04 1.80 1.85 1jv3A1 ARG 68 HG2 -0.00 0.00 0.04 -0.04 1.67 1.67 1jv3A1 ARG 68 HG3 0.01 -0.01 0.03 -0.04 1.67 1.66 1jv3A1 ARG 68 HD2 -0.03 0.02 0.06 -0.04 3.22 3.23 1jv3A1 ARG 68 HD3 -0.02 0.01 0.03 -0.04 3.22 3.20 1jv3A1 MET 69 H -0.02 0.02 0.09 -0.55 8.47 8.01 1jv3A1 MET 69 HA 0.01 0.20 0.56 -0.75 4.52 4.54 1jv3A1 MET 69 HB2 -0.23 -0.04 0.02 -0.04 2.15 1.86 1jv3A1 MET 69 HB3 -0.20 0.01 -0.06 -0.04 2.03 1.75 1jv3A1 MET 69 HG2 -0.15 0.03 -0.11 -0.04 2.63 2.35 1jv3A1 MET 69 HG3 -0.12 -0.06 -0.00 -0.04 2.56 2.34 1jv3A1 MET 69 HE3 -0.76 0.01 -0.12 -0.04 2.10 1.19 1jv3A1 GLU 70 H 0.15 0.47 0.36 -0.55 8.60 9.03 1jv3A1 GLU 70 HA 0.17 0.13 0.75 -0.75 4.29 4.59 1jv3A1 GLU 70 HB2 0.05 -0.03 0.03 -0.04 2.09 2.10 1jv3A1 GLU 70 HB3 0.04 -0.01 0.08 -0.04 1.99 2.06 1jv3A1 GLU 70 HG2 0.05 0.06 -0.17 -0.04 2.34 2.24 1jv3A1 GLU 70 HG3 0.04 0.11 -0.29 -0.04 2.34 2.16 1jv3A1 PRO 71 HA 0.12 0.05 0.50 -0.51 4.44 4.61 1jv3A1 PRO 71 HB2 -0.04 0.02 -0.03 -0.04 2.28 2.18 1jv3A1 PRO 71 HB3 -0.09 0.05 0.16 -0.04 2.02 2.10 1jv3A1 PRO 71 HG2 -0.24 -0.01 0.06 -0.04 2.03 1.80 1jv3A1 PRO 71 HG3 -0.65 0.09 -0.03 -0.04 2.03 1.40 1jv3A1 PRO 71 HD2 -0.05 0.08 0.15 -0.04 3.68 3.82 1jv3A1 PRO 71 HD3 -0.12 0.14 0.15 -0.04 3.65 3.79 1jv3A1 VAL 72 H 0.14 0.08 0.10 -0.55 8.24 8.01 1jv3A1 VAL 72 HA 0.28 0.13 0.41 -0.75 4.13 4.20 1jv3A1 VAL 72 HB 0.29 0.07 -0.05 -0.04 2.12 2.38 1jv3A1 VAL 72 HG13 0.35 0.01 -0.19 -0.04 0.97 1.09 1jv3A1 VAL 72 HG23 0.10 -0.01 -0.19 -0.04 0.95 0.81 1jv3A1 PRO 73 HA 0.07 0.09 0.45 -0.51 4.44 4.54 1jv3A1 PRO 73 HB2 0.08 -0.10 0.04 -0.04 2.28 2.26 1jv3A1 PRO 73 HB3 0.08 0.10 0.09 -0.04 2.02 2.25 1jv3A1 PRO 73 HG2 0.18 -0.08 0.03 -0.04 2.03 2.12 1jv3A1 PRO 73 HG3 0.20 0.12 0.04 -0.04 2.03 2.35 1jv3A1 PRO 73 HD2 0.46 0.08 0.14 -0.04 3.68 4.32 1jv3A1 PRO 73 HD3 0.19 0.21 0.13 -0.04 3.65 4.14 1jv3A1 ARG 74 H 0.04 0.16 0.16 -0.55 8.46 8.28 1jv3A1 ARG 74 HA 0.04 0.10 0.39 -0.75 4.34 4.12 1jv3A1 GLU 75 H 0.06 0.02 -0.33 -0.55 8.60 7.80 1jv3A1 GLU 75 HA 0.05 0.09 0.34 -0.75 4.29 4.01 1jv3A1 GLU 75 HB2 0.06 -0.00 -0.03 -0.04 2.09 2.08 1jv3A1 GLU 75 HB3 0.04 0.07 0.03 -0.04 1.99 2.10 1jv3A1 GLU 75 HG2 0.04 0.05 0.01 -0.04 2.34 2.40 1jv3A1 GLU 75 HG3 0.04 0.02 0.01 -0.04 2.34 2.37 1jv3A1 VAL 76 H 0.06 0.40 -0.41 -0.55 8.24 7.75 1jv3A1 VAL 76 HA -0.00 0.29 1.05 -0.75 4.13 4.72 1jv3A1 VAL 76 HB -0.14 0.09 0.28 -0.04 2.12 2.31 1jv3A1 VAL 76 HG13 0.06 -0.01 -0.09 -0.04 0.97 0.88 1jv3A1 VAL 76 HG23 -0.04 0.02 -0.13 -0.04 0.95 0.75 1jv3A1 LEU 77 H 0.06 0.40 -0.22 -0.55 8.37 8.06 1jv3A1 LEU 77 HA 0.03 0.27 1.19 -0.75 4.35 5.08 1jv3A1 LEU 77 HB2 0.02 -0.02 -0.12 -0.04 1.64 1.48 1jv3A1 LEU 77 HB3 0.03 -0.00 0.10 -0.04 1.64 1.72 1jv3A1 LEU 77 HG -0.06 0.11 -0.18 -0.04 1.64 1.46 1jv3A1 LEU 77 HD13 -0.01 -0.03 -0.14 -0.04 0.93 0.71 1jv3A1 LEU 77 HD23 -0.03 -0.04 -0.26 -0.04 0.89 0.53 1jv3A1 GLY 78 H -0.07 0.79 0.42 -0.55 8.43 9.03 1jv3A1 GLY 78 HA2 0.13 0.15 0.77 -0.51 4.01 4.54 1jv3A1 GLY 78 HA3 -0.38 0.03 0.30 -0.51 4.01 3.44 1jv3A1 SER 79 H 0.11 0.23 0.13 -0.55 8.46 8.38 1jv3A1 SER 79 HA -0.32 0.25 1.07 -0.75 4.49 4.74 1jv3A1 SER 79 HB2 -0.07 0.16 -0.13 -0.04 3.95 3.88 1jv3A1 SER 79 HB3 -0.00 -0.04 0.10 -0.04 3.93 3.94 1jv3A1 ALA 80 H -0.41 0.75 0.26 -0.55 8.40 8.46 1jv3A1 ALA 80 HA 0.11 0.09 0.31 -0.75 4.34 4.10 1jv3A1 ALA 80 HB3 -0.10 -0.01 0.11 -0.04 1.41 1.36 1jv3A1 THR 81 H -0.07 0.02 -0.24 -0.55 8.28 7.44 1jv3A1 THR 81 HA -0.00 0.20 0.60 -0.75 4.39 4.43 1jv3A1 THR 81 HB -0.03 -0.10 0.10 -0.04 4.32 4.25 1jv3A1 THR 81 HG23 -0.01 0.03 -0.10 -0.04 1.22 1.10 1jv3A1 ARG 82 H -0.02 0.03 -0.03 -0.55 8.46 7.90 1jv3A1 ARG 82 HA 0.00 0.11 0.41 -0.75 4.34 4.11 1jv3A1 ARG 82 HB2 0.01 -0.04 0.09 -0.04 1.90 1.91 1jv3A1 ARG 82 HB3 0.02 0.07 0.02 -0.04 1.80 1.86 1jv3A1 ARG 82 HG2 -0.00 0.05 0.03 -0.04 1.67 1.71 1jv3A1 ARG 82 HG3 -0.01 -0.09 0.04 -0.04 1.67 1.57 1jv3A1 ARG 82 HD2 0.00 0.05 -0.00 -0.04 3.22 3.23 1jv3A1 ARG 82 HD3 -0.01 0.03 -0.00 -0.04 3.22 3.20 1jv3A1 ASP 83 H 0.06 0.43 -0.26 -0.55 8.40 8.08 1jv3A1 ASP 83 HA 0.02 0.16 0.78 -0.75 4.63 4.84 1jv3A1 ASP 83 HB2 0.36 0.14 0.14 -0.04 2.71 3.31 1jv3A1 ASP 83 HB3 0.12 -0.04 0.17 -0.04 2.70 2.91 1jv3A1 GLN 84 H -0.01 0.42 -0.56 -0.55 8.47 7.77 1jv3A1 GLN 84 HA -0.02 0.10 0.44 -0.75 4.36 4.12 1jv3A1 GLN 84 HB2 -0.01 0.23 0.21 -0.04 2.15 2.54 1jv3A1 GLN 84 HB3 -0.03 -0.02 0.10 -0.04 2.02 2.03 1jv3A1 GLN 84 HG2 -0.04 -0.06 -0.10 -0.04 2.40 2.16 1jv3A1 GLN 84 HG3 -0.01 -0.01 0.12 -0.04 2.39 2.45 1jv3A1 GLN 84 HE21 -0.01 0.01 0.01 -0.04 6.97 6.94 1jv3A1 GLN 84 HE22 -0.01 -0.03 0.01 -0.04 7.69 7.61 1jv3A1 ASP 85 H -0.08 0.15 -0.27 -0.55 8.40 7.66 1jv3A1 ASP 85 HA -0.10 0.08 0.41 -0.75 4.63 4.26 1jv3A1 ASP 85 HB2 -0.10 0.02 0.07 -0.04 2.71 2.66 1jv3A1 ASP 85 HB3 -0.07 0.02 0.09 -0.04 2.70 2.70 1jv3A1 GLN 86 H -0.36 0.50 -0.47 -0.55 8.47 7.60 1jv3A1 GLN 86 HA -0.48 0.21 1.02 -0.75 4.36 4.35 1jv3A1 GLN 86 HB2 -0.99 0.09 0.06 -0.04 2.15 1.27 1jv3A1 GLN 86 HB3 -2.34 -0.05 0.06 -0.04 2.02 -0.35 1jv3A1 GLN 86 HG2 -0.39 0.01 0.02 -0.04 2.40 2.00 1jv3A1 GLN 86 HG3 -0.27 -0.02 -0.13 -0.04 2.39 1.93 1jv3A1 GLN 86 HE21 0.25 0.07 -0.03 -0.04 6.97 7.21 1jv3A1 GLN 86 HE22 -0.11 -0.03 -0.01 -0.04 7.69 7.50 1jv3A1 LEU 87 H -0.27 0.48 -0.08 -0.55 8.37 7.96 1jv3A1 LEU 87 HA 0.07 0.02 0.32 -0.75 4.35 4.00 1jv3A1 LEU 87 HB2 -0.03 0.13 0.18 -0.04 1.64 1.89 1jv3A1 LEU 87 HB3 0.08 -0.04 0.01 -0.04 1.64 1.64 1jv3A1 LEU 87 HG 0.04 0.10 0.11 -0.04 1.64 1.85 1jv3A1 LEU 87 HD13 0.07 0.04 0.10 -0.04 0.93 1.09 1jv3A1 LEU 87 HD23 0.43 -0.05 -0.02 -0.04 0.89 1.21 1jv3A1 GLN 88 H -0.12 0.22 -0.18 -0.55 8.47 7.85 1jv3A1 GLN 88 HA -0.01 0.05 0.36 -0.75 4.36 4.00 1jv3A1 GLN 88 HB2 -0.06 0.03 0.08 -0.04 2.15 2.16 1jv3A1 GLN 88 HB3 -0.10 0.03 0.04 -0.04 2.02 1.94 1jv3A1 GLN 88 HG2 -0.07 0.04 -0.04 -0.04 2.40 2.29 1jv3A1 GLN 88 HG3 -0.05 0.00 -0.24 -0.04 2.39 2.06 1jv3A1 GLN 88 HE21 -0.03 0.03 0.00 -0.04 6.97 6.92 1jv3A1 GLN 88 HE22 -0.03 -0.03 0.02 -0.04 7.69 7.61 1jv3A1 ALA 89 H -0.20 0.16 -0.27 -0.55 8.40 7.55 1jv3A1 ALA 89 HA -0.03 0.06 0.43 -0.75 4.34 4.04 1jv3A1 ALA 89 HB3 -0.18 0.04 0.09 -0.04 1.41 1.31 1jv3A1 TRP 90 H -0.13 0.53 -0.11 -0.55 7.97 7.71 1jv3A1 TRP 90 HA 0.01 0.07 0.33 -0.75 4.62 4.27 1jv3A1 TRP 90 HB2 0.06 0.02 0.10 -0.04 3.23 3.37 1jv3A1 TRP 90 HB3 0.02 0.01 0.00 -0.04 3.23 3.22 1jv3A1 TRP 90 HD1 0.01 0.02 -0.20 -0.04 7.22 7.01 1jv3A1 TRP 90 HE1 0.04 0.04 -0.06 -0.04 10.20 10.18 1jv3A1 TRP 90 HE3 0.19 -0.04 -0.16 -0.04 7.59 7.54 1jv3A1 TRP 90 HZ2 0.22 0.04 -0.05 -0.04 7.44 7.62 1jv3A1 TRP 90 HZ3 0.21 -0.03 -0.23 -0.04 7.13 7.04 1jv3A1 TRP 90 HH2 0.18 -0.08 -0.02 -0.04 7.19 7.23 1jv3A1 GLU 91 H 0.18 0.70 -0.14 -0.55 8.60 8.80 1jv3A1 GLU 91 HA 0.14 -0.07 0.13 -0.75 4.29 3.74 1jv3A1 GLU 91 HB2 0.13 -0.02 0.04 -0.04 2.09 2.19 1jv3A1 GLU 91 HB3 0.09 0.13 0.11 -0.04 1.99 2.27 1jv3A1 GLU 91 HG2 0.10 0.05 -0.21 -0.04 2.34 2.25 1jv3A1 GLU 91 HG3 0.09 -0.11 -0.03 -0.04 2.34 2.26 1jv3A1 SER 92 H 0.09 0.58 -0.13 -0.55 8.46 8.45 1jv3A1 SER 92 HA 0.15 0.01 0.38 -0.75 4.49 4.28 1jv3A1 SER 92 HB2 0.05 0.11 0.16 -0.04 3.95 4.23 1jv3A1 SER 92 HB3 0.07 -0.02 0.01 -0.04 3.93 3.95 1jv3A1 GLU 93 H 0.14 0.50 -0.19 -0.55 8.60 8.50 1jv3A1 GLU 93 HA 0.16 0.03 0.42 -0.75 4.29 4.14 1jv3A1 GLU 93 HB2 0.12 0.05 0.13 -0.04 2.09 2.35 1jv3A1 GLU 93 HB3 0.13 0.06 0.20 -0.04 1.99 2.34 1jv3A1 GLU 93 HG2 0.06 0.02 0.02 -0.04 2.34 2.40 1jv3A1 GLU 93 HG3 0.10 -0.04 -0.17 -0.04 2.34 2.18 1jv3A1 GLY 94 H 0.12 0.59 -0.11 -0.55 8.43 8.48 1jv3A1 GLY 94 HA2 0.06 -0.03 0.32 -0.51 4.01 3.85 1jv3A1 GLY 94 HA3 0.06 0.09 0.41 -0.51 4.01 4.07 1jv3A1 LEU 95 H 0.13 0.72 -0.03 -0.55 8.37 8.64 1jv3A1 LEU 95 HA 0.05 0.01 0.43 -0.75 4.35 4.09 1jv3A1 LEU 95 HB2 0.27 0.09 0.12 -0.04 1.64 2.08 1jv3A1 LEU 95 HB3 0.33 0.01 -0.02 -0.04 1.64 1.92 1jv3A1 LEU 95 HG 0.09 -0.01 0.03 -0.04 1.64 1.71 1jv3A1 LEU 95 HD13 0.24 -0.01 -0.09 -0.04 0.93 1.03 1jv3A1 LEU 95 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 1jv3A1 PHE 96 H 0.22 0.56 -0.26 -0.55 8.34 8.30 1jv3A1 PHE 96 HA -0.73 0.04 0.41 -0.75 4.62 3.59 1jv3A1 PHE 96 HB2 0.03 0.03 0.12 -0.04 3.15 3.29 1jv3A1 PHE 96 HB3 -0.03 0.13 0.21 -0.04 3.06 3.33 1jv3A1 PHE 96 HD2 -0.24 0.02 -0.01 -0.04 7.28 7.00 1jv3A1 PHE 96 HE2 -0.04 -0.00 -0.03 -0.04 7.38 7.26 1jv3A1 PHE 96 HZ -0.03 -0.01 -0.03 -0.04 7.32 7.20 1jv3A1 GLN 97 H 0.04 0.62 -0.06 -0.55 8.47 8.52 1jv3A1 GLN 97 HA -0.30 0.02 0.35 -0.75 4.36 3.68 1jv3A1 GLN 97 HB2 0.03 0.12 0.07 -0.04 2.15 2.33 1jv3A1 GLN 97 HB3 0.04 -0.08 -0.10 -0.04 2.02 1.84 1jv3A1 GLN 97 HG2 0.11 0.25 0.04 -0.04 2.40 2.76 1jv3A1 GLN 97 HG3 0.12 -0.07 -0.08 -0.04 2.39 2.32 1jv3A1 GLN 97 HE21 0.07 -0.01 -0.03 -0.04 6.97 6.96 1jv3A1 GLN 97 HE22 0.21 0.02 -0.02 -0.04 7.69 7.86 1jv3A1 ILE 98 H -0.06 0.48 -0.34 -0.55 8.25 7.77 1jv3A1 ILE 98 HA -0.03 -0.04 0.44 -0.75 4.18 3.79 1jv3A1 ILE 98 HB -0.03 0.14 0.17 -0.04 1.89 2.13 1jv3A1 ILE 98 HG12 0.01 -0.05 -0.04 -0.04 1.49 1.36 1jv3A1 ILE 98 HG13 0.01 0.06 -0.00 -0.04 1.21 1.23 1jv3A1 ILE 98 HG23 -0.03 -0.01 -0.25 -0.04 0.93 0.60 1jv3A1 ILE 98 HD13 -0.03 -0.00 -0.08 -0.04 0.88 0.73 1jv3A1 SER 99 H -0.23 0.63 -0.04 -0.55 8.46 8.28 1jv3A1 SER 99 HA -0.09 0.01 0.34 -0.75 4.49 3.99 1jv3A1 SER 99 HB2 -0.15 -0.04 0.03 -0.04 3.95 3.75 1jv3A1 SER 99 HB3 -0.27 0.02 0.09 -0.04 3.93 3.72 1jv3A1 GLN 100 H -0.35 0.31 -0.53 -0.55 8.47 7.36 1jv3A1 GLN 100 HA -0.20 0.11 0.67 -0.75 4.36 4.18 1jv3A1 GLN 100 HB2 -0.38 0.05 0.11 -0.04 2.15 1.90 1jv3A1 GLN 100 HB3 -0.24 -0.04 0.15 -0.04 2.02 1.85 1jv3A1 GLN 100 HG2 -0.98 0.10 -0.05 -0.04 2.40 1.43 1jv3A1 GLN 100 HG3 -1.08 -0.09 -0.04 -0.04 2.39 1.14 1jv3A1 GLN 100 HE21 -0.06 -0.05 0.02 -0.04 6.97 6.85 1jv3A1 GLN 100 HE22 -0.16 0.00 0.04 -0.04 7.69 7.52 1jv3A1 ASN 101 H -0.10 0.46 -0.38 -0.55 8.53 7.97 1jv3A1 ASN 101 HA -0.02 0.16 0.47 -0.75 4.76 4.62 1jv3A1 ASN 101 HB2 -0.02 0.25 0.08 -0.04 2.88 3.15 1jv3A1 ASN 101 HB3 0.00 -0.03 0.28 -0.04 2.79 3.00 1jv3A1 ASN 101 HD21 -0.01 0.03 0.03 -0.04 7.03 7.04 1jv3A1 ASN 101 HD22 -0.02 0.03 -0.06 -0.04 7.74 7.65 1jv3A1 LYS 102 H -0.05 0.46 -0.10 -0.55 8.42 8.17 1jv3A1 LYS 102 HA 0.07 0.32 0.84 -0.75 4.32 4.80 1jv3A1 LYS 102 HB2 0.02 0.00 0.10 -0.04 1.87 1.94 1jv3A1 LYS 102 HB3 0.15 -0.19 0.25 -0.04 1.79 1.96 1jv3A1 LYS 102 HG2 -0.09 0.10 -0.19 -0.04 1.46 1.23 1jv3A1 LYS 102 HG3 -0.08 -0.11 0.03 -0.04 1.46 1.25 1jv3A1 LYS 102 HD2 0.03 0.27 -0.06 -0.04 1.69 1.89 1jv3A1 LYS 102 HD3 -0.02 -0.02 0.01 -0.04 1.68 1.60 1jv3A1 LYS 102 HE2 -0.02 -0.13 0.03 -0.04 2.99 2.84 1jv3A1 LYS 102 HE3 0.16 -0.16 0.08 -0.04 2.99 3.02 1jv3A1 VAL 103 H 0.04 0.25 -0.17 -0.55 8.24 7.81 1jv3A1 VAL 103 HA 0.10 0.21 1.25 -0.75 4.13 4.94 1jv3A1 VAL 103 HB 0.05 0.02 0.02 -0.04 2.12 2.17 1jv3A1 VAL 103 HG13 0.10 -0.02 -0.22 -0.04 0.97 0.79 1jv3A1 VAL 103 HG23 0.08 -0.00 -0.34 -0.04 0.95 0.65 1jv3A1 ALA 104 H 0.11 0.67 0.41 -0.55 8.40 9.04 1jv3A1 ALA 104 HA 0.16 0.24 0.94 -0.75 4.34 4.93 1jv3A1 ALA 104 HB3 0.27 -0.00 -0.03 -0.04 1.41 1.61 1jv3A1 VAL 105 H 0.27 0.72 0.35 -0.55 8.24 9.03 1jv3A1 VAL 105 HA 0.27 0.08 1.12 -0.75 4.13 4.84 1jv3A1 VAL 105 HB 0.34 -0.01 0.13 -0.04 2.12 2.53 1jv3A1 VAL 105 HG13 0.18 -0.01 -0.12 -0.04 0.97 0.98 1jv3A1 VAL 105 HG23 0.11 0.03 -0.04 -0.04 0.95 1.01 1jv3A1 LEU 106 H 0.25 0.74 0.28 -0.55 8.37 9.10 1jv3A1 LEU 106 HA 0.37 0.35 0.92 -0.75 4.35 5.23 1jv3A1 LEU 106 HB2 0.18 0.03 -0.24 -0.04 1.64 1.57 1jv3A1 LEU 106 HB3 0.17 -0.10 0.01 -0.04 1.64 1.69 1jv3A1 LEU 106 HG 0.36 0.04 -0.12 -0.04 1.64 1.88 1jv3A1 LEU 106 HD13 0.07 -0.01 -0.16 -0.04 0.93 0.79 1jv3A1 LEU 106 HD23 0.17 -0.01 -0.39 -0.04 0.89 0.62 1jv3A1 LEU 107 H 0.20 0.77 0.31 -0.55 8.37 9.11 1jv3A1 LEU 107 HA -0.55 0.18 0.90 -0.75 4.35 4.14 1jv3A1 LEU 107 HB2 0.18 0.05 -0.01 -0.04 1.64 1.82 1jv3A1 LEU 107 HB3 0.12 0.03 0.16 -0.04 1.64 1.91 1jv3A1 LEU 107 HG 0.03 -0.12 -0.48 -0.04 1.64 1.03 1jv3A1 LEU 107 HD13 -0.28 0.01 -0.11 -0.04 0.93 0.50 1jv3A1 LEU 107 HD23 0.53 -0.00 -0.10 -0.04 0.89 1.28 1jv3A1 LEU 108 H -0.22 0.68 0.39 -0.55 8.37 8.68 1jv3A1 LEU 108 HA -0.07 0.11 0.88 -0.75 4.35 4.51 1jv3A1 LEU 108 HB2 -0.05 -0.07 0.32 -0.04 1.64 1.80 1jv3A1 LEU 108 HB3 -0.04 -0.10 0.13 -0.04 1.64 1.59 1jv3A1 LEU 108 HG -0.05 0.15 0.06 -0.04 1.64 1.76 1jv3A1 LEU 108 HD13 0.02 -0.03 -0.06 -0.04 0.93 0.82 1jv3A1 LEU 108 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.82 1jv3A1 ALA 109 H -0.06 0.69 0.24 -0.55 8.40 8.72 1jv3A1 ALA 109 HA 0.00 0.06 0.89 -0.75 4.34 4.54 1jv3A1 ALA 109 HB3 0.13 0.01 0.01 -0.04 1.41 1.52 1jv3A1 GLY 110 H -0.04 0.06 -0.05 -0.55 8.43 7.85 1jv3A1 GLY 110 HA2 -0.03 0.01 0.69 -0.51 4.01 4.16 1jv3A1 GLY 110 HA3 -0.05 0.04 0.07 -0.51 4.01 3.56 1jv3A1 GLY 111 H -0.01 0.01 -0.11 -0.55 8.43 7.76 1jv3A1 GLY 111 HA2 -0.00 0.01 0.40 -0.51 4.01 3.91 1jv3A1 GLY 111 HA3 -0.01 0.05 0.29 -0.51 4.01 3.82 1jv3A1 GLN 112 H -0.00 0.09 0.12 -0.55 8.47 8.13 1jv3A1 GLN 112 HA -0.01 0.19 0.71 -0.75 4.36 4.49 1jv3A1 GLN 112 HB2 -0.00 -0.03 0.19 -0.04 2.15 2.26 1jv3A1 GLN 112 HB3 -0.00 -0.02 -0.02 -0.04 2.02 1.95 1jv3A1 GLN 112 HG2 0.00 -0.02 0.12 -0.04 2.40 2.46 1jv3A1 GLN 112 HG3 0.00 0.10 -0.01 -0.04 2.39 2.45 1jv3A1 GLN 112 HE21 0.01 0.15 0.13 -0.04 6.97 7.22 1jv3A1 GLN 112 HE22 0.01 0.02 0.09 -0.04 7.69 7.76 1jv3A1 GLY 113 H -0.01 0.13 0.12 -0.55 8.43 8.12 1jv3A1 GLY 113 HA2 -0.01 0.06 0.35 -0.51 4.01 3.90 1jv3A1 GLY 113 HA3 -0.00 0.06 0.37 -0.51 4.01 3.92 1jv3A1 THR 114 H -0.04 0.14 -0.03 -0.55 8.28 7.80 1jv3A1 THR 114 HA -0.05 0.07 0.37 -0.75 4.39 4.03 1jv3A1 THR 114 HB -0.08 0.37 0.25 -0.04 4.32 4.81 1jv3A1 THR 114 HG23 -0.11 -0.08 -0.12 -0.04 1.22 0.87 1jv3A1 ARG 115 H -0.05 0.25 0.31 -0.55 8.46 8.42 1jv3A1 ARG 115 HA -0.03 0.14 0.59 -0.75 4.34 4.29 1jv3A1 ARG 115 HB2 -0.02 0.08 0.18 -0.04 1.90 2.10 1jv3A1 ARG 115 HB3 -0.04 0.06 0.20 -0.04 1.80 1.97 1jv3A1 ARG 115 HG2 -0.04 -0.12 0.08 -0.04 1.67 1.55 1jv3A1 ARG 115 HG3 -0.02 -0.01 0.16 -0.04 1.67 1.77 1jv3A1 ARG 115 HD2 -0.01 -0.01 0.08 -0.04 3.22 3.24 1jv3A1 ARG 115 HD3 -0.02 0.12 0.13 -0.04 3.22 3.41 1jv3A1 LEU 116 H -0.07 0.00 -0.15 -0.55 8.37 7.60 1jv3A1 LEU 116 HA -0.08 0.07 0.38 -0.75 4.35 3.97 1jv3A1 LEU 116 HB2 -0.10 -0.04 -0.08 -0.04 1.64 1.38 1jv3A1 LEU 116 HB3 -0.14 0.02 0.02 -0.04 1.64 1.50 1jv3A1 LEU 116 HG -0.14 -0.03 -0.10 -0.04 1.64 1.33 1jv3A1 LEU 116 HD13 -0.37 0.01 -0.10 -0.04 0.93 0.44 1jv3A1 LEU 116 HD23 -0.21 -0.01 -0.46 -0.04 0.89 0.16 1jv3A1 GLY 117 H -0.05 0.23 -0.75 -0.55 8.43 7.31 1jv3A1 GLY 117 HA2 -0.03 0.09 0.21 -0.51 4.01 3.77 1jv3A1 GLY 117 HA3 -0.01 0.10 0.47 -0.51 4.01 4.05 1jv3A1 VAL 118 H -0.11 -0.01 -0.19 -0.55 8.24 7.38 1jv3A1 VAL 118 HA -0.12 0.27 0.91 -0.75 4.13 4.44 1jv3A1 VAL 118 HB -0.90 -0.13 0.09 -0.04 2.12 1.14 1jv3A1 VAL 118 HG13 -0.04 0.05 -0.21 -0.04 0.97 0.72 1jv3A1 VAL 118 HG23 -0.53 0.01 -0.21 -0.04 0.95 0.18 1jv3A1 ALA 119 H -0.16 0.13 0.14 -0.55 8.40 7.96 1jv3A1 ALA 119 HA -0.07 0.22 1.00 -0.75 4.34 4.74 1jv3A1 ALA 119 HB3 0.01 0.01 0.06 -0.04 1.41 1.46 1jv3A1 TYR 120 H -0.55 -0.02 -0.03 -0.55 8.29 7.14 1jv3A1 TYR 120 HA 0.01 0.22 0.78 -0.75 4.56 4.81 1jv3A1 TYR 120 HB2 -0.02 0.06 0.07 -0.04 3.06 3.13 1jv3A1 TYR 120 HB3 0.00 -0.00 0.03 -0.04 2.98 2.97 1jv3A1 TYR 120 HD2 -0.02 0.11 -0.19 -0.04 7.15 7.01 1jv3A1 TYR 120 HE2 -0.03 -0.00 -0.15 -0.04 6.85 6.63 1jv3A1 PRO 121 HA 0.03 0.15 0.51 -0.51 4.44 4.62 1jv3A1 PRO 121 HB2 0.08 -0.12 0.03 -0.04 2.28 2.24 1jv3A1 PRO 121 HB3 0.07 0.12 0.11 -0.04 2.02 2.29 1jv3A1 PRO 121 HG2 0.15 -0.03 0.05 -0.04 2.03 2.16 1jv3A1 PRO 121 HG3 0.14 0.10 0.09 -0.04 2.03 2.31 1jv3A1 PRO 121 HD2 0.16 0.08 0.21 -0.04 3.68 4.09 1jv3A1 PRO 121 HD3 0.09 0.22 0.18 -0.04 3.65 4.11 1jv3A1 LYS 122 H -0.02 0.23 0.13 -0.55 8.42 8.20 1jv3A1 LYS 122 HA 0.03 0.10 0.34 -0.75 4.32 4.04 1jv3A1 LYS 122 HB2 -0.07 -0.04 0.09 -0.04 1.87 1.81 1jv3A1 LYS 122 HB3 -0.09 0.05 -0.08 -0.04 1.79 1.63 1jv3A1 LYS 122 HG2 -0.10 0.00 0.02 -0.04 1.46 1.34 1jv3A1 LYS 122 HG3 -0.06 0.02 0.04 -0.04 1.46 1.42 1jv3A1 LYS 122 HD2 -0.06 -0.10 0.04 -0.04 1.69 1.53 1jv3A1 LYS 122 HD3 -0.11 0.11 0.06 -0.04 1.68 1.71 1jv3A1 LYS 122 HE2 -0.11 -0.04 -0.02 -0.04 2.99 2.78 1jv3A1 LYS 122 HE3 -0.06 -0.02 0.01 -0.04 2.99 2.88 1jv3A1 GLY 123 H -0.28 0.09 -0.24 -0.55 8.43 7.45 1jv3A1 GLY 123 HA2 -0.66 0.10 0.36 -0.51 4.01 3.31 1jv3A1 GLY 123 HA3 -2.06 0.06 0.25 -0.51 4.01 1.75 1jv3A1 MET 124 H -0.16 0.48 -0.53 -0.55 8.47 7.72 1jv3A1 MET 124 HA -0.37 0.06 0.66 -0.75 4.52 4.12 1jv3A1 MET 124 HB2 -0.11 0.15 -0.02 -0.04 2.15 2.13 1jv3A1 MET 124 HB3 -0.57 -0.00 0.10 -0.04 2.03 1.52 1jv3A1 MET 124 HG2 -1.85 0.02 -0.04 -0.04 2.63 0.71 1jv3A1 MET 124 HG3 -0.13 -0.11 -0.12 -0.04 2.56 2.15 1jv3A1 MET 124 HE3 0.16 -0.01 -0.20 -0.04 2.10 2.00 1jv3A1 TYR 125 H 0.07 0.59 -0.25 -0.55 8.29 8.15 1jv3A1 TYR 125 HA 0.15 0.08 0.53 -0.75 4.56 4.56 1jv3A1 TYR 125 HB2 0.03 -0.01 0.10 -0.04 3.06 3.14 1jv3A1 TYR 125 HB3 -0.03 -0.02 0.02 -0.04 2.98 2.91 1jv3A1 TYR 125 HD2 0.00 -0.06 -0.37 -0.04 7.15 6.68 1jv3A1 TYR 125 HE2 -0.02 0.03 -0.09 -0.04 6.85 6.73 1jv3A1 ASP 126 H -0.47 0.20 0.13 -0.55 8.40 7.72 1jv3A1 ASP 126 HA 0.02 0.21 0.68 -0.75 4.63 4.78 1jv3A1 ASP 126 HB2 -0.06 0.12 0.01 -0.04 2.71 2.74 1jv3A1 ASP 126 HB3 -0.16 -0.02 0.20 -0.04 2.70 2.68 1jv3A1 VAL 127 H 0.09 0.26 0.05 -0.55 8.24 8.10 1jv3A1 VAL 127 HA 0.28 0.11 0.45 -0.75 4.13 4.21 1jv3A1 VAL 127 HB 0.02 0.06 0.20 -0.04 2.12 2.36 1jv3A1 VAL 127 HG13 0.04 0.01 -0.05 -0.04 0.97 0.94 1jv3A1 VAL 127 HG23 -0.02 0.02 -0.11 -0.04 0.95 0.80 1jv3A1 GLY 128 H 0.01 0.01 -0.48 -0.55 8.43 7.43 1jv3A1 GLY 128 HA2 -0.01 0.07 0.21 -0.51 4.01 3.76 1jv3A1 GLY 128 HA3 -0.01 0.17 0.68 -0.51 4.01 4.34 1jv3A1 LEU 129 H -0.02 -0.06 -0.04 -0.55 8.37 7.70 1jv3A1 LEU 129 HA -0.08 0.23 0.49 -0.75 4.35 4.23 1jv3A1 LEU 129 HB2 -0.02 -0.12 0.04 -0.04 1.64 1.49 1jv3A1 LEU 129 HB3 -0.04 -0.01 0.04 -0.04 1.64 1.59 1jv3A1 LEU 129 HG -0.05 -0.07 -0.04 -0.04 1.64 1.44 1jv3A1 LEU 129 HD13 -0.05 0.03 -0.03 -0.04 0.93 0.84 1jv3A1 LEU 129 HD23 -0.14 0.03 0.03 -0.04 0.89 0.77 1jv3A1 PRO 130 HA -0.01 0.14 0.33 -0.51 4.44 4.38 1jv3A1 PRO 130 HB2 0.01 -0.01 -0.07 -0.04 2.28 2.16 1jv3A1 PRO 130 HB3 0.00 0.07 -0.03 -0.04 2.02 2.02 1jv3A1 PRO 130 HG2 -0.03 0.05 -0.14 -0.04 2.03 1.88 1jv3A1 PRO 130 HG3 -0.04 0.10 0.00 -0.04 2.03 2.04 1jv3A1 PRO 130 HD2 -0.05 0.04 0.11 -0.04 3.68 3.75 1jv3A1 PRO 130 HD3 -0.09 0.19 0.18 -0.04 3.65 3.89 1jv3A1 SER 131 H 0.00 0.06 -0.30 -0.55 8.46 7.67 1jv3A1 SER 131 HA 0.02 0.18 0.45 -0.75 4.49 4.39 1jv3A1 SER 131 HB2 0.04 0.04 0.03 -0.04 3.95 4.01 1jv3A1 SER 131 HB3 0.03 0.03 -0.02 -0.04 3.93 3.94 1jv3A1 ARG 132 H -0.00 0.28 -0.61 -0.55 8.46 7.58 1jv3A1 ARG 132 HA 0.00 -0.09 0.22 -0.75 4.34 3.72 1jv3A1 ARG 132 HB2 0.02 0.18 0.02 -0.04 1.90 2.08 1jv3A1 ARG 132 HB3 0.01 -0.09 0.11 -0.04 1.80 1.79 1jv3A1 ARG 132 HG2 -0.00 0.08 -0.15 -0.04 1.67 1.56 1jv3A1 ARG 132 HG3 0.01 0.11 -0.52 -0.04 1.67 1.23 1jv3A1 ARG 132 HD2 0.01 -0.01 -0.09 -0.04 3.22 3.09 1jv3A1 ARG 132 HD3 0.00 -0.07 -0.05 -0.04 3.22 3.06 1jv3A1 LYS 133 H 0.02 -0.07 -0.55 -0.55 8.42 7.26 1jv3A1 LYS 133 HA 0.05 0.09 0.36 -0.75 4.32 4.06 1jv3A1 LYS 133 HB2 0.02 -0.06 -0.02 -0.04 1.87 1.77 1jv3A1 LYS 133 HB3 0.01 0.02 -0.02 -0.04 1.79 1.76 1jv3A1 LYS 133 HG2 0.06 0.04 -0.02 -0.04 1.46 1.49 1jv3A1 LYS 133 HG3 0.04 0.03 -0.10 -0.04 1.46 1.39 1jv3A1 LYS 133 HD2 0.04 -0.02 -0.05 -0.04 1.69 1.61 1jv3A1 LYS 133 HD3 0.04 0.02 -0.09 -0.04 1.68 1.60 1jv3A1 LYS 133 HE2 0.07 0.05 -0.02 -0.04 2.99 3.04 1jv3A1 LYS 133 HE3 0.05 -0.00 -0.03 -0.04 2.99 2.97 1jv3A1 THR 134 H 0.06 0.05 0.17 -0.55 8.28 8.00 1jv3A1 THR 134 HA 0.02 0.32 0.59 -0.75 4.39 4.57 1jv3A1 THR 134 HB -0.02 0.14 0.14 -0.04 4.32 4.54 1jv3A1 THR 134 HG23 0.11 0.03 -0.10 -0.04 1.22 1.21 1jv3A1 LEU 135 H -0.04 0.39 0.20 -0.55 8.37 8.38 1jv3A1 LEU 135 HA -0.01 0.07 0.43 -0.75 4.35 4.09 1jv3A1 LEU 135 HB2 -0.19 -0.05 0.18 -0.04 1.64 1.54 1jv3A1 LEU 135 HB3 -0.03 0.11 0.04 -0.04 1.64 1.71 1jv3A1 LEU 135 HG -0.01 0.13 0.14 -0.04 1.64 1.86 1jv3A1 LEU 135 HD13 -0.07 0.03 -0.08 -0.04 0.93 0.77 1jv3A1 LEU 135 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.76 1jv3A1 PHE 136 H -0.08 0.60 0.03 -0.55 8.34 8.33 1jv3A1 PHE 136 HA 0.21 0.04 0.35 -0.75 4.62 4.46 1jv3A1 PHE 136 HB2 0.00 0.03 0.05 -0.04 3.15 3.19 1jv3A1 PHE 136 HB3 -0.27 0.03 -0.12 -0.04 3.06 2.66 1jv3A1 PHE 136 HD2 0.11 0.05 -0.14 -0.04 7.28 7.26 1jv3A1 PHE 136 HE2 0.11 0.01 -0.08 -0.04 7.38 7.37 1jv3A1 PHE 136 HZ 0.12 0.00 -0.03 -0.04 7.32 7.38 1jv3A1 GLN 137 H -0.15 0.09 -0.25 -0.55 8.47 7.62 1jv3A1 GLN 137 HA -1.02 0.08 0.39 -0.75 4.36 3.05 1jv3A1 GLN 137 HB2 -0.31 -0.00 0.09 -0.04 2.15 1.90 1jv3A1 GLN 137 HB3 -0.09 -0.02 0.12 -0.04 2.02 1.99 1jv3A1 GLN 137 HG2 -0.00 0.00 -0.20 -0.04 2.40 2.16 1jv3A1 GLN 137 HG3 0.07 0.04 0.07 -0.04 2.39 2.52 1jv3A1 GLN 137 HE21 0.13 0.04 -0.01 -0.04 6.97 7.09 1jv3A1 GLN 137 HE22 0.12 -0.00 -0.01 -0.04 7.69 7.76 1jv3A1 ILE 138 H -0.04 0.55 -0.16 -0.55 8.25 8.05 1jv3A1 ILE 138 HA -0.00 -0.01 0.43 -0.75 4.18 3.84 1jv3A1 ILE 138 HB 0.00 0.10 0.14 -0.04 1.89 2.09 1jv3A1 ILE 138 HG12 0.01 -0.06 0.01 -0.04 1.49 1.41 1jv3A1 ILE 138 HG13 -0.01 0.04 -0.07 -0.04 1.21 1.13 1jv3A1 ILE 138 HG23 0.00 0.02 -0.05 -0.04 0.93 0.86 1jv3A1 ILE 138 HD13 -0.02 -0.01 -0.07 -0.04 0.88 0.73 1jv3A1 GLN 139 H 0.05 0.54 -0.23 -0.55 8.47 8.29 1jv3A1 GLN 139 HA -0.05 0.06 0.43 -0.75 4.36 4.05 1jv3A1 GLN 139 HB2 0.35 0.12 0.15 -0.04 2.15 2.73 1jv3A1 GLN 139 HB3 0.07 -0.08 -0.05 -0.04 2.02 1.92 1jv3A1 GLN 139 HG2 0.12 -0.04 -0.01 -0.04 2.40 2.43 1jv3A1 GLN 139 HG3 0.12 0.09 0.03 -0.04 2.39 2.60 1jv3A1 GLN 139 HE21 0.19 -0.06 -0.01 -0.04 6.97 7.04 1jv3A1 GLN 139 HE22 0.15 0.05 -0.06 -0.04 7.69 7.80 1jv3A1 ALA 140 H -0.03 0.51 -0.08 -0.55 8.40 8.25 1jv3A1 ALA 140 HA -0.41 0.01 0.42 -0.75 4.34 3.60 1jv3A1 ALA 140 HB3 0.18 0.04 0.08 -0.04 1.41 1.67 1jv3A1 GLU 141 H -0.02 0.57 -0.17 -0.55 8.60 8.43 1jv3A1 GLU 141 HA 0.05 0.05 0.43 -0.75 4.29 4.07 1jv3A1 GLU 141 HB2 0.03 0.13 0.16 -0.04 2.09 2.37 1jv3A1 GLU 141 HB3 0.06 -0.17 0.08 -0.04 1.99 1.91 1jv3A1 GLU 141 HG2 0.09 0.04 0.05 -0.04 2.34 2.48 1jv3A1 GLU 141 HG3 0.04 0.25 0.12 -0.04 2.34 2.71 1jv3A1 ARG 142 H -0.02 0.42 -0.26 -0.55 8.46 8.04 1jv3A1 ARG 142 HA 0.17 0.04 0.52 -0.75 4.34 4.32 1jv3A1 ARG 142 HB2 -0.01 0.10 0.20 -0.04 1.90 2.15 1jv3A1 ARG 142 HB3 0.26 -0.02 0.05 -0.04 1.80 2.06 1jv3A1 ARG 142 HG2 -0.00 -0.02 0.11 -0.04 1.67 1.71 1jv3A1 ARG 142 HG3 0.02 0.12 0.13 -0.04 1.67 1.89 1jv3A1 ARG 142 HD2 -0.05 -0.02 0.05 -0.04 3.22 3.16 1jv3A1 ARG 142 HD3 -0.13 -0.10 0.14 -0.04 3.22 3.09 1jv3A1 ILE 143 H -0.12 0.43 -0.19 -0.55 8.25 7.82 1jv3A1 ILE 143 HA -0.06 0.03 0.37 -0.75 4.18 3.76 1jv3A1 ILE 143 HB -0.21 0.16 0.19 -0.04 1.89 1.99 1jv3A1 ILE 143 HG12 -0.26 -0.06 -0.07 -0.04 1.49 1.06 1jv3A1 ILE 143 HG13 -0.37 0.13 0.03 -0.04 1.21 0.96 1jv3A1 ILE 143 HG23 -0.06 -0.00 -0.08 -0.04 0.93 0.74 1jv3A1 ILE 143 HD13 -1.21 -0.02 -0.08 -0.04 0.88 -0.47 1jv3A1 LEU 144 H -0.00 0.60 -0.04 -0.55 8.37 8.39 1jv3A1 LEU 144 HA 0.03 0.01 0.36 -0.75 4.35 3.99 1jv3A1 LEU 144 HB2 0.05 0.03 0.14 -0.04 1.64 1.83 1jv3A1 LEU 144 HB3 0.05 -0.04 -0.02 -0.04 1.64 1.60 1jv3A1 LEU 144 HG 0.09 0.05 -0.01 -0.04 1.64 1.72 1jv3A1 LEU 144 HD13 0.12 -0.03 -0.09 -0.04 0.93 0.89 1jv3A1 LEU 144 HD23 0.08 0.00 -0.08 -0.04 0.89 0.85 1jv3A1 LYS 145 H 0.05 0.55 -0.39 -0.55 8.42 8.07 1jv3A1 LYS 145 HA 0.02 -0.00 0.31 -0.75 4.32 3.90 1jv3A1 LYS 145 HB2 0.10 0.02 -0.18 -0.04 1.87 1.77 1jv3A1 LYS 145 HB3 0.15 0.11 0.11 -0.04 1.79 2.13 1jv3A1 LYS 145 HG2 0.18 -0.02 -0.12 -0.04 1.46 1.46 1jv3A1 LYS 145 HG3 0.01 -0.10 -0.37 -0.04 1.46 0.95 1jv3A1 LYS 145 HD2 -0.00 -0.14 0.04 -0.04 1.69 1.55 1jv3A1 LYS 145 HD3 0.04 0.04 -0.01 -0.04 1.68 1.71 1jv3A1 LYS 145 HE2 0.05 -0.03 -0.40 -0.04 2.99 2.57 1jv3A1 LYS 145 HE3 0.00 -0.16 -0.12 -0.04 2.99 2.67 1jv3A1 LEU 146 H -0.04 0.57 -0.15 -0.55 8.37 8.20 1jv3A1 LEU 146 HA -0.15 -0.06 0.45 -0.75 4.35 3.83 1jv3A1 LEU 146 HB2 -0.09 0.14 0.10 -0.04 1.64 1.75 1jv3A1 LEU 146 HB3 -0.12 -0.05 -0.01 -0.04 1.64 1.41 1jv3A1 LEU 146 HG -0.40 0.14 0.05 -0.04 1.64 1.39 1jv3A1 LEU 146 HD13 -0.18 -0.00 -0.11 -0.04 0.93 0.59 1jv3A1 LEU 146 HD23 -0.70 -0.05 -0.01 -0.04 0.89 0.08 1jv3A1 GLN 147 H -0.02 0.57 -0.19 -0.55 8.47 8.28 1jv3A1 GLN 147 HA -0.01 0.02 0.34 -0.75 4.36 3.96 1jv3A1 GLN 147 HB2 0.01 0.09 0.20 -0.04 2.15 2.41 1jv3A1 GLN 147 HB3 0.01 -0.00 0.07 -0.04 2.02 2.06 1jv3A1 GLN 147 HG2 0.01 0.03 -0.11 -0.04 2.40 2.29 1jv3A1 GLN 147 HG3 -0.00 0.07 -0.01 -0.04 2.39 2.40 1jv3A1 GLN 147 HE21 0.05 -0.09 0.04 -0.04 6.97 6.93 1jv3A1 GLN 147 HE22 0.03 0.04 0.06 -0.04 7.69 7.78 1jv3A1 GLN 148 H -0.01 0.62 -0.11 -0.55 8.47 8.42 1jv3A1 GLN 148 HA -0.01 -0.01 0.40 -0.75 4.36 3.98 1jv3A1 GLN 148 HB2 -0.01 0.17 0.21 -0.04 2.15 2.48 1jv3A1 GLN 148 HB3 -0.03 -0.05 -0.02 -0.04 2.02 1.88 1jv3A1 GLN 148 HG2 0.01 -0.04 0.02 -0.04 2.40 2.35 1jv3A1 GLN 148 HG3 0.01 -0.05 0.04 -0.04 2.39 2.34 1jv3A1 GLN 148 HE21 0.04 -0.08 -0.11 -0.04 6.97 6.77 1jv3A1 GLN 148 HE22 0.03 -0.01 -0.03 -0.04 7.69 7.64 1jv3A1 VAL 149 H -0.07 0.77 0.04 -0.55 8.24 8.44 1jv3A1 VAL 149 HA -0.21 -0.01 0.37 -0.75 4.13 3.53 1jv3A1 VAL 149 HB -0.11 0.04 0.12 -0.04 2.12 2.13 1jv3A1 VAL 149 HG13 -0.20 -0.03 -0.13 -0.04 0.97 0.57 1jv3A1 VAL 149 HG23 -0.10 0.04 0.00 -0.04 0.95 0.85 1jv3A1 ALA 150 H -0.03 0.75 -0.21 -0.55 8.40 8.36 1jv3A1 ALA 150 HA 0.19 -0.05 0.45 -0.75 4.34 4.17 1jv3A1 ALA 150 HB3 0.02 0.03 0.07 -0.04 1.41 1.48 1jv3A1 GLU 151 H 0.01 0.52 -0.14 -0.55 8.60 8.44 1jv3A1 GLU 151 HA 0.08 0.20 0.37 -0.75 4.29 4.19 1jv3A1 GLU 151 HB2 0.02 0.04 0.13 -0.04 2.09 2.23 1jv3A1 GLU 151 HB3 0.00 0.05 0.07 -0.04 1.99 2.07 1jv3A1 GLU 151 HG2 0.03 -0.09 -0.26 -0.04 2.34 1.98 1jv3A1 GLU 151 HG3 0.03 0.06 -0.81 -0.04 2.34 1.58 1jv3A1 LYS 152 H -0.08 0.44 -0.30 -0.55 8.42 7.93 1jv3A1 LYS 152 HA -0.01 0.08 0.62 -0.75 4.32 4.25 1jv3A1 LYS 152 HB2 -0.30 0.11 0.12 -0.04 1.87 1.76 1jv3A1 LYS 152 HB3 -0.15 -0.07 0.03 -0.04 1.79 1.57 1jv3A1 LYS 152 HG2 -0.04 -0.03 -0.00 -0.04 1.46 1.35 1jv3A1 LYS 152 HG3 -0.08 0.13 -0.01 -0.04 1.46 1.47 1jv3A1 LYS 152 HD2 -0.04 -0.02 -0.01 -0.04 1.69 1.57 1jv3A1 LYS 152 HD3 -0.11 -0.01 -0.01 -0.04 1.68 1.50 1jv3A1 LYS 152 HE2 -0.03 0.01 0.02 -0.04 2.99 2.94 1jv3A1 LYS 152 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.95 1jv3A1 TYR 153 H 0.03 0.42 -0.15 -0.55 8.29 8.04 1jv3A1 TYR 153 HA -0.14 0.13 0.85 -0.75 4.56 4.64 1jv3A1 TYR 153 HB2 -0.04 0.10 0.09 -0.04 3.06 3.18 1jv3A1 TYR 153 HB3 -0.40 -0.06 0.13 -0.04 2.98 2.61 1jv3A1 TYR 153 HD2 -0.03 0.07 -0.09 -0.04 7.15 7.06 1jv3A1 TYR 153 HE2 -0.02 -0.05 -0.04 -0.04 6.85 6.70 1jv3A1 TYR 154 H 0.17 0.11 -0.25 -0.55 8.29 7.76 1jv3A1 TYR 154 HA 0.10 0.14 0.79 -0.75 4.56 4.83 1jv3A1 TYR 154 HB2 0.07 0.19 0.05 -0.04 3.06 3.33 1jv3A1 TYR 154 HB3 0.09 -0.06 0.12 -0.04 2.98 3.09 1jv3A1 TYR 154 HD2 0.16 0.09 0.00 -0.04 7.15 7.36 1jv3A1 TYR 154 HE2 0.19 -0.08 -0.09 -0.04 6.85 6.83 1jv3A1 GLY 155 H 0.11 0.29 -0.01 -0.55 8.43 8.27 1jv3A1 GLY 155 HA2 0.05 0.03 0.43 -0.51 4.01 4.01 1jv3A1 GLY 155 HA3 0.07 0.01 0.44 -0.51 4.01 4.02 1jv3A1 ASN 156 H 0.12 0.15 -0.54 -0.55 8.53 7.71 1jv3A1 ASN 156 HA 0.04 0.10 0.93 -0.75 4.76 5.08 1jv3A1 ASN 156 HB2 0.03 0.00 0.09 -0.04 2.88 2.96 1jv3A1 ASN 156 HB3 0.05 -0.03 0.03 -0.04 2.79 2.80 1jv3A1 ASN 156 HD21 -0.03 0.46 0.02 -0.04 7.03 7.44 1jv3A1 ASN 156 HD22 0.00 0.22 -0.40 -0.04 7.74 7.52 1jv3A1 LYS 157 H 0.02 0.07 0.19 -0.55 8.42 8.14 1jv3A1 LYS 157 HA 0.02 0.07 0.57 -0.75 4.32 4.22 1jv3A1 LYS 157 HB2 0.02 -0.03 0.13 -0.04 1.87 1.94 1jv3A1 LYS 157 HB3 0.02 0.02 0.03 -0.04 1.79 1.81 1jv3A1 LYS 157 HG2 0.02 0.02 0.03 -0.04 1.46 1.49 1jv3A1 LYS 157 HG3 0.02 0.01 0.08 -0.04 1.46 1.53 1jv3A1 LYS 157 HD2 0.02 -0.01 0.02 -0.04 1.69 1.67 1jv3A1 LYS 157 HD3 0.02 -0.02 0.04 -0.04 1.68 1.68 1jv3A1 LYS 157 HE2 0.02 0.03 -0.02 -0.04 2.99 2.97 1jv3A1 LYS 157 HE3 0.02 0.01 0.00 -0.04 2.99 2.98 1jv3A1 CYS 158 H 0.01 0.18 0.22 -0.55 8.50 8.37 1jv3A1 CYS 158 HA -0.00 0.18 0.88 -0.75 4.58 4.88 1jv3A1 CYS 158 HB2 -0.03 0.14 0.11 -0.04 2.97 3.15 1jv3A1 CYS 158 HB3 -0.03 0.15 -0.11 -0.04 2.97 2.95 1jv3A1 ILE 159 H 0.00 0.27 0.21 -0.55 8.25 8.18 1jv3A1 ILE 159 HA 0.02 0.13 0.99 -0.75 4.18 4.57 1jv3A1 ILE 159 HB 0.02 0.06 0.08 -0.04 1.89 2.00 1jv3A1 ILE 159 HG12 0.01 -0.04 -0.43 -0.04 1.49 0.99 1jv3A1 ILE 159 HG13 0.01 -0.02 -0.09 -0.04 1.21 1.07 1jv3A1 ILE 159 HG23 0.03 -0.01 -0.18 -0.04 0.93 0.72 1jv3A1 ILE 159 HD13 0.03 0.03 -0.03 -0.04 0.88 0.87 1jv3A1 ILE 160 H 0.04 0.16 0.06 -0.55 8.25 7.96 1jv3A1 ILE 160 HA 0.05 0.48 0.95 -0.75 4.18 4.91 1jv3A1 ILE 160 HB 0.01 -0.08 0.14 -0.04 1.89 1.92 1jv3A1 ILE 160 HG12 0.02 0.08 -0.06 -0.04 1.49 1.49 1jv3A1 ILE 160 HG13 0.01 -0.04 -0.34 -0.04 1.21 0.79 1jv3A1 ILE 160 HG23 0.05 0.01 -0.17 -0.04 0.93 0.78 1jv3A1 ILE 160 HD13 -0.02 -0.00 -0.09 -0.04 0.88 0.73 1jv3A1 PRO 161 HA 0.03 0.18 0.56 -0.51 4.44 4.70 1jv3A1 PRO 161 HB2 0.07 -0.08 -0.00 -0.04 2.28 2.22 1jv3A1 PRO 161 HB3 -0.15 0.02 0.02 -0.04 2.02 1.86 1jv3A1 PRO 161 HG2 0.09 0.06 -0.02 -0.04 2.03 2.12 1jv3A1 PRO 161 HG3 0.03 0.03 -0.02 -0.04 2.03 2.03 1jv3A1 PRO 161 HD2 0.11 0.17 0.24 -0.04 3.68 4.16 1jv3A1 PRO 161 HD3 0.06 0.31 -0.11 -0.04 3.65 3.87 1jv3A1 TRP 162 H 0.09 0.63 0.29 -0.55 7.97 8.44 1jv3A1 TRP 162 HA 0.08 0.18 1.01 -0.75 4.62 5.14 1jv3A1 TRP 162 HB2 0.07 0.12 0.03 -0.04 3.23 3.40 1jv3A1 TRP 162 HB3 -0.02 -0.05 0.28 -0.04 3.23 3.40 1jv3A1 TRP 162 HD1 0.16 0.13 -0.14 -0.04 7.22 7.32 1jv3A1 TRP 162 HE1 0.27 -0.10 -0.13 -0.04 10.20 10.20 1jv3A1 TRP 162 HE3 0.24 0.07 -0.03 -0.04 7.59 7.82 1jv3A1 TRP 162 HZ2 0.43 -0.06 -0.08 -0.04 7.44 7.69 1jv3A1 TRP 162 HZ3 0.39 0.02 -0.07 -0.04 7.13 7.44 1jv3A1 TRP 162 HH2 0.24 0.09 -0.01 -0.04 7.19 7.47 1jv3A1 TYR 163 H 0.47 0.64 0.26 -0.55 8.29 9.11 1jv3A1 TYR 163 HA 0.01 0.21 0.85 -0.75 4.56 4.88 1jv3A1 TYR 163 HB2 0.17 -0.05 0.16 -0.04 3.06 3.31 1jv3A1 TYR 163 HB3 0.22 -0.01 -0.01 -0.04 2.98 3.13 1jv3A1 TYR 163 HD2 -0.01 0.10 -0.06 -0.04 7.15 7.14 1jv3A1 TYR 163 HE2 -0.02 0.03 -0.10 -0.04 6.85 6.72 1jv3A1 ILE 164 H 0.00 0.74 0.25 -0.55 8.25 8.70 1jv3A1 ILE 164 HA -0.06 0.11 1.01 -0.75 4.18 4.49 1jv3A1 ILE 164 HB -0.46 -0.04 -0.00 -0.04 1.89 1.36 1jv3A1 ILE 164 HG12 -0.88 0.02 -0.40 -0.04 1.49 0.19 1jv3A1 ILE 164 HG13 -0.95 0.16 -0.44 -0.04 1.21 -0.05 1jv3A1 ILE 164 HG23 -0.14 -0.02 -0.19 -0.04 0.93 0.54 1jv3A1 ILE 164 HD13 -1.69 -0.01 -0.15 -0.04 0.88 -1.01 1jv3A1 MET 165 H -0.13 0.69 0.29 -0.55 8.47 8.78 1jv3A1 MET 165 HA -0.99 0.43 0.92 -0.75 4.52 4.13 1jv3A1 MET 165 HB2 -0.56 0.03 0.02 -0.04 2.15 1.60 1jv3A1 MET 165 HB3 -0.24 -0.17 0.23 -0.04 2.03 1.82 1jv3A1 MET 165 HG2 -0.31 -0.01 -0.15 -0.04 2.63 2.12 1jv3A1 MET 165 HG3 -0.77 0.12 -0.07 -0.04 2.56 1.80 1jv3A1 MET 165 HE3 -0.09 -0.03 -0.01 -0.04 2.10 1.92 1jv3A1 THR 166 H -0.28 0.58 0.31 -0.55 8.28 8.35 1jv3A1 THR 166 HA -0.06 0.28 0.60 -0.75 4.39 4.46 1jv3A1 THR 166 HB -0.04 -0.12 -0.05 -0.04 4.32 4.07 1jv3A1 THR 166 HG23 -0.01 0.05 -0.22 -0.04 1.22 1.00 1jv3A1 SER 167 H -0.04 0.11 0.24 -0.55 8.46 8.23 1jv3A1 SER 167 HA -0.05 0.28 0.98 -0.75 4.49 4.95 1jv3A1 SER 167 HB2 -0.02 0.04 0.21 -0.04 3.95 4.13 1jv3A1 SER 167 HB3 -0.03 0.02 0.08 -0.04 3.93 3.95 1jv3A1 GLY 168 H -0.01 0.30 0.14 -0.55 8.43 8.31 1jv3A1 GLY 168 HA2 -0.01 0.09 0.40 -0.51 4.01 3.98 1jv3A1 GLY 168 HA3 -0.00 0.13 0.34 -0.51 4.01 3.96 1jv3A1 ARG 169 H -0.01 0.04 -0.29 -0.55 8.46 7.66 1jv3A1 ARG 169 HA 0.00 0.25 0.74 -0.75 4.34 4.59 1jv3A1 ARG 169 HB2 0.00 -0.01 0.06 -0.04 1.90 1.91 1jv3A1 ARG 169 HB3 0.00 0.00 -0.01 -0.04 1.80 1.76 1jv3A1 ARG 169 HG2 0.00 -0.05 0.08 -0.04 1.67 1.67 1jv3A1 ARG 169 HG3 0.01 0.04 0.19 -0.04 1.67 1.87 1jv3A1 ARG 169 HD2 0.01 0.01 -0.03 -0.04 3.22 3.16 1jv3A1 ARG 169 HD3 0.01 0.02 0.02 -0.04 3.22 3.22 1jv3A1 THR 170 H -0.01 0.24 -0.20 -0.55 8.28 7.77 1jv3A1 THR 170 HA 0.02 0.27 1.04 -0.75 4.39 4.97 1jv3A1 THR 170 HB 0.05 -0.01 0.14 -0.04 4.32 4.46 1jv3A1 THR 170 HG23 0.02 0.02 -0.26 -0.04 1.22 0.96 1jv3A1 MET 171 H -0.03 0.45 0.09 -0.55 8.47 8.43 1jv3A1 MET 171 HA -0.10 0.03 0.30 -0.75 4.52 4.00 1jv3A1 MET 171 HB2 -0.05 0.06 0.01 -0.04 2.15 2.13 1jv3A1 MET 171 HB3 -0.04 -0.00 0.13 -0.04 2.03 2.07 1jv3A1 MET 171 HG2 -0.04 0.04 -0.08 -0.04 2.63 2.50 1jv3A1 MET 171 HG3 -0.08 0.02 -0.22 -0.04 2.56 2.24 1jv3A1 MET 171 HE3 0.02 0.02 -0.23 -0.04 2.10 1.86 1jv3A1 GLU 172 H -0.04 0.18 -0.07 -0.55 8.60 8.13 1jv3A1 GLU 172 HA -0.07 0.08 0.35 -0.75 4.29 3.90 1jv3A1 GLU 172 HB2 -0.01 -0.03 0.08 -0.04 2.09 2.09 1jv3A1 GLU 172 HB3 -0.01 0.05 -0.03 -0.04 1.99 1.95 1jv3A1 GLU 172 HG2 -0.02 0.05 0.02 -0.04 2.34 2.35 1jv3A1 GLU 172 HG3 -0.03 -0.02 0.04 -0.04 2.34 2.29 1jv3A1 SER 173 H 0.00 0.14 -0.16 -0.55 8.46 7.90 1jv3A1 SER 173 HA 0.04 0.05 0.38 -0.75 4.49 4.21 1jv3A1 SER 173 HB2 0.08 0.00 0.06 -0.04 3.95 4.05 1jv3A1 SER 173 HB3 0.05 0.03 0.10 -0.04 3.93 4.07 1jv3A1 THR 174 H -0.01 0.50 -0.24 -0.55 8.28 7.99 1jv3A1 THR 174 HA 0.16 -0.02 0.41 -0.75 4.39 4.18 1jv3A1 THR 174 HB -0.14 0.14 0.13 -0.04 4.32 4.40 1jv3A1 THR 174 HG23 -0.11 -0.02 -0.13 -0.04 1.22 0.92 1jv3A1 LYS 175 H -0.26 0.61 -0.00 -0.55 8.42 8.22 1jv3A1 LYS 175 HA -0.72 0.02 0.41 -0.75 4.32 3.27 1jv3A1 LYS 175 HB2 -0.22 0.10 0.17 -0.04 1.87 1.88 1jv3A1 LYS 175 HB3 -0.25 -0.02 -0.00 -0.04 1.79 1.47 1jv3A1 LYS 175 HG2 -1.14 -0.02 0.02 -0.04 1.46 0.28 1jv3A1 LYS 175 HG3 -0.57 0.13 0.05 -0.04 1.46 1.03 1jv3A1 LYS 175 HD2 -0.18 -0.06 -0.11 -0.04 1.69 1.31 1jv3A1 LYS 175 HD3 -0.17 0.01 -0.02 -0.04 1.68 1.45 1jv3A1 LYS 175 HE2 -0.16 -0.06 -0.07 -0.04 2.99 2.65 1jv3A1 LYS 175 HE3 -0.06 0.02 -0.05 -0.04 2.99 2.86 1jv3A1 GLU 176 H -0.04 0.54 -0.10 -0.55 8.60 8.46 1jv3A1 GLU 176 HA -0.02 0.03 0.44 -0.75 4.29 3.98 1jv3A1 GLU 176 HB2 0.05 0.08 0.14 -0.04 2.09 2.31 1jv3A1 GLU 176 HB3 0.02 -0.02 0.01 -0.04 1.99 1.95 1jv3A1 GLU 176 HG2 -0.01 -0.02 0.02 -0.04 2.34 2.28 1jv3A1 GLU 176 HG3 -0.02 0.15 0.06 -0.04 2.34 2.49 1jv3A1 PHE 177 H 0.22 0.57 -0.11 -0.55 8.34 8.46 1jv3A1 PHE 177 HA 0.04 0.02 0.37 -0.75 4.62 4.30 1jv3A1 PHE 177 HB2 0.10 0.08 0.15 -0.04 3.15 3.44 1jv3A1 PHE 177 HB3 0.16 0.08 0.15 -0.04 3.06 3.40 1jv3A1 PHE 177 HD2 0.03 0.01 -0.09 -0.04 7.28 7.20 1jv3A1 PHE 177 HE2 0.18 -0.02 -0.03 -0.04 7.38 7.46 1jv3A1 PHE 177 HZ -0.03 -0.01 0.01 -0.04 7.32 7.24 1jv3A1 PHE 178 H 0.34 0.55 -0.16 -0.55 8.34 8.51 1jv3A1 PHE 178 HA -0.35 -0.01 0.37 -0.75 4.62 3.87 1jv3A1 PHE 178 HB2 -0.18 0.16 0.16 -0.04 3.15 3.24 1jv3A1 PHE 178 HB3 -0.83 -0.02 -0.04 -0.04 3.06 2.13 1jv3A1 PHE 178 HD2 -0.08 0.12 -0.00 -0.04 7.28 7.27 1jv3A1 PHE 178 HE2 -1.14 -0.01 -0.08 -0.04 7.38 6.11 1jv3A1 PHE 178 HZ -0.85 -0.02 -0.09 -0.04 7.32 6.33 1jv3A1 THR 179 H -0.12 0.56 -0.08 -0.55 8.28 8.09 1jv3A1 THR 179 HA -0.10 -0.02 0.41 -0.75 4.39 3.92 1jv3A1 THR 179 HB -0.05 0.09 0.21 -0.04 4.32 4.53 1jv3A1 THR 179 HG23 0.02 -0.01 -0.06 -0.04 1.22 1.12 1jv3A1 LYS 180 H -0.16 0.70 -0.13 -0.55 8.42 8.28 1jv3A1 LYS 180 HA -0.19 -0.01 0.42 -0.75 4.32 3.79 1jv3A1 LYS 180 HB2 -0.14 -0.05 0.10 -0.04 1.87 1.74 1jv3A1 LYS 180 HB3 -0.26 0.14 0.17 -0.04 1.79 1.79 1jv3A1 LYS 180 HG2 -0.61 0.02 -0.18 -0.04 1.46 0.64 1jv3A1 LYS 180 HG3 -0.26 -0.03 0.07 -0.04 1.46 1.19 1jv3A1 LYS 180 HD2 -0.17 -0.02 -0.01 -0.04 1.69 1.44 1jv3A1 LYS 180 HD3 -0.10 -0.03 -0.01 -0.04 1.68 1.50 1jv3A1 LYS 180 HE2 -0.27 0.04 -0.01 -0.04 2.99 2.71 1jv3A1 LYS 180 HE3 0.05 -0.04 -0.01 -0.04 2.99 2.95 1jv3A1 HIS 181 H -0.44 0.39 -0.35 -0.55 8.41 7.47 1jv3A1 HIS 181 HA -0.39 0.22 0.92 -0.75 4.63 4.62 1jv3A1 HIS 181 HB2 -1.41 0.06 0.13 -0.04 3.26 2.00 1jv3A1 HIS 181 HB3 -1.33 -0.14 0.19 -0.04 3.20 1.88 1jv3A1 HIS 181 HD2 -0.14 -0.00 0.03 -0.04 6.97 6.81 1jv3A1 HIS 181 HE1 -0.48 -0.03 -0.02 -0.04 7.75 7.18 1jv3A1 LYS 182 H -0.21 0.56 -0.32 -0.55 8.42 7.89 1jv3A1 LYS 182 HA 0.08 0.05 0.34 -0.75 4.32 4.04 1jv3A1 LYS 182 HB2 -0.05 0.10 -0.12 -0.04 1.87 1.76 1jv3A1 LYS 182 HB3 0.03 -0.04 0.19 -0.04 1.79 1.94 1jv3A1 LYS 182 HG2 -0.02 -0.00 0.03 -0.04 1.46 1.43 1jv3A1 LYS 182 HG3 -0.10 0.08 -0.16 -0.04 1.46 1.25 1jv3A1 LYS 182 HD2 -0.04 -0.01 -0.02 -0.04 1.69 1.58 1jv3A1 LYS 182 HD3 -0.04 -0.00 -0.07 -0.04 1.68 1.53 1jv3A1 LYS 182 HE2 0.02 -0.00 0.02 -0.04 2.99 2.99 1jv3A1 LYS 182 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 1jv3A1 TYR 183 H -0.45 0.50 -0.24 -0.55 8.29 7.55 1jv3A1 TYR 183 HA 0.08 -0.03 0.19 -0.75 4.56 4.04 1jv3A1 TYR 183 HB2 0.10 0.31 -0.22 -0.04 3.06 3.22 1jv3A1 TYR 183 HB3 0.25 -0.06 -0.02 -0.04 2.98 3.11 1jv3A1 TYR 183 HD2 0.16 -0.01 -0.21 -0.04 7.15 7.05 1jv3A1 TYR 183 HE2 0.15 0.03 -0.02 -0.04 6.85 6.96 1jv3A1 PHE 184 H -0.55 0.48 -0.40 -0.55 8.34 7.31 1jv3A1 PHE 184 HA 0.06 0.09 0.28 -0.75 4.62 4.30 1jv3A1 PHE 184 HB2 0.17 0.10 -0.13 -0.04 3.15 3.25 1jv3A1 PHE 184 HB3 0.08 -0.02 0.16 -0.04 3.06 3.23 1jv3A1 PHE 184 HD2 -0.05 0.05 -0.17 -0.04 7.28 7.08 1jv3A1 PHE 184 HE2 -1.27 -0.02 -0.08 -0.04 7.38 5.97 1jv3A1 PHE 184 HZ -0.30 -0.02 -0.12 -0.04 7.32 6.84 1jv3A1 GLY 185 H 0.15 0.42 -0.47 -0.55 8.43 7.99 1jv3A1 GLY 185 HA2 0.11 -0.02 0.30 -0.51 4.01 3.88 1jv3A1 GLY 185 HA3 0.14 0.13 0.86 -0.51 4.01 4.62 1jv3A1 LEU 186 H 0.29 0.61 -0.06 -0.55 8.37 8.67 1jv3A1 LEU 186 HA 0.14 0.12 0.68 -0.75 4.35 4.54 1jv3A1 LEU 186 HB2 0.42 0.11 0.05 -0.04 1.64 2.18 1jv3A1 LEU 186 HB3 0.25 -0.03 0.03 -0.04 1.64 1.85 1jv3A1 LEU 186 HG 0.24 0.01 -0.09 -0.04 1.64 1.75 1jv3A1 LEU 186 HD13 0.46 -0.00 0.00 -0.04 0.93 1.35 1jv3A1 LEU 186 HD23 0.12 0.00 -0.01 -0.04 0.89 0.97 1jv3A1 LYS 187 H 0.08 0.15 0.11 -0.55 8.42 8.20 1jv3A1 LYS 187 HA -0.01 0.17 0.72 -0.75 4.32 4.44 1jv3A1 LYS 187 HB2 -0.00 -0.01 0.10 -0.04 1.87 1.91 1jv3A1 LYS 187 HB3 -0.03 -0.07 0.05 -0.04 1.79 1.70 1jv3A1 LYS 187 HG2 0.02 0.05 -0.04 -0.04 1.46 1.45 1jv3A1 LYS 187 HG3 0.04 0.03 0.01 -0.04 1.46 1.50 1jv3A1 LYS 187 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 1jv3A1 LYS 187 HD3 0.00 -0.03 -0.01 -0.04 1.68 1.60 1jv3A1 LYS 187 HE2 0.03 0.05 -0.01 -0.04 2.99 3.01 1jv3A1 LYS 187 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 1jv3A1 LYS 188 H -0.24 0.21 0.13 -0.55 8.42 7.97 1jv3A1 LYS 188 HA -0.99 0.09 0.32 -0.75 4.32 2.98 1jv3A1 LYS 188 HB2 -0.85 0.04 0.09 -0.04 1.87 1.11 1jv3A1 LYS 188 HB3 -0.28 -0.03 0.12 -0.04 1.79 1.56 1jv3A1 LYS 188 HG2 -0.19 0.04 -0.32 -0.04 1.46 0.96 1jv3A1 LYS 188 HG3 -0.32 -0.00 0.02 -0.04 1.46 1.11 1jv3A1 LYS 188 HD2 -0.06 0.00 -0.00 -0.04 1.69 1.59 1jv3A1 LYS 188 HD3 -0.09 -0.01 -0.02 -0.04 1.68 1.52 1jv3A1 LYS 188 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.92 1jv3A1 LYS 188 HE3 -0.02 0.02 -0.05 -0.04 2.99 2.89 1jv3A1 GLU 189 H -0.12 0.04 -0.31 -0.55 8.60 7.67 1jv3A1 GLU 189 HA -0.08 0.11 0.37 -0.75 4.29 3.93 1jv3A1 GLU 189 HB2 -0.04 0.05 0.06 -0.04 2.09 2.12 1jv3A1 GLU 189 HB3 -0.05 -0.04 0.05 -0.04 1.99 1.91 1jv3A1 GLU 189 HG2 -0.04 -0.08 -0.15 -0.04 2.34 2.03 1jv3A1 GLU 189 HG3 -0.03 0.07 -0.21 -0.04 2.34 2.13 1jv3A1 ASN 190 H -0.07 0.51 -0.47 -0.55 8.53 7.96 1jv3A1 ASN 190 HA -0.07 0.20 0.81 -0.75 4.76 4.95 1jv3A1 ASN 190 HB2 0.03 0.05 0.10 -0.04 2.88 3.02 1jv3A1 ASN 190 HB3 0.03 -0.03 0.14 -0.04 2.79 2.90 1jv3A1 ASN 190 HD21 0.01 0.04 -0.06 -0.04 7.03 6.97 1jv3A1 ASN 190 HD22 0.02 -0.06 0.01 -0.04 7.74 7.67 1jv3A1 VAL 191 H -0.12 0.46 -0.38 -0.55 8.24 7.65 1jv3A1 VAL 191 HA -0.14 0.20 0.92 -0.75 4.13 4.35 1jv3A1 VAL 191 HB -0.05 0.03 0.14 -0.04 2.12 2.19 1jv3A1 VAL 191 HG13 -0.82 -0.03 -0.11 -0.04 0.97 -0.03 1jv3A1 VAL 191 HG23 0.35 0.02 -0.21 -0.04 0.95 1.06 1jv3A1 ILE 192 H -0.38 0.43 0.04 -0.55 8.25 7.79 1jv3A1 ILE 192 HA -0.16 0.19 0.99 -0.75 4.18 4.45 1jv3A1 ILE 192 HB -0.31 -0.10 0.08 -0.04 1.89 1.51 1jv3A1 ILE 192 HG12 -0.23 0.02 -0.10 -0.04 1.49 1.14 1jv3A1 ILE 192 HG13 -0.19 0.11 -0.31 -0.04 1.21 0.78 1jv3A1 ILE 192 HG23 0.07 0.01 -0.15 -0.04 0.93 0.82 1jv3A1 ILE 192 HD13 -0.69 -0.01 -0.29 -0.04 0.88 -0.15 1jv3A1 PHE 193 H 0.06 0.20 0.17 -0.55 8.34 8.21 1jv3A1 PHE 193 HA -0.05 0.21 0.75 -0.75 4.62 4.78 1jv3A1 PHE 193 HB2 -0.04 0.00 0.11 -0.04 3.15 3.18 1jv3A1 PHE 193 HB3 -0.09 -0.06 0.01 -0.04 3.06 2.87 1jv3A1 PHE 193 HD2 -0.19 0.02 -0.02 -0.04 7.28 7.06 1jv3A1 PHE 193 HE2 -0.50 -0.00 -0.08 -0.04 7.38 6.76 1jv3A1 PHE 193 HZ -1.30 -0.02 -0.07 -0.04 7.32 5.88 1jv3A1 PHE 194 H 0.05 0.57 0.37 -0.55 8.34 8.78 1jv3A1 PHE 194 HA 0.06 0.08 0.51 -0.75 4.62 4.52 1jv3A1 PHE 194 HB2 0.04 0.04 0.04 -0.04 3.15 3.23 1jv3A1 PHE 194 HB3 0.07 0.14 -0.20 -0.04 3.06 3.03 1jv3A1 PHE 194 HD2 0.05 0.13 -0.29 -0.04 7.28 7.13 1jv3A1 PHE 194 HE2 0.03 -0.03 -0.27 -0.04 7.38 7.06 1jv3A1 PHE 194 HZ -0.03 -0.04 -0.16 -0.04 7.32 7.06 1jv3A1 GLN 195 H 0.10 0.21 0.10 -0.55 8.47 8.33 1jv3A1 GLN 195 HA -0.14 0.16 0.84 -0.75 4.36 4.47 1jv3A1 GLN 195 HB2 -0.01 -0.05 -0.04 -0.04 2.15 2.01 1jv3A1 GLN 195 HB3 0.02 0.06 0.04 -0.04 2.02 2.09 1jv3A1 GLN 195 HG2 -0.02 0.33 -0.13 -0.04 2.40 2.54 1jv3A1 GLN 195 HG3 -0.04 -0.17 -0.36 -0.04 2.39 1.78 1jv3A1 GLN 195 HE21 -0.00 0.02 -0.03 -0.04 6.97 6.91 1jv3A1 GLN 195 HE22 -0.00 0.10 -0.05 -0.04 7.69 7.70 1jv3A1 GLN 196 H -0.11 0.52 0.39 -0.55 8.47 8.72 1jv3A1 GLN 196 HA 0.00 0.14 0.69 -0.75 4.36 4.43 1jv3A1 GLN 196 HB2 -0.03 -0.04 0.03 -0.04 2.15 2.07 1jv3A1 GLN 196 HB3 -0.11 -0.03 -0.01 -0.04 2.02 1.83 1jv3A1 GLN 196 HG2 -0.08 0.16 0.10 -0.04 2.40 2.54 1jv3A1 GLN 196 HG3 -0.03 0.11 -0.10 -0.04 2.39 2.33 1jv3A1 GLN 196 HE21 -0.02 0.07 -0.24 -0.04 6.97 6.73 1jv3A1 GLN 196 HE22 -0.02 0.06 -0.07 -0.04 7.69 7.62 1jv3A1 GLY 197 H 0.02 0.10 0.13 -0.55 8.43 8.13 1jv3A1 GLY 197 HA2 0.02 0.16 0.50 -0.51 4.01 4.17 1jv3A1 GLY 197 HA3 0.03 0.08 0.37 -0.51 4.01 3.99 1jv3A1 MET 198 H 0.02 0.33 0.25 -0.55 8.47 8.53 1jv3A1 MET 198 HA 0.01 0.08 0.91 -0.75 4.52 4.77 1jv3A1 MET 198 HB2 0.01 0.04 -0.03 -0.04 2.15 2.12 1jv3A1 MET 198 HB3 0.01 0.03 -0.06 -0.04 2.03 1.97 1jv3A1 MET 198 HG2 0.00 0.20 -0.52 -0.04 2.63 2.27 1jv3A1 MET 198 HG3 0.00 0.03 -0.18 -0.04 2.56 2.38 1jv3A1 MET 198 HE3 0.01 0.07 -0.30 -0.04 2.10 1.84 1jv3A1 LEU 199 H 0.01 0.70 0.32 -0.55 8.37 8.85 1jv3A1 LEU 199 HA 0.03 0.17 0.91 -0.75 4.35 4.70 1jv3A1 LEU 199 HB2 -0.01 0.03 0.02 -0.04 1.64 1.65 1jv3A1 LEU 199 HB3 -0.00 0.13 0.01 -0.04 1.64 1.73 1jv3A1 LEU 199 HG 0.03 -0.14 -0.31 -0.04 1.64 1.18 1jv3A1 LEU 199 HD13 -0.16 0.04 -0.10 -0.04 0.93 0.67 1jv3A1 LEU 199 HD23 0.15 0.03 0.04 -0.04 0.89 1.07 1jv3A1 PRO 200 HA 0.02 0.23 0.78 -0.51 4.44 4.96 1jv3A1 PRO 200 HB2 0.03 0.12 0.09 -0.04 2.28 2.48 1jv3A1 PRO 200 HB3 0.02 -0.04 0.06 -0.04 2.02 2.02 1jv3A1 PRO 200 HG2 0.04 0.05 0.05 -0.04 2.03 2.13 1jv3A1 PRO 200 HG3 0.02 -0.00 0.06 -0.04 2.03 2.06 1jv3A1 PRO 200 HD2 0.04 0.08 0.25 -0.04 3.68 4.02 1jv3A1 PRO 200 HD3 0.01 0.12 0.15 -0.04 3.65 3.88 1jv3A1 ALA 201 H 0.02 0.47 0.29 -0.55 8.40 8.63 1jv3A1 ALA 201 HA 0.01 0.18 0.69 -0.75 4.34 4.45 1jv3A1 ALA 201 HB3 -0.00 -0.02 0.02 -0.04 1.41 1.36 1jv3A1 MET 202 H -0.02 0.45 0.31 -0.55 8.47 8.66 1jv3A1 MET 202 HA -0.08 0.17 0.84 -0.75 4.52 4.69 1jv3A1 MET 202 HB2 0.08 -0.03 -0.02 -0.04 2.15 2.14 1jv3A1 MET 202 HB3 -0.24 0.03 -0.18 -0.04 2.03 1.60 1jv3A1 MET 202 HG2 -0.05 -0.04 -0.27 -0.04 2.63 2.22 1jv3A1 MET 202 HG3 0.01 0.07 -0.77 -0.04 2.56 1.83 1jv3A1 MET 202 HE3 -0.25 -0.02 -0.12 -0.04 2.10 1.67 1jv3A1 SER 203 H -0.18 0.60 0.21 -0.55 8.46 8.54 1jv3A1 SER 203 HA -0.43 0.27 0.88 -0.75 4.49 4.45 1jv3A1 SER 203 HB2 -0.25 -0.06 0.22 -0.04 3.95 3.82 1jv3A1 SER 203 HB3 -0.26 0.08 0.17 -0.04 3.93 3.89 1jv3A1 PHE 204 H -0.56 0.26 0.11 -0.55 8.34 7.60 1jv3A1 PHE 204 HA 0.09 0.13 0.25 -0.75 4.62 4.33 1jv3A1 PHE 204 HB2 -0.03 -0.02 0.06 -0.04 3.15 3.12 1jv3A1 PHE 204 HB3 -0.03 0.06 0.06 -0.04 3.06 3.11 1jv3A1 PHE 204 HD2 -0.03 0.02 -0.07 -0.04 7.28 7.15 1jv3A1 PHE 204 HE2 -0.00 0.17 -0.15 -0.04 7.38 7.35 1jv3A1 PHE 204 HZ 0.01 -0.02 -0.21 -0.04 7.32 7.06 1jv3A1 ASP 205 H -0.04 -0.03 -0.46 -0.55 8.40 7.33 1jv3A1 ASP 205 HA 0.05 0.21 0.54 -0.75 4.63 4.68 1jv3A1 ASP 205 HB2 -0.05 0.05 0.12 -0.04 2.71 2.78 1jv3A1 ASP 205 HB3 -0.01 -0.00 0.03 -0.04 2.70 2.67 1jv3A1 GLY 206 H -0.31 0.59 -0.30 -0.55 8.43 7.87 1jv3A1 GLY 206 HA2 -2.01 0.04 0.24 -0.51 4.01 1.76 1jv3A1 GLY 206 HA3 -0.57 0.21 0.77 -0.51 4.01 3.90 1jv3A1 LYS 207 H -0.27 -0.06 -0.18 -0.55 8.42 7.37 1jv3A1 LYS 207 HA -0.11 0.23 0.76 -0.75 4.32 4.44 1jv3A1 LYS 207 HB2 -0.28 -0.12 0.06 -0.04 1.87 1.49 1jv3A1 LYS 207 HB3 -0.53 0.09 -0.03 -0.04 1.79 1.28 1jv3A1 LYS 207 HG2 -0.34 0.16 0.04 -0.04 1.46 1.28 1jv3A1 LYS 207 HG3 -0.24 0.01 -0.11 -0.04 1.46 1.09 1jv3A1 LYS 207 HD2 -0.33 -0.05 -0.01 -0.04 1.69 1.26 1jv3A1 LYS 207 HD3 -0.77 -0.04 -0.01 -0.04 1.68 0.82 1jv3A1 LYS 207 HE2 -0.19 -0.04 -0.00 -0.04 2.99 2.72 1jv3A1 LYS 207 HE3 -0.20 0.03 -0.00 -0.04 2.99 2.78 1jv3A1 ILE 208 H 0.12 0.14 0.17 -0.55 8.25 8.13 1jv3A1 ILE 208 HA 0.01 0.20 0.58 -0.75 4.18 4.22 1jv3A1 ILE 208 HB 0.10 -0.07 0.13 -0.04 1.89 2.00 1jv3A1 ILE 208 HG12 0.05 0.07 -0.00 -0.04 1.49 1.57 1jv3A1 ILE 208 HG13 0.05 0.04 0.04 -0.04 1.21 1.30 1jv3A1 ILE 208 HG23 0.07 0.01 -0.12 -0.04 0.93 0.85 1jv3A1 ILE 208 HD13 0.21 -0.02 0.01 -0.04 0.88 1.04 1jv3A1 ILE 209 H 0.02 0.58 0.25 -0.55 8.25 8.55 1jv3A1 ILE 209 HA 0.07 0.09 0.69 -0.75 4.18 4.28 1jv3A1 ILE 209 HB 0.00 -0.01 0.02 -0.04 1.89 1.86 1jv3A1 ILE 209 HG12 -0.12 0.01 -0.09 -0.04 1.49 1.25 1jv3A1 ILE 209 HG13 -0.08 -0.00 -0.15 -0.04 1.21 0.94 1jv3A1 ILE 209 HG23 0.04 0.00 -0.24 -0.04 0.93 0.70 1jv3A1 ILE 209 HD13 -0.15 0.01 -0.28 -0.04 0.88 0.43 1jv3A1 LEU 210 H 0.15 0.19 0.17 -0.55 8.37 8.33 1jv3A1 LEU 210 HA 0.09 0.00 0.80 -0.75 4.35 4.48 1jv3A1 LEU 210 HB2 0.21 -0.01 0.10 -0.04 1.64 1.90 1jv3A1 LEU 210 HB3 0.13 0.18 -0.12 -0.04 1.64 1.79 1jv3A1 LEU 210 HG 0.08 -0.02 -0.08 -0.04 1.64 1.58 1jv3A1 LEU 210 HD13 0.26 0.04 -0.01 -0.04 0.93 1.17 1jv3A1 LEU 210 HD23 0.08 -0.01 -0.21 -0.04 0.89 0.71 1jv3A1 GLU 211 H 0.06 0.52 0.40 -0.55 8.60 9.02 1jv3A1 GLU 211 HA 0.07 0.21 0.58 -0.75 4.29 4.40 1jv3A1 GLU 211 HB2 0.04 -0.06 -0.01 -0.04 2.09 2.02 1jv3A1 GLU 211 HB3 0.02 -0.04 -0.05 -0.04 1.99 1.88 1jv3A1 GLU 211 HG2 0.01 -0.04 -0.18 -0.04 2.34 2.09 1jv3A1 GLU 211 HG3 0.03 0.12 -0.02 -0.04 2.34 2.43 1jv3A1 GLU 212 H 0.02 0.45 0.21 -0.55 8.60 8.74 1jv3A1 GLU 212 HA -0.08 0.21 0.66 -0.75 4.29 4.34 1jv3A1 GLU 212 HB2 -0.02 -0.07 -0.06 -0.04 2.09 1.91 1jv3A1 GLU 212 HB3 -0.06 -0.07 0.05 -0.04 1.99 1.87 1jv3A1 GLU 212 HG2 -0.02 0.02 -0.37 -0.04 2.34 1.93 1jv3A1 GLU 212 HG3 -0.02 0.01 -0.10 -0.04 2.34 2.18 1jv3A1 LYS 213 H -0.22 0.20 0.07 -0.55 8.42 7.91 1jv3A1 LYS 213 HA -0.35 0.12 0.29 -0.75 4.32 3.62 1jv3A1 LYS 213 HB2 -0.21 -0.04 0.02 -0.04 1.87 1.60 1jv3A1 LYS 213 HB3 -0.31 0.02 -0.02 -0.04 1.79 1.44 1jv3A1 LYS 213 HG2 -1.52 0.03 -0.01 -0.04 1.46 -0.07 1jv3A1 LYS 213 HG3 -0.45 -0.02 0.06 -0.04 1.46 1.01 1jv3A1 LYS 213 HD2 -0.22 -0.02 -0.00 -0.04 1.69 1.41 1jv3A1 LYS 213 HD3 -0.32 0.00 -0.02 -0.04 1.68 1.30 1jv3A1 LYS 213 HE2 -0.37 -0.06 0.06 -0.04 2.99 2.58 1jv3A1 LYS 213 HE3 -0.22 0.11 0.10 -0.04 2.99 2.93 1jv3A1 ASN 214 H -0.04 0.00 -0.41 -0.55 8.53 7.54 1jv3A1 ASN 214 HA 0.10 0.30 0.88 -0.75 4.76 5.28 1jv3A1 ASN 214 HB2 0.03 0.07 0.12 -0.04 2.88 3.06 1jv3A1 ASN 214 HB3 -0.01 -0.05 -0.10 -0.04 2.79 2.59 1jv3A1 ASN 214 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.97 1jv3A1 ASN 214 HD22 0.01 0.04 0.12 -0.04 7.74 7.87 1jv3A1 LYS 215 H 0.04 0.55 -0.31 -0.55 8.42 8.15 1jv3A1 LYS 215 HA 0.05 0.18 0.81 -0.75 4.32 4.60 1jv3A1 LYS 215 HB2 0.02 0.04 -0.29 -0.04 1.87 1.59 1jv3A1 LYS 215 HB3 0.01 -0.15 -0.01 -0.04 1.79 1.60 1jv3A1 LYS 215 HG2 0.01 -0.03 -0.10 -0.04 1.46 1.30 1jv3A1 LYS 215 HG3 0.03 0.15 -0.32 -0.04 1.46 1.27 1jv3A1 LYS 215 HD2 0.03 0.01 0.10 -0.04 1.69 1.79 1jv3A1 LYS 215 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.62 1jv3A1 LYS 215 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.96 1jv3A1 LYS 215 HE3 0.02 -0.04 -0.03 -0.04 2.99 2.90 1jv3A1 VAL 216 H 0.05 0.18 0.08 -0.55 8.24 8.00 1jv3A1 VAL 216 HA 0.06 0.09 0.64 -0.75 4.13 4.16 1jv3A1 VAL 216 HB 0.04 -0.04 0.04 -0.04 2.12 2.13 1jv3A1 VAL 216 HG13 0.04 0.05 -0.22 -0.04 0.97 0.80 1jv3A1 VAL 216 HG23 0.07 0.01 -0.06 -0.04 0.95 0.92 1jv3A1 SER 217 H 0.05 0.67 0.42 -0.55 8.46 9.05 1jv3A1 SER 217 HA 0.03 -0.01 0.49 -0.75 4.49 4.25 1jv3A1 SER 217 HB2 0.05 0.03 -0.03 -0.04 3.95 3.96 1jv3A1 SER 217 HB3 0.03 -0.05 0.21 -0.04 3.93 4.08 1jv3A1 MET 218 H 0.02 0.15 0.29 -0.55 8.47 8.38 1jv3A1 MET 218 HA 0.02 0.24 0.95 -0.75 4.52 4.97 1jv3A1 MET 218 HB2 0.01 -0.06 0.00 -0.04 2.15 2.07 1jv3A1 MET 218 HB3 0.01 -0.07 -0.06 -0.04 2.03 1.88 1jv3A1 MET 218 HG2 0.02 0.16 -0.33 -0.04 2.63 2.43 1jv3A1 MET 218 HG3 0.01 -0.04 -0.09 -0.04 2.56 2.39 1jv3A1 MET 218 HE3 -0.00 -0.01 -0.11 -0.04 2.10 1.93 1jv3A1 ALA 219 H 0.01 0.55 0.30 -0.55 8.40 8.71 1jv3A1 ALA 219 HA 0.01 0.02 0.53 -0.75 4.34 4.14 1jv3A1 ALA 219 HB3 0.02 0.03 0.02 -0.04 1.41 1.44 1jv3A1 PRO 220 HA 0.00 0.22 0.63 -0.51 4.44 4.79 1jv3A1 PRO 220 HB2 0.01 -0.09 0.00 -0.04 2.28 2.16 1jv3A1 PRO 220 HB3 -0.01 0.03 0.07 -0.04 2.02 2.07 1jv3A1 PRO 220 HG2 -0.00 0.09 0.13 -0.04 2.03 2.21 1jv3A1 PRO 220 HG3 -0.00 -0.08 0.14 -0.04 2.03 2.04 1jv3A1 PRO 220 HD2 0.01 0.12 0.23 -0.04 3.68 4.00 1jv3A1 PRO 220 HD3 0.01 0.12 0.22 -0.04 3.65 3.96 1jv3A1 ASP 221 H 0.01 0.38 0.16 -0.55 8.40 8.40 1jv3A1 ASP 221 HA 0.02 0.34 0.53 -0.75 4.63 4.76 1jv3A1 ASP 221 HB2 0.06 -0.00 0.11 -0.04 2.71 2.84 1jv3A1 ASP 221 HB3 0.04 0.03 -0.14 -0.04 2.70 2.58 1jv3A1 GLY 222 H 0.03 0.16 -0.60 -0.55 8.43 7.47 1jv3A1 GLY 222 HA2 0.08 0.03 0.34 -0.51 4.01 3.95 1jv3A1 GLY 222 HA3 0.08 0.21 0.73 -0.51 4.01 4.52 1jv3A1 ASN 223 H 0.05 0.19 0.17 -0.55 8.53 8.40 1jv3A1 ASN 223 HA -0.03 0.12 0.45 -0.75 4.76 4.55 1jv3A1 ASN 223 HB2 -0.03 0.04 0.14 -0.04 2.88 3.00 1jv3A1 ASN 223 HB3 -0.02 0.02 0.12 -0.04 2.79 2.86 1jv3A1 ASN 223 HD21 -0.11 0.03 0.04 -0.04 7.03 6.95 1jv3A1 ASN 223 HD22 -0.03 0.05 0.05 -0.04 7.74 7.77 1jv3A1 GLY 224 H 0.05 0.69 -0.50 -0.55 8.43 8.12 1jv3A1 GLY 224 HA2 -0.01 0.09 0.07 -0.51 4.01 3.65 1jv3A1 GLY 224 HA3 0.06 0.04 -0.49 -0.51 4.01 3.11 1jv3A1 GLY 225 H -0.02 0.54 -0.70 -0.55 8.43 7.70 1jv3A1 GLY 225 HA2 0.01 0.11 0.38 -0.51 4.01 4.01 1jv3A1 GLY 225 HA3 -0.01 0.08 0.18 -0.51 4.01 3.75 1jv3A1 LEU 226 H -0.20 0.30 -0.71 -0.55 8.37 7.22 1jv3A1 LEU 226 HA -0.04 0.03 0.34 -0.75 4.35 3.93 1jv3A1 LEU 226 HB2 -0.19 0.04 0.07 -0.04 1.64 1.52 1jv3A1 LEU 226 HB3 -0.73 0.01 0.02 -0.04 1.64 0.90 1jv3A1 LEU 226 HG -0.37 0.01 -0.39 -0.04 1.64 0.85 1jv3A1 LEU 226 HD13 0.18 -0.01 -0.07 -0.04 0.93 0.98 1jv3A1 LEU 226 HD23 -0.12 0.00 -0.09 -0.04 0.89 0.64 1jv3A1 TYR 227 H -0.45 0.33 -0.31 -0.55 8.29 7.31 1jv3A1 TYR 227 HA -0.03 0.06 0.35 -0.75 4.56 4.18 1jv3A1 TYR 227 HB2 -0.04 0.09 0.04 -0.04 3.06 3.12 1jv3A1 TYR 227 HB3 -0.07 0.05 -0.06 -0.04 2.98 2.87 1jv3A1 TYR 227 HD2 -0.08 0.10 -0.02 -0.04 7.15 7.11 1jv3A1 TYR 227 HE2 -0.16 -0.00 -0.02 -0.04 6.85 6.62 1jv3A1 ARG 228 H 0.08 0.18 -0.15 -0.55 8.46 8.01 1jv3A1 ARG 228 HA 0.06 0.15 0.52 -0.75 4.34 4.32 1jv3A1 ARG 228 HB2 0.06 -0.00 0.09 -0.04 1.90 2.00 1jv3A1 ARG 228 HB3 0.06 0.01 0.04 -0.04 1.80 1.87 1jv3A1 ARG 228 HG2 0.06 0.04 -0.03 -0.04 1.67 1.70 1jv3A1 ARG 228 HG3 0.06 0.02 -0.01 -0.04 1.67 1.71 1jv3A1 ARG 228 HD2 0.07 -0.00 0.02 -0.04 3.22 3.27 1jv3A1 ARG 228 HD3 0.09 0.06 -0.03 -0.04 3.22 3.30 1jv3A1 ALA 229 H 0.06 0.32 -0.41 -0.55 8.40 7.83 1jv3A1 ALA 229 HA 0.11 0.09 0.51 -0.75 4.34 4.30 1jv3A1 ALA 229 HB3 0.20 0.01 0.01 -0.04 1.41 1.58 1jv3A1 LEU 230 H 0.09 0.62 -0.09 -0.55 8.37 8.44 1jv3A1 LEU 230 HA -0.22 -0.02 0.31 -0.75 4.35 3.66 1jv3A1 LEU 230 HB2 -0.00 0.21 0.12 -0.04 1.64 1.93 1jv3A1 LEU 230 HB3 -0.11 -0.14 -0.05 -0.04 1.64 1.30 1jv3A1 LEU 230 HG 0.01 0.29 -0.05 -0.04 1.64 1.85 1jv3A1 LEU 230 HD13 0.00 -0.02 -0.13 -0.04 0.93 0.74 1jv3A1 LEU 230 HD23 -0.39 -0.03 -0.12 -0.04 0.89 0.31 1jv3A1 ALA 231 H 0.02 0.35 -0.36 -0.55 8.40 7.87 1jv3A1 ALA 231 HA -0.03 0.00 0.51 -0.75 4.34 4.07 1jv3A1 ALA 231 HB3 0.00 0.05 0.11 -0.04 1.41 1.54 1jv3A1 ALA 232 H 0.04 0.51 -0.08 -0.55 8.40 8.32 1jv3A1 ALA 232 HA 0.02 0.05 0.37 -0.75 4.34 4.02 1jv3A1 ALA 232 HB3 0.05 0.00 0.15 -0.04 1.41 1.57 1jv3A1 GLN 233 H 0.01 0.25 -0.51 -0.55 8.47 7.68 1jv3A1 GLN 233 HA 0.03 0.25 0.99 -0.75 4.36 4.87 1jv3A1 GLN 233 HB2 0.08 0.09 0.03 -0.04 2.15 2.31 1jv3A1 GLN 233 HB3 0.04 -0.03 0.15 -0.04 2.02 2.14 1jv3A1 GLN 233 HG2 0.10 -0.01 0.06 -0.04 2.40 2.50 1jv3A1 GLN 233 HG3 0.07 0.12 -0.15 -0.04 2.39 2.39 1jv3A1 GLN 233 HE21 0.24 0.29 0.04 -0.04 6.97 7.50 1jv3A1 GLN 233 HE22 0.18 0.20 0.00 -0.04 7.69 8.03 1jv3A1 ASN 234 H -0.02 0.42 -0.21 -0.55 8.53 8.16 1jv3A1 ASN 234 HA -0.04 0.04 0.38 -0.75 4.76 4.38 1jv3A1 ASN 234 HB2 -0.01 0.17 -0.21 -0.04 2.88 2.79 1jv3A1 ASN 234 HB3 -0.02 -0.12 0.21 -0.04 2.79 2.82 1jv3A1 ASN 234 HD21 -0.00 0.02 -0.06 -0.04 7.03 6.95 1jv3A1 ASN 234 HD22 0.00 0.01 -0.23 -0.04 7.74 7.49 1jv3A1 ILE 235 H -0.15 0.34 -0.22 -0.55 8.25 7.68 1jv3A1 ILE 235 HA -0.13 0.13 0.32 -0.75 4.18 3.75 1jv3A1 ILE 235 HB -0.40 -0.06 0.03 -0.04 1.89 1.41 1jv3A1 ILE 235 HG12 -0.34 0.03 -0.08 -0.04 1.49 1.06 1jv3A1 ILE 235 HG13 -1.43 -0.04 -0.13 -0.04 1.21 -0.43 1jv3A1 ILE 235 HG23 -0.65 -0.00 -0.15 -0.04 0.93 0.09 1jv3A1 ILE 235 HD13 -0.18 0.04 -0.12 -0.04 0.88 0.58 1jv3A1 VAL 236 H -0.14 0.19 -0.20 -0.55 8.24 7.55 1jv3A1 VAL 236 HA -0.15 0.07 0.35 -0.75 4.13 3.65 1jv3A1 VAL 236 HB -0.08 0.02 -0.03 -0.04 2.12 1.99 1jv3A1 VAL 236 HG13 -0.07 0.01 -0.14 -0.04 0.97 0.73 1jv3A1 VAL 236 HG23 -0.11 0.01 -0.13 -0.04 0.95 0.67 1jv3A1 GLU 237 H -0.06 0.13 -0.30 -0.55 8.60 7.83 1jv3A1 GLU 237 HA -0.02 0.04 0.39 -0.75 4.29 3.95 1jv3A1 GLU 237 HB2 -0.02 0.28 0.17 -0.04 2.09 2.48 1jv3A1 GLU 237 HB3 -0.01 -0.00 0.01 -0.04 1.99 1.95 1jv3A1 GLU 237 HG2 -0.01 0.03 0.04 -0.04 2.34 2.35 1jv3A1 GLU 237 HG3 -0.02 -0.00 0.03 -0.04 2.34 2.31 1jv3A1 ASP 238 H -0.02 0.41 -0.20 -0.55 8.40 8.05 1jv3A1 ASP 238 HA 0.04 0.02 0.34 -0.75 4.63 4.27 1jv3A1 ASP 238 HB2 0.05 0.05 0.10 -0.04 2.71 2.87 1jv3A1 ASP 238 HB3 0.15 0.12 0.10 -0.04 2.70 3.02 1jv3A1 MET 239 H -0.04 0.42 -0.19 -0.55 8.47 8.12 1jv3A1 MET 239 HA 0.12 0.04 0.37 -0.75 4.52 4.29 1jv3A1 MET 239 HB2 -0.09 0.07 0.07 -0.04 2.15 2.17 1jv3A1 MET 239 HB3 -0.04 -0.01 -0.07 -0.04 2.03 1.87 1jv3A1 MET 239 HG2 -0.37 -0.02 -0.10 -0.04 2.63 2.10 1jv3A1 MET 239 HG3 -0.39 0.23 -0.01 -0.04 2.56 2.35 1jv3A1 MET 239 HE3 -0.63 -0.02 -0.19 -0.04 2.10 1.22 1jv3A1 GLU 240 H -0.00 0.55 -0.15 -0.55 8.60 8.45 1jv3A1 GLU 240 HA 0.04 0.09 0.51 -0.75 4.29 4.17 1jv3A1 GLU 240 HB2 0.01 0.07 0.17 -0.04 2.09 2.30 1jv3A1 GLU 240 HB3 0.02 -0.03 0.01 -0.04 1.99 1.95 1jv3A1 GLU 240 HG2 0.02 -0.01 -0.02 -0.04 2.34 2.28 1jv3A1 GLU 240 HG3 -0.02 0.07 0.01 -0.04 2.34 2.36 1jv3A1 GLN 241 H 0.03 0.59 -0.08 -0.55 8.47 8.46 1jv3A1 GLN 241 HA 0.03 0.01 0.40 -0.75 4.36 4.03 1jv3A1 GLN 241 HB2 0.02 0.01 0.10 -0.04 2.15 2.23 1jv3A1 GLN 241 HB3 0.03 0.08 0.11 -0.04 2.02 2.21 1jv3A1 GLN 241 HG2 0.02 0.03 -0.02 -0.04 2.40 2.39 1jv3A1 GLN 241 HG3 0.02 -0.06 0.02 -0.04 2.39 2.32 1jv3A1 GLN 241 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.88 1jv3A1 GLN 241 HE22 0.01 -0.03 -0.02 -0.04 7.69 7.62 1jv3A1 ARG 242 H 0.06 0.45 -0.16 -0.55 8.46 8.25 1jv3A1 ARG 242 HA 0.04 0.01 0.42 -0.75 4.34 4.06 1jv3A1 ARG 242 HB2 0.09 0.01 0.10 -0.04 1.90 2.06 1jv3A1 ARG 242 HB3 0.06 0.01 0.06 -0.04 1.80 1.89 1jv3A1 ARG 242 HG2 0.04 -0.04 0.02 -0.04 1.67 1.64 1jv3A1 ARG 242 HG3 0.07 0.12 0.07 -0.04 1.67 1.89 1jv3A1 ARG 242 HD2 0.16 -0.04 -0.09 -0.04 3.22 3.21 1jv3A1 ARG 242 HD3 0.05 -0.00 -0.02 -0.04 3.22 3.20 1jv3A1 GLY 243 H 0.05 0.16 -0.71 -0.55 8.43 7.39 1jv3A1 GLY 243 HA2 0.07 0.01 0.27 -0.51 4.01 3.85 1jv3A1 GLY 243 HA3 0.05 0.10 0.64 -0.51 4.01 4.29 1jv3A1 ILE 244 H 0.08 0.48 0.05 -0.55 8.25 8.31 1jv3A1 ILE 244 HA 0.11 0.13 0.42 -0.75 4.18 4.09 1jv3A1 ILE 244 HB 0.06 -0.09 -0.02 -0.04 1.89 1.80 1jv3A1 ILE 244 HG12 0.10 0.03 -0.08 -0.04 1.49 1.50 1jv3A1 ILE 244 HG13 0.17 -0.12 -0.10 -0.04 1.21 1.12 1jv3A1 ILE 244 HG23 0.08 -0.06 -0.34 -0.04 0.93 0.57 1jv3A1 ILE 244 HD13 0.09 0.06 -0.30 -0.04 0.88 0.69 1jv3A1 TRP 245 H 0.24 0.48 0.36 -0.55 7.97 8.50 1jv3A1 TRP 245 HA 0.01 0.13 1.10 -0.75 4.62 5.11 1jv3A1 TRP 245 HB2 0.01 0.06 0.07 -0.04 3.23 3.34 1jv3A1 TRP 245 HB3 0.01 0.09 0.23 -0.04 3.23 3.52 1jv3A1 TRP 245 HD1 0.09 0.02 -0.14 -0.04 7.22 7.14 1jv3A1 TRP 245 HE1 0.15 0.04 -0.05 -0.04 10.20 10.29 1jv3A1 TRP 245 HE3 0.02 0.09 0.08 -0.04 7.59 7.74 1jv3A1 TRP 245 HZ2 0.07 0.07 -0.01 -0.04 7.44 7.53 1jv3A1 TRP 245 HZ3 0.03 -0.01 0.04 -0.04 7.13 7.16 1jv3A1 TRP 245 HH2 0.05 -0.00 0.02 -0.04 7.19 7.21 1jv3A1 SER 246 H 0.13 0.58 0.37 -0.55 8.46 8.99 1jv3A1 SER 246 HA -0.47 0.17 1.13 -0.75 4.49 4.55 1jv3A1 SER 246 HB2 0.18 0.04 0.11 -0.04 3.95 4.25 1jv3A1 SER 246 HB3 0.05 -0.04 -0.08 -0.04 3.93 3.82 1jv3A1 ILE 247 H -0.41 0.75 0.33 -0.55 8.25 8.37 1jv3A1 ILE 247 HA 0.05 0.33 1.02 -0.75 4.18 4.83 1jv3A1 ILE 247 HB 0.02 -0.01 0.02 -0.04 1.89 1.88 1jv3A1 ILE 247 HG12 -0.12 -0.02 -0.46 -0.04 1.49 0.85 1jv3A1 ILE 247 HG13 -0.07 -0.06 -0.26 -0.04 1.21 0.78 1jv3A1 ILE 247 HG23 0.11 -0.03 -0.37 -0.04 0.93 0.60 1jv3A1 ILE 247 HD13 -0.02 0.04 -0.26 -0.04 0.88 0.60 1jv3A1 HIS 248 H 0.22 0.62 0.33 -0.55 8.41 9.03 1jv3A1 HIS 248 HA 0.11 0.24 0.99 -0.75 4.63 5.22 1jv3A1 HIS 248 HB2 0.16 0.03 0.04 -0.04 3.26 3.46 1jv3A1 HIS 248 HB3 0.18 -0.02 0.29 -0.04 3.20 3.60 1jv3A1 HIS 248 HD2 0.33 0.26 -0.06 -0.04 6.97 7.46 1jv3A1 HIS 248 HE1 -0.04 0.13 -0.16 -0.04 7.75 7.64 1jv3A1 VAL 249 H 0.16 0.69 0.30 -0.55 8.24 8.84 1jv3A1 VAL 249 HA 0.10 0.31 0.93 -0.75 4.13 4.72 1jv3A1 VAL 249 HB 0.13 -0.06 0.09 -0.04 2.12 2.23 1jv3A1 VAL 249 HG13 0.18 -0.01 -0.09 -0.04 0.97 1.00 1jv3A1 VAL 249 HG23 0.32 0.01 -0.15 -0.04 0.95 1.08 1jv3A1 TYR 250 H -0.14 0.52 0.42 -0.55 8.29 8.54 1jv3A1 TYR 250 HA -0.08 0.33 0.84 -0.75 4.56 4.89 1jv3A1 TYR 250 HB2 -0.02 0.03 0.17 -0.04 3.06 3.19 1jv3A1 TYR 250 HB3 -0.38 0.02 -0.18 -0.04 2.98 2.39 1jv3A1 TYR 250 HD2 -0.14 0.16 -0.21 -0.04 7.15 6.92 1jv3A1 TYR 250 HE2 0.13 0.02 -0.16 -0.04 6.85 6.81 1jv3A1 CYS 251 H 0.15 0.39 0.32 -0.55 8.50 8.81 1jv3A1 CYS 251 HA -0.02 0.04 0.81 -0.75 4.58 4.65 1jv3A1 CYS 251 HB2 0.05 0.01 0.16 -0.04 2.97 3.15 1jv3A1 CYS 251 HB3 0.11 0.13 0.21 -0.04 2.97 3.38 1jv3A1 VAL 252 H -0.01 0.28 0.31 -0.55 8.24 8.27 1jv3A1 VAL 252 HA 0.13 0.15 0.30 -0.75 4.13 3.95 1jv3A1 VAL 252 HB -0.00 0.15 0.14 -0.04 2.12 2.36 1jv3A1 VAL 252 HG13 -0.04 -0.02 0.02 -0.04 0.97 0.89 1jv3A1 VAL 252 HG23 -0.11 -0.01 -0.03 -0.04 0.95 0.75 1jv3A1 ASP 253 H 0.03 0.04 -0.23 -0.55 8.40 7.69 1jv3A1 ASP 253 HA -0.04 0.20 0.38 -0.75 4.63 4.42 1jv3A1 ASP 253 HB2 -0.07 0.16 0.26 -0.04 2.71 3.02 1jv3A1 ASP 253 HB3 -0.04 -0.05 0.10 -0.04 2.70 2.67 1jv3A1 ASN 254 H 0.07 0.31 -0.31 -0.55 8.53 8.05 1jv3A1 ASN 254 HA -0.06 0.15 0.58 -0.75 4.76 4.67 1jv3A1 ASN 254 HB2 0.13 -0.01 -0.03 -0.04 2.88 2.94 1jv3A1 ASN 254 HB3 0.13 0.13 0.14 -0.04 2.79 3.14 1jv3A1 ASN 254 HD21 0.19 0.69 0.09 -0.04 7.03 7.96 1jv3A1 ASN 254 HD22 0.20 0.01 0.03 -0.04 7.74 7.94 1jv3A1 ILE 255 H -0.07 0.38 0.17 -0.55 8.25 8.18 1jv3A1 ILE 255 HA -0.03 0.06 0.29 -0.75 4.18 3.75 1jv3A1 ILE 255 HB -0.07 -0.02 0.10 -0.04 1.89 1.86 1jv3A1 ILE 255 HG12 -0.09 -0.03 -0.07 -0.04 1.49 1.26 1jv3A1 ILE 255 HG13 -0.10 0.06 -0.02 -0.04 1.21 1.11 1jv3A1 ILE 255 HG23 -0.11 0.07 -0.05 -0.04 0.93 0.79 1jv3A1 ILE 255 HD13 -0.04 -0.01 0.01 -0.04 0.88 0.80 1jv3A1 LEU 256 H -0.04 -0.11 -0.57 -0.55 8.37 7.11 1jv3A1 LEU 256 HA -0.05 0.25 0.58 -0.75 4.35 4.38 1jv3A1 LEU 256 HB2 0.00 -0.12 -0.51 -0.04 1.64 0.97 1jv3A1 LEU 256 HB3 -0.01 0.20 -0.15 -0.04 1.64 1.63 1jv3A1 LEU 256 HG -0.10 -0.13 -0.22 -0.04 1.64 1.15 1jv3A1 LEU 256 HD13 -0.06 -0.02 -0.43 -0.04 0.93 0.38 1jv3A1 LEU 256 HD23 -0.16 0.04 -0.26 -0.04 0.89 0.48 1jv3A1 VAL 257 H 0.01 0.44 -0.28 -0.55 8.24 7.86 1jv3A1 VAL 257 HA 0.04 0.04 0.30 -0.75 4.13 3.76 1jv3A1 VAL 257 HB 0.09 -0.04 0.11 -0.04 2.12 2.24 1jv3A1 VAL 257 HG13 -0.01 0.04 0.02 -0.04 0.97 0.98 1jv3A1 VAL 257 HG23 -0.06 -0.03 -0.22 -0.04 0.95 0.60 1jv3A1 LYS 258 H 0.03 0.10 0.14 -0.55 8.42 8.14 1jv3A1 LYS 258 HA -0.10 0.19 0.60 -0.75 4.32 4.26 1jv3A1 LYS 258 HB2 0.08 -0.12 0.21 -0.04 1.87 2.00 1jv3A1 LYS 258 HB3 0.18 -0.06 0.09 -0.04 1.79 1.96 1jv3A1 LYS 258 HG2 -0.14 0.12 0.04 -0.04 1.46 1.44 1jv3A1 LYS 258 HG3 0.01 0.18 0.11 -0.04 1.46 1.72 1jv3A1 LYS 258 HD2 0.08 0.04 -0.02 -0.04 1.69 1.75 1jv3A1 LYS 258 HD3 0.11 -0.15 0.02 -0.04 1.68 1.62 1jv3A1 LYS 258 HE2 0.22 -0.05 -0.02 -0.04 2.99 3.10 1jv3A1 LYS 258 HE3 0.05 0.13 -0.01 -0.04 2.99 3.12 1jv3A1 VAL 259 H -0.05 0.39 0.02 -0.55 8.24 8.05 1jv3A1 VAL 259 HA -0.12 -0.05 0.30 -0.75 4.13 3.50 1jv3A1 VAL 259 HB -0.09 0.04 0.01 -0.04 2.12 2.04 1jv3A1 VAL 259 HG13 -0.30 0.00 -0.11 -0.04 0.97 0.53 1jv3A1 VAL 259 HG23 -0.45 0.05 -0.00 -0.04 0.95 0.50 1jv3A1 ALA 260 H 0.70 0.08 0.10 -0.55 8.40 8.73 1jv3A1 ALA 260 HA 0.20 -0.01 0.21 -0.75 4.34 3.99 1jv3A1 ALA 260 HB3 0.06 0.05 -0.12 -0.04 1.41 1.37 1jv3A1 ASP 261 H 0.05 0.33 -0.38 -0.55 8.40 7.85 1jv3A1 ASP 261 HA 0.23 0.14 0.25 -0.75 4.63 4.49 1jv3A1 ASP 261 HB2 0.16 0.22 0.10 -0.04 2.71 3.15 1jv3A1 ASP 261 HB3 0.08 -0.09 0.10 -0.04 2.70 2.75 1jv3A1 PRO 262 HA 0.03 0.09 0.35 -0.51 4.44 4.40 1jv3A1 PRO 262 HB2 0.06 0.10 0.07 -0.04 2.28 2.46 1jv3A1 PRO 262 HB3 -0.00 0.14 -0.02 -0.04 2.02 2.09 1jv3A1 PRO 262 HG2 0.06 -0.11 0.07 -0.04 2.03 2.01 1jv3A1 PRO 262 HG3 -0.09 0.10 0.05 -0.04 2.03 2.04 1jv3A1 PRO 262 HD2 0.04 0.03 0.17 -0.04 3.68 3.87 1jv3A1 PRO 262 HD3 -0.17 0.36 0.17 -0.04 3.65 3.96 1jv3A1 ARG 263 H 0.13 0.14 -0.27 -0.55 8.46 7.90 1jv3A1 ARG 263 HA 0.19 0.11 0.17 -0.75 4.34 4.06 1jv3A1 ARG 263 HB2 0.22 -0.03 0.01 -0.04 1.90 2.05 1jv3A1 ARG 263 HB3 0.31 0.01 -0.08 -0.04 1.80 2.00 1jv3A1 ARG 263 HG2 0.21 0.07 -0.02 -0.04 1.67 1.90 1jv3A1 ARG 263 HG3 0.17 -0.01 -0.01 -0.04 1.67 1.77 1jv3A1 ARG 263 HD2 0.20 -0.00 -0.02 -0.04 3.22 3.36 1jv3A1 ARG 263 HD3 0.21 -0.01 -0.02 -0.04 3.22 3.36 1jv3A1 PHE 264 H 0.12 0.13 -0.25 -0.55 8.34 7.78 1jv3A1 PHE 264 HA -0.92 0.04 0.30 -0.75 4.62 3.29 1jv3A1 PHE 264 HB2 -0.10 -0.03 -0.02 -0.04 3.15 2.96 1jv3A1 PHE 264 HB3 -0.17 0.13 0.00 -0.04 3.06 2.98 1jv3A1 PHE 264 HD2 -0.41 0.00 -0.13 -0.04 7.28 6.70 1jv3A1 PHE 264 HE2 0.03 0.00 -0.43 -0.04 7.38 6.94 1jv3A1 PHE 264 HZ 0.06 0.00 -0.45 -0.04 7.32 6.89 1jv3A1 ILE 265 H -0.07 0.59 -0.21 -0.55 8.25 8.01 1jv3A1 ILE 265 HA -0.46 0.01 0.30 -0.75 4.18 3.28 1jv3A1 ILE 265 HB -0.01 0.04 -0.02 -0.04 1.89 1.86 1jv3A1 ILE 265 HG12 0.13 -0.04 -0.16 -0.04 1.49 1.37 1jv3A1 ILE 265 HG13 -0.06 -0.04 -0.18 -0.04 1.21 0.89 1jv3A1 ILE 265 HG23 0.12 0.01 -0.21 -0.04 0.93 0.81 1jv3A1 ILE 265 HD13 0.07 0.03 -0.33 -0.04 0.88 0.60 1jv3A1 GLY 266 H -0.06 0.62 -0.28 -0.55 8.43 8.16 1jv3A1 GLY 266 HA2 -0.03 -0.02 0.30 -0.51 4.01 3.76 1jv3A1 GLY 266 HA3 0.07 0.40 0.42 -0.51 4.01 4.38 1jv3A1 PHE 267 H -0.31 0.49 -0.29 -0.55 8.34 7.67 1jv3A1 PHE 267 HA -1.52 0.01 0.34 -0.75 4.62 2.69 1jv3A1 PHE 267 HB2 -1.49 -0.02 0.03 -0.04 3.15 1.62 1jv3A1 PHE 267 HB3 -0.99 0.11 0.11 -0.04 3.06 2.25 1jv3A1 PHE 267 HD2 -1.54 -0.00 -0.14 -0.04 7.28 5.55 1jv3A1 PHE 267 HE2 -0.24 -0.03 -0.20 -0.04 7.38 6.87 1jv3A1 PHE 267 HZ -0.15 0.09 -0.11 -0.04 7.32 7.10 1jv3A1 CYS 268 H -0.63 0.53 -0.18 -0.55 8.50 7.67 1jv3A1 CYS 268 HA -0.82 0.00 0.25 -0.75 4.58 3.26 1jv3A1 CYS 268 HB2 -1.80 0.12 -0.00 -0.04 2.97 1.24 1jv3A1 CYS 268 HB3 -1.49 -0.02 -0.17 -0.04 2.97 1.24 1jv3A1 ILE 269 H -0.44 0.51 -0.31 -0.55 8.25 7.46 1jv3A1 ILE 269 HA -0.04 0.04 0.36 -0.75 4.18 3.79 1jv3A1 ILE 269 HB -0.06 0.05 0.11 -0.04 1.89 1.95 1jv3A1 ILE 269 HG12 -0.08 0.17 0.01 -0.04 1.49 1.55 1jv3A1 ILE 269 HG13 0.07 -0.04 -0.13 -0.04 1.21 1.07 1jv3A1 ILE 269 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.76 1jv3A1 ILE 269 HD13 0.38 -0.01 -0.06 -0.04 0.88 1.14 1jv3A1 GLN 270 H -0.20 0.67 -0.03 -0.55 8.47 8.37 1jv3A1 GLN 270 HA -0.04 -0.00 0.34 -0.75 4.36 3.91 1jv3A1 GLN 270 HB2 -0.13 0.06 0.07 -0.04 2.15 2.11 1jv3A1 GLN 270 HB3 0.10 0.00 0.04 -0.04 2.02 2.12 1jv3A1 GLN 270 HG2 0.05 0.15 0.15 -0.04 2.40 2.72 1jv3A1 GLN 270 HG3 0.48 -0.13 -0.08 -0.04 2.39 2.62 1jv3A1 GLN 270 HE21 0.04 -0.03 -0.01 -0.04 6.97 6.93 1jv3A1 GLN 270 HE22 0.04 0.01 -0.03 -0.04 7.69 7.66 1jv3A1 LYS 271 H -0.43 0.35 -0.53 -0.55 8.42 7.25 1jv3A1 LYS 271 HA -0.20 0.08 0.61 -0.75 4.32 4.07 1jv3A1 LYS 271 HB2 -0.60 0.02 -0.03 -0.04 1.87 1.22 1jv3A1 LYS 271 HB3 -0.37 -0.03 0.04 -0.04 1.79 1.39 1jv3A1 LYS 271 HG2 -0.99 0.16 -0.05 -0.04 1.46 0.54 1jv3A1 LYS 271 HG3 -1.45 -0.11 -0.12 -0.04 1.46 -0.26 1jv3A1 LYS 271 HD2 -0.23 0.03 -0.04 -0.04 1.69 1.41 1jv3A1 LYS 271 HD3 -0.19 0.05 -0.09 -0.04 1.68 1.41 1jv3A1 LYS 271 HE2 -0.11 -0.02 -0.10 -0.04 2.99 2.72 1jv3A1 LYS 271 HE3 -0.08 -0.06 -0.11 -0.04 2.99 2.71 1jv3A1 GLY 272 H -0.14 0.57 -0.28 -0.55 8.43 8.04 1jv3A1 GLY 272 HA2 0.01 0.02 0.31 -0.51 4.01 3.84 1jv3A1 GLY 272 HA3 -0.03 -0.02 0.36 -0.51 4.01 3.81 1jv3A1 ALA 273 H -0.17 0.47 -0.08 -0.55 8.40 8.07 1jv3A1 ALA 273 HA -0.06 0.14 0.63 -0.75 4.34 4.29 1jv3A1 ALA 273 HB3 -0.24 -0.02 -0.02 -0.04 1.41 1.10 1jv3A1 ASP 274 H -0.03 0.38 0.37 -0.55 8.40 8.57 1jv3A1 ASP 274 HA 0.11 0.22 0.96 -0.75 4.63 5.16 1jv3A1 ASP 274 HB2 -0.10 -0.12 0.21 -0.04 2.71 2.66 1jv3A1 ASP 274 HB3 -0.00 0.12 0.09 -0.04 2.70 2.86 1jv3A1 CYS 275 H 0.01 0.40 0.21 -0.55 8.50 8.57 1jv3A1 CYS 275 HA 0.36 0.40 0.94 -0.75 4.58 5.53 1jv3A1 CYS 275 HB2 -0.16 -0.01 -0.22 -0.04 2.97 2.54 1jv3A1 CYS 275 HB3 0.10 -0.05 0.02 -0.04 2.97 3.01 1jv3A1 GLY 276 H 0.16 0.60 0.41 -0.55 8.43 9.05 1jv3A1 GLY 276 HA2 -0.47 0.31 1.05 -0.51 4.01 4.38 1jv3A1 GLY 276 HA3 -0.10 -0.00 0.30 -0.51 4.01 3.70 1jv3A1 ALA 277 H -0.22 0.58 0.37 -0.55 8.40 8.58 1jv3A1 ALA 277 HA 0.35 0.18 1.16 -0.75 4.34 5.28 1jv3A1 ALA 277 HB3 0.14 -0.01 -0.01 -0.04 1.41 1.50 1jv3A1 LYS 278 H 0.03 0.68 0.37 -0.55 8.42 8.94 1jv3A1 LYS 278 HA -0.25 0.25 0.89 -0.75 4.32 4.45 1jv3A1 LYS 278 HB2 -1.20 -0.04 0.06 -0.04 1.87 0.65 1jv3A1 LYS 278 HB3 -0.29 -0.06 0.18 -0.04 1.79 1.58 1jv3A1 LYS 278 HG2 -0.21 -0.00 -0.19 -0.04 1.46 1.02 1jv3A1 LYS 278 HG3 -0.28 0.09 0.05 -0.04 1.46 1.27 1jv3A1 LYS 278 HD2 -0.23 -0.02 -0.04 -0.04 1.69 1.36 1jv3A1 LYS 278 HD3 -0.13 0.00 -0.08 -0.04 1.68 1.44 1jv3A1 LYS 278 HE2 -0.09 -0.02 -0.09 -0.04 2.99 2.75 1jv3A1 LYS 278 HE3 -0.88 -0.01 -0.07 -0.04 2.99 1.99 1jv3A1 VAL 279 H -0.16 0.69 0.41 -0.55 8.24 8.63 1jv3A1 VAL 279 HA -0.12 0.19 0.93 -0.75 4.13 4.38 1jv3A1 VAL 279 HB -0.05 0.03 -0.17 -0.04 2.12 1.89 1jv3A1 VAL 279 HG13 0.03 -0.01 -0.49 -0.04 0.97 0.46 1jv3A1 VAL 279 HG23 -0.07 -0.02 -0.27 -0.04 0.95 0.54 1jv3A1 VAL 280 H -0.14 0.58 0.30 -0.55 8.24 8.43 1jv3A1 VAL 280 HA -0.09 0.26 0.93 -0.75 4.13 4.47 1jv3A1 VAL 280 HB -0.02 -0.08 0.14 -0.04 2.12 2.12 1jv3A1 VAL 280 HG13 -0.07 0.00 -0.25 -0.04 0.97 0.62 1jv3A1 VAL 280 HG23 -0.11 0.03 -0.16 -0.04 0.95 0.67 1jv3A1 GLU 281 H -0.04 0.09 0.19 -0.55 8.60 8.29 1jv3A1 GLU 281 HA -0.02 0.33 0.66 -0.75 4.29 4.50 1jv3A1 GLU 281 HB2 -0.03 -0.02 0.11 -0.04 2.09 2.11 1jv3A1 GLU 281 HB3 -0.02 -0.09 0.18 -0.04 1.99 2.02 1jv3A1 GLU 281 HG2 -0.00 -0.08 -0.38 -0.04 2.34 1.84 1jv3A1 GLU 281 HG3 -0.01 0.19 -0.06 -0.04 2.34 2.42 1jv3A1 LYS 282 H 0.00 0.51 0.37 -0.55 8.42 8.74 1jv3A1 LYS 282 HA 0.02 0.01 0.65 -0.75 4.32 4.25 1jv3A1 LYS 282 HB2 0.02 -0.05 0.01 -0.04 1.87 1.81 1jv3A1 LYS 282 HB3 0.03 0.01 0.18 -0.04 1.79 1.97 1jv3A1 LYS 282 HG2 0.03 0.01 -0.32 -0.04 1.46 1.14 1jv3A1 LYS 282 HG3 0.03 -0.09 0.01 -0.04 1.46 1.37 1jv3A1 LYS 282 HD2 0.05 -0.06 -0.08 -0.04 1.69 1.56 1jv3A1 LYS 282 HD3 0.07 0.18 -0.00 -0.04 1.68 1.89 1jv3A1 LYS 282 HE2 0.04 0.07 -0.02 -0.04 2.99 3.04 1jv3A1 LYS 282 HE3 0.04 0.02 0.02 -0.04 2.99 3.04 1jv3A1 THR 283 H 0.02 0.00 0.19 -0.55 8.28 7.95 1jv3A1 THR 283 HA 0.01 0.24 1.04 -0.75 4.39 4.92 1jv3A1 THR 283 HB 0.01 0.03 0.02 -0.04 4.32 4.34 1jv3A1 THR 283 HG23 0.00 0.01 -0.16 -0.04 1.22 1.03 1jv3A1 ASN 284 H 0.02 -0.04 0.16 -0.55 8.53 8.12 1jv3A1 ASN 284 HA 0.01 0.22 0.72 -0.75 4.76 4.95 1jv3A1 ASN 284 HB2 0.01 0.03 0.10 -0.04 2.88 2.97 1jv3A1 ASN 284 HB3 0.01 -0.06 0.18 -0.04 2.79 2.87 1jv3A1 ASN 284 HD21 -0.00 0.04 -0.05 -0.04 7.03 6.97 1jv3A1 ASN 284 HD22 -0.00 0.00 -0.02 -0.04 7.74 7.68 1jv3A1 PRO 285 HA 0.04 0.23 0.32 -0.51 4.44 4.53 1jv3A1 PRO 285 HB2 0.02 -0.07 -0.03 -0.04 2.28 2.15 1jv3A1 PRO 285 HB3 0.03 0.05 -0.22 -0.04 2.02 1.84 1jv3A1 PRO 285 HG2 0.02 0.00 0.07 -0.04 2.03 2.08 1jv3A1 PRO 285 HG3 0.03 0.18 0.07 -0.04 2.03 2.27 1jv3A1 PRO 285 HD2 0.01 0.01 0.22 -0.04 3.68 3.88 1jv3A1 PRO 285 HD3 0.02 0.40 0.34 -0.04 3.65 4.36 1jv3A1 THR 286 H 0.02 0.02 -0.34 -0.55 8.28 7.43 1jv3A1 THR 286 HA 0.03 0.29 0.83 -0.75 4.39 4.79 1jv3A1 THR 286 HB 0.01 0.00 0.11 -0.04 4.32 4.41 1jv3A1 THR 286 HG23 0.02 -0.00 -0.10 -0.04 1.22 1.09 1jv3A1 GLU 287 H 0.01 0.48 -0.28 -0.55 8.60 8.26 1jv3A1 GLU 287 HA -0.03 0.04 0.40 -0.75 4.29 3.95 1jv3A1 GLU 287 HB2 0.01 -0.08 0.13 -0.04 2.09 2.11 1jv3A1 GLU 287 HB3 0.02 0.05 0.09 -0.04 1.99 2.11 1jv3A1 GLU 287 HG2 0.01 0.01 -0.33 -0.04 2.34 1.98 1jv3A1 GLU 287 HG3 0.01 -0.01 -0.00 -0.04 2.34 2.29 1jv3A1 PRO 288 HA -0.36 0.15 0.52 -0.51 4.44 4.25 1jv3A1 PRO 288 HB2 -0.93 -0.06 0.18 -0.04 2.28 1.43 1jv3A1 PRO 288 HB3 -0.48 0.07 0.08 -0.04 2.02 1.65 1jv3A1 PRO 288 HG2 -0.18 -0.02 0.06 -0.04 2.03 1.84 1jv3A1 PRO 288 HG3 -0.18 0.02 0.06 -0.04 2.03 1.89 1jv3A1 PRO 288 HD2 -0.07 0.01 0.17 -0.04 3.68 3.74 1jv3A1 PRO 288 HD3 -0.10 0.26 0.20 -0.04 3.65 3.97 1jv3A1 VAL 289 H 0.01 0.71 0.02 -0.55 8.24 8.44 1jv3A1 VAL 289 HA 0.08 0.09 0.85 -0.75 4.13 4.39 1jv3A1 VAL 289 HB -0.01 0.09 0.01 -0.04 2.12 2.17 1jv3A1 VAL 289 HG13 0.05 -0.03 -0.21 -0.04 0.97 0.75 1jv3A1 VAL 289 HG23 0.02 0.00 -0.11 -0.04 0.95 0.82 1jv3A1 GLY 290 H 0.14 0.06 0.13 -0.55 8.43 8.22 1jv3A1 GLY 290 HA2 0.04 0.17 0.59 -0.51 4.01 4.30 1jv3A1 GLY 290 HA3 -0.08 -0.10 0.24 -0.51 4.01 3.56 1jv3A1 VAL 291 H -0.07 0.51 0.23 -0.55 8.24 8.36 1jv3A1 VAL 291 HA 0.02 0.29 1.13 -0.75 4.13 4.82 1jv3A1 VAL 291 HB 0.12 0.00 -0.07 -0.04 2.12 2.13 1jv3A1 VAL 291 HG13 0.07 0.04 -0.21 -0.04 0.97 0.83 1jv3A1 VAL 291 HG23 -0.08 0.00 -0.02 -0.04 0.95 0.82 1jv3A1 VAL 292 H 0.07 0.58 0.27 -0.55 8.24 8.61 1jv3A1 VAL 292 HA 0.07 0.18 0.79 -0.75 4.13 4.41 1jv3A1 VAL 292 HB 0.15 -0.05 0.09 -0.04 2.12 2.27 1jv3A1 VAL 292 HG13 0.33 0.01 -0.06 -0.04 0.97 1.21 1jv3A1 VAL 292 HG23 0.18 -0.01 -0.09 -0.04 0.95 0.99 1jv3A1 CYS 293 H 0.12 0.73 0.42 -0.55 8.50 9.22 1jv3A1 CYS 293 HA 0.22 -0.01 0.42 -0.75 4.58 4.45 1jv3A1 CYS 293 HB2 0.24 0.14 0.09 -0.04 2.97 3.39 1jv3A1 CYS 293 HB3 0.22 0.08 -0.32 -0.04 2.97 2.91 1jv3A1 ARG 294 H 0.10 0.66 0.24 -0.55 8.46 8.90 1jv3A1 ARG 294 HA -0.08 0.27 0.69 -0.75 4.34 4.46 1jv3A1 ARG 294 HB2 -0.36 -0.04 -0.39 -0.04 1.90 1.07 1jv3A1 ARG 294 HB3 -0.46 -0.02 -0.32 -0.04 1.80 0.96 1jv3A1 ARG 294 HG2 0.02 0.09 -0.23 -0.04 1.67 1.51 1jv3A1 ARG 294 HG3 -0.06 -0.05 -0.16 -0.04 1.67 1.36 1jv3A1 ARG 294 HD2 -0.27 -0.07 -0.19 -0.04 3.22 2.65 1jv3A1 ARG 294 HD3 -0.44 0.00 -0.16 -0.04 3.22 2.59 1jv3A1 VAL 295 H -0.11 0.67 0.13 -0.55 8.24 8.38 1jv3A1 VAL 295 HA -0.04 0.31 0.80 -0.75 4.13 4.45 1jv3A1 VAL 295 HB -0.04 0.01 -0.18 -0.04 2.12 1.86 1jv3A1 VAL 295 HG13 -0.07 -0.02 -0.06 -0.04 0.97 0.79 1jv3A1 VAL 295 HG23 -0.04 0.03 -0.16 -0.04 0.95 0.74 1jv3A1 ASP 296 H -0.05 0.27 0.11 -0.55 8.40 8.18 1jv3A1 ASP 296 HA -0.04 0.04 0.33 -0.75 4.63 4.21 1jv3A1 ASP 296 HB2 -0.06 0.17 0.01 -0.04 2.71 2.79 1jv3A1 ASP 296 HB3 -0.04 0.00 0.21 -0.04 2.70 2.83 1jv3A1 GLY 297 H -0.10 0.07 -0.26 -0.55 8.43 7.60 1jv3A1 GLY 297 HA2 -0.16 -0.02 0.21 -0.51 4.01 3.52 1jv3A1 GLY 297 HA3 -0.10 0.10 0.35 -0.51 4.01 3.85 1jv3A1 VAL 298 H -0.15 0.36 -0.77 -0.55 8.24 7.12 1jv3A1 VAL 298 HA -0.18 0.17 0.79 -0.75 4.13 4.16 1jv3A1 VAL 298 HB -0.13 0.01 0.10 -0.04 2.12 2.06 1jv3A1 VAL 298 HG13 -0.16 0.05 0.00 -0.04 0.97 0.83 1jv3A1 VAL 298 HG23 -0.09 0.05 -0.02 -0.04 0.95 0.85 1jv3A1 TYR 299 H -0.09 0.20 0.12 -0.55 8.29 7.97 1jv3A1 TYR 299 HA -0.11 0.18 0.64 -0.75 4.56 4.52 1jv3A1 TYR 299 HB2 -0.52 0.03 -0.00 -0.04 3.06 2.53 1jv3A1 TYR 299 HB3 -0.74 -0.04 0.00 -0.04 2.98 2.16 1jv3A1 TYR 299 HD2 0.03 0.05 -0.07 -0.04 7.15 7.13 1jv3A1 TYR 299 HE2 0.10 -0.02 -0.04 -0.04 6.85 6.85 1jv3A1 GLN 300 H 0.04 0.71 0.40 -0.55 8.47 9.08 1jv3A1 GLN 300 HA 0.01 -0.01 0.30 -0.75 4.36 3.90 1jv3A1 GLN 300 HB2 -0.05 -0.07 0.10 -0.04 2.15 2.09 1jv3A1 GLN 300 HB3 -0.06 0.20 0.02 -0.04 2.02 2.14 1jv3A1 GLN 300 HG2 -0.05 0.04 -0.28 -0.04 2.40 2.07 1jv3A1 GLN 300 HG3 -0.05 0.00 -0.37 -0.04 2.39 1.93 1jv3A1 GLN 300 HE21 -0.09 0.00 -0.09 -0.04 6.97 6.76 1jv3A1 GLN 300 HE22 -0.10 0.12 -0.40 -0.04 7.69 7.26 1jv3A1 VAL 301 H -0.19 0.23 0.12 -0.55 8.24 7.86 1jv3A1 VAL 301 HA -0.17 0.40 0.89 -0.75 4.13 4.49 1jv3A1 VAL 301 HB -1.75 -0.09 -0.04 -0.04 2.12 0.21 1jv3A1 VAL 301 HG13 -0.71 -0.02 -0.41 -0.04 0.97 -0.21 1jv3A1 VAL 301 HG23 -0.22 -0.01 -0.22 -0.04 0.95 0.47 1jv3A1 VAL 302 H -0.15 0.62 0.16 -0.55 8.24 8.32 1jv3A1 VAL 302 HA -0.05 0.14 0.76 -0.75 4.13 4.22 1jv3A1 VAL 302 HB -0.13 -0.01 0.11 -0.04 2.12 2.04 1jv3A1 VAL 302 HG13 -0.08 0.03 -0.18 -0.04 0.97 0.71 1jv3A1 VAL 302 HG23 -0.11 0.01 -0.17 -0.04 0.95 0.65 1jv3A1 GLU 303 H 0.03 0.18 0.01 -0.55 8.60 8.27 1jv3A1 GLU 303 HA -0.08 -0.03 0.36 -0.75 4.29 3.79 1jv3A1 GLU 303 HB2 0.12 0.03 0.05 -0.04 2.09 2.25 1jv3A1 GLU 303 HB3 0.00 0.06 0.00 -0.04 1.99 2.01 1jv3A1 GLU 303 HG2 -0.34 0.09 -0.04 -0.04 2.34 2.01 1jv3A1 GLU 303 HG3 -0.72 -0.17 -0.03 -0.04 2.34 1.38 1jv3A1 TYR 304 H -0.05 0.07 -0.04 -0.55 8.29 7.72 1jv3A1 TYR 304 HA -0.01 0.21 0.29 -0.75 4.56 4.29 1jv3A1 TYR 304 HB2 0.01 0.14 -0.03 -0.04 3.06 3.14 1jv3A1 TYR 304 HB3 0.00 0.13 -0.19 -0.04 2.98 2.88 1jv3A1 TYR 304 HD2 0.01 -0.01 -0.31 -0.04 7.15 6.79 1jv3A1 TYR 304 HE2 0.00 -0.00 -0.05 -0.04 6.85 6.76 1jv3A1 SER 305 H -0.64 -0.04 -0.34 -0.55 8.46 6.90 1jv3A1 SER 305 HA 0.02 0.20 0.53 -0.75 4.49 4.48 1jv3A1 SER 305 HB2 -0.06 0.07 0.07 -0.04 3.95 3.99 1jv3A1 SER 305 HB3 -0.12 0.01 0.03 -0.04 3.93 3.81 1jv3A1 GLU 306 H -0.06 0.45 -0.51 -0.55 8.60 7.94 1jv3A1 GLU 306 HA -0.03 0.25 0.91 -0.75 4.29 4.66 1jv3A1 GLU 306 HB2 0.01 -0.06 -0.02 -0.04 2.09 1.98 1jv3A1 GLU 306 HB3 -0.00 0.02 0.13 -0.04 1.99 2.10 1jv3A1 GLU 306 HG2 0.02 0.13 -0.10 -0.04 2.34 2.35 1jv3A1 GLU 306 HG3 0.02 -0.17 -0.41 -0.04 2.34 1.74 1jv3A1 ILE 307 H -0.02 0.24 -0.18 -0.55 8.25 7.74 1jv3A1 ILE 307 HA -0.06 0.09 0.77 -0.75 4.18 4.23 1jv3A1 ILE 307 HB -0.05 0.02 -0.05 -0.04 1.89 1.77 1jv3A1 ILE 307 HG12 -0.05 0.11 -0.01 -0.04 1.49 1.50 1jv3A1 ILE 307 HG13 -0.13 -0.08 0.07 -0.04 1.21 1.02 1jv3A1 ILE 307 HG23 0.02 0.09 -0.06 -0.04 0.93 0.94 1jv3A1 ILE 307 HD13 -0.09 0.02 -0.10 -0.04 0.88 0.66 1jv3A1 SER 308 H -0.05 0.07 0.14 -0.55 8.46 8.08 1jv3A1 SER 308 HA -0.01 0.22 0.61 -0.75 4.49 4.56 1jv3A1 SER 308 HB2 -0.01 -0.02 0.11 -0.04 3.95 3.99 1jv3A1 SER 308 HB3 -0.03 0.13 0.08 -0.04 3.93 4.08 1jv3A1 LEU 309 H 0.00 0.18 0.15 -0.55 8.37 8.16 1jv3A1 LEU 309 HA 0.02 0.18 0.37 -0.75 4.35 4.17 1jv3A1 LEU 309 HB2 0.01 0.07 0.11 -0.04 1.64 1.79 1jv3A1 LEU 309 HB3 0.01 -0.04 0.11 -0.04 1.64 1.68 1jv3A1 LEU 309 HG 0.02 -0.00 -0.19 -0.04 1.64 1.43 1jv3A1 LEU 309 HD13 0.02 0.01 -0.03 -0.04 0.93 0.89 1jv3A1 LEU 309 HD23 0.01 0.01 -0.03 -0.04 0.89 0.84 1jv3A1 ALA 310 H 0.01 0.08 -0.08 -0.55 8.40 7.86 1jv3A1 ALA 310 HA 0.02 0.10 0.32 -0.75 4.34 4.03 1jv3A1 ALA 310 HB3 0.02 0.01 0.04 -0.04 1.41 1.44 1jv3A1 THR 311 H 0.01 0.01 -0.34 -0.55 8.28 7.40 1jv3A1 THR 311 HA 0.10 0.07 0.45 -0.75 4.39 4.26 1jv3A1 THR 311 HB -0.06 0.05 0.11 -0.04 4.32 4.38 1jv3A1 THR 311 HG23 -0.26 0.02 -0.07 -0.04 1.22 0.87 1jv3A1 ALA 312 H 0.02 0.49 -0.07 -0.55 8.40 8.31 1jv3A1 ALA 312 HA 0.09 0.03 0.45 -0.75 4.34 4.16 1jv3A1 ALA 312 HB3 0.04 0.05 0.09 -0.04 1.41 1.55 1jv3A1 GLN 313 H 0.05 0.47 -0.29 -0.55 8.47 8.16 1jv3A1 GLN 313 HA 0.04 0.11 0.68 -0.75 4.36 4.44 1jv3A1 GLN 313 HB2 0.03 0.03 0.01 -0.04 2.15 2.18 1jv3A1 GLN 313 HB3 0.03 -0.06 0.07 -0.04 2.02 2.01 1jv3A1 GLN 313 HG2 0.03 -0.05 -0.06 -0.04 2.40 2.27 1jv3A1 GLN 313 HG3 0.03 0.13 -0.02 -0.04 2.39 2.48 1jv3A1 GLN 313 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.89 1jv3A1 GLN 313 HE22 0.02 -0.02 -0.03 -0.04 7.69 7.62 1jv3A1 LYS 314 H 0.10 0.26 -0.29 -0.55 8.42 7.93 1jv3A1 LYS 314 HA 0.04 -0.03 0.43 -0.75 4.32 4.01 1jv3A1 LYS 314 HB2 0.16 0.19 0.25 -0.04 1.87 2.43 1jv3A1 LYS 314 HB3 0.08 -0.13 0.01 -0.04 1.79 1.70 1jv3A1 LYS 314 HG2 0.04 -0.00 0.07 -0.04 1.46 1.53 1jv3A1 LYS 314 HG3 0.07 0.02 0.05 -0.04 1.46 1.56 1jv3A1 LYS 314 HD2 0.21 -0.02 0.01 -0.04 1.69 1.86 1jv3A1 LYS 314 HD3 0.06 -0.02 -0.02 -0.04 1.68 1.66 1jv3A1 LYS 314 HE2 0.06 0.00 -0.00 -0.04 2.99 3.01 1jv3A1 LYS 314 HE3 0.04 -0.00 0.00 -0.04 2.99 2.99 1jv3A1 ARG 315 H 0.01 0.12 0.24 -0.55 8.46 8.28 1jv3A1 ARG 315 HA -0.01 0.13 1.02 -0.75 4.34 4.73 1jv3A1 ARG 315 HB2 -0.00 -0.08 0.03 -0.04 1.90 1.80 1jv3A1 ARG 315 HB3 -0.01 0.06 -0.06 -0.04 1.80 1.76 1jv3A1 ARG 315 HG2 0.01 0.16 -0.30 -0.04 1.67 1.50 1jv3A1 ARG 315 HG3 0.01 -0.06 0.00 -0.04 1.67 1.58 1jv3A1 ARG 315 HD2 0.00 -0.07 -0.03 -0.04 3.22 3.08 1jv3A1 ARG 315 HD3 0.00 0.13 -0.27 -0.04 3.22 3.04 1jv3A1 SER 316 H -0.04 0.65 0.12 -0.55 8.46 8.66 1jv3A1 SER 316 HA -0.04 0.18 0.75 -0.75 4.49 4.62 1jv3A1 SER 316 HB2 -0.05 -0.09 0.13 -0.04 3.95 3.90 1jv3A1 SER 316 HB3 -0.08 0.09 0.00 -0.04 3.93 3.90 1jv3A1 SER 317 H -0.02 0.16 0.14 -0.55 8.46 8.19 1jv3A1 SER 317 HA -0.01 0.13 0.32 -0.75 4.49 4.17 1jv3A1 SER 317 HB2 -0.01 0.04 0.08 -0.04 3.95 4.02 1jv3A1 SER 317 HB3 -0.01 0.02 0.14 -0.04 3.93 4.04 1jv3A1 ASP 318 H -0.02 0.02 -0.30 -0.55 8.40 7.56 1jv3A1 ASP 318 HA -0.01 0.15 0.54 -0.75 4.63 4.56 1jv3A1 ASP 318 HB2 -0.01 0.04 0.10 -0.04 2.71 2.80 1jv3A1 ASP 318 HB3 -0.01 -0.00 0.06 -0.04 2.70 2.71 1jv3A1 GLY 319 H -0.01 0.53 -0.36 -0.55 8.43 8.04 1jv3A1 GLY 319 HA2 -0.01 0.05 0.27 -0.51 4.01 3.82 1jv3A1 GLY 319 HA3 -0.01 0.14 0.67 -0.51 4.01 4.31 1jv3A1 ARG 320 H -0.02 -0.07 -0.25 -0.55 8.46 7.57 1jv3A1 ARG 320 HA -0.01 0.15 0.61 -0.75 4.34 4.34 1jv3A1 ARG 320 HB2 -0.03 -0.04 -0.06 -0.04 1.90 1.73 1jv3A1 ARG 320 HB3 -0.02 0.05 0.09 -0.04 1.80 1.87 1jv3A1 ARG 320 HG2 -0.01 0.03 -0.04 -0.04 1.67 1.60 1jv3A1 ARG 320 HG3 -0.01 -0.01 -0.14 -0.04 1.67 1.46 1jv3A1 ARG 320 HD2 -0.02 -0.04 -0.05 -0.04 3.22 3.08 1jv3A1 ARG 320 HD3 -0.02 0.01 -0.03 -0.04 3.22 3.15 1jv3A1 LEU 321 H -0.00 0.15 0.13 -0.55 8.37 8.10 1jv3A1 LEU 321 HA 0.00 0.22 0.53 -0.75 4.35 4.34 1jv3A1 LEU 321 HB2 0.02 -0.05 -0.09 -0.04 1.64 1.48 1jv3A1 LEU 321 HB3 0.05 0.09 -0.09 -0.04 1.64 1.65 1jv3A1 LEU 321 HG 0.02 -0.06 0.05 -0.04 1.64 1.60 1jv3A1 LEU 321 HD13 0.04 0.03 -0.37 -0.04 0.93 0.59 1jv3A1 LEU 321 HD23 0.03 0.03 -0.07 -0.04 0.89 0.84 1jv3A1 LEU 322 H -0.05 0.86 0.17 -0.55 8.37 8.81 1jv3A1 LEU 322 HA -0.20 -0.05 0.32 -0.75 4.35 3.67 1jv3A1 LEU 322 HB2 -0.16 -0.00 -0.27 -0.04 1.64 1.17 1jv3A1 LEU 322 HB3 -0.29 0.07 -0.02 -0.04 1.64 1.36 1jv3A1 LEU 322 HG -1.14 -0.02 -0.22 -0.04 1.64 0.22 1jv3A1 LEU 322 HD13 -0.22 -0.02 0.00 -0.04 0.93 0.65 1jv3A1 LEU 322 HD23 -0.13 0.01 -0.07 -0.04 0.89 0.67 1jv3A1 PHE 323 H 0.03 0.28 -0.22 -0.55 8.34 7.87 1jv3A1 PHE 323 HA 0.01 0.09 0.80 -0.75 4.62 4.77 1jv3A1 PHE 323 HB2 0.01 0.11 0.12 -0.04 3.15 3.34 1jv3A1 PHE 323 HB3 0.01 -0.03 0.00 -0.04 3.06 3.00 1jv3A1 PHE 323 HD2 0.01 0.15 -0.07 -0.04 7.28 7.33 1jv3A1 PHE 323 HE2 0.01 -0.02 -0.30 -0.04 7.38 7.02 1jv3A1 PHE 323 HZ 0.00 0.19 -0.32 -0.04 7.32 7.15 1jv3A1 ASN 324 H 0.01 0.25 -0.10 -0.55 8.53 8.14 1jv3A1 ASN 324 HA 0.05 0.26 0.90 -0.75 4.76 5.22 1jv3A1 ASN 324 HB2 0.00 -0.06 0.24 -0.04 2.88 3.02 1jv3A1 ASN 324 HB3 -0.00 0.15 -0.04 -0.04 2.79 2.86 1jv3A1 ASN 324 HD21 -0.02 -0.04 -0.04 -0.04 7.03 6.88 1jv3A1 ASN 324 HD22 -0.02 -0.04 0.01 -0.04 7.74 7.65 1jv3A1 ALA 325 H 0.08 0.19 -0.09 -0.55 8.40 8.04 1jv3A1 ALA 325 HA 0.00 0.12 0.63 -0.75 4.34 4.33 1jv3A1 ALA 325 HB3 0.07 0.04 0.11 -0.04 1.41 1.58 1jv3A1 GLY 326 H -0.02 0.58 0.13 -0.55 8.43 8.57 1jv3A1 GLY 326 HA2 -0.00 0.24 0.54 -0.51 4.01 4.28 1jv3A1 GLY 326 HA3 -0.05 0.03 0.27 -0.51 4.01 3.75 1jv3A1 ASN 327 H -0.01 0.63 0.22 -0.55 8.53 8.83 1jv3A1 ASN 327 HA 0.04 0.08 0.43 -0.75 4.76 4.56 1jv3A1 ASN 327 HB2 0.02 0.05 -0.05 -0.04 2.88 2.86 1jv3A1 ASN 327 HB3 0.02 -0.06 0.13 -0.04 2.79 2.84 1jv3A1 ASN 327 HD21 0.48 -0.04 -0.05 -0.04 7.03 7.37 1jv3A1 ASN 327 HD22 0.20 -0.03 -0.03 -0.04 7.74 7.83 1jv3A1 ILE 328 H -0.08 0.46 0.28 -0.55 8.25 8.36 1jv3A1 ILE 328 HA -0.41 0.25 0.99 -0.75 4.18 4.26 1jv3A1 ILE 328 HB -0.44 -0.03 0.12 -0.04 1.89 1.50 1jv3A1 ILE 328 HG12 -0.20 0.12 -0.22 -0.04 1.49 1.14 1jv3A1 ILE 328 HG13 -0.11 -0.08 -0.18 -0.04 1.21 0.80 1jv3A1 ILE 328 HG23 -1.14 0.04 -0.15 -0.04 0.93 -0.36 1jv3A1 ILE 328 HD13 -0.09 -0.00 -0.17 -0.04 0.88 0.57 1jv3A1 ALA 329 H 0.12 0.04 -0.19 -0.55 8.40 7.82 1jv3A1 ALA 329 HA -0.03 -0.02 0.27 -0.75 4.34 3.80 1jv3A1 ALA 329 HB3 0.06 0.04 -0.09 -0.04 1.41 1.38 1jv3A1 ASN 330 H -0.06 0.15 -0.12 -0.55 8.53 7.95 1jv3A1 ASN 330 HA 0.07 0.30 0.95 -0.75 4.76 5.33 1jv3A1 ASN 330 HB2 -0.04 -0.05 0.05 -0.04 2.88 2.79 1jv3A1 ASN 330 HB3 0.06 -0.00 0.02 -0.04 2.79 2.83 1jv3A1 ASN 330 HD21 0.15 -0.05 0.01 -0.04 7.03 7.10 1jv3A1 ASN 330 HD22 0.06 0.23 -0.37 -0.04 7.74 7.62 1jv3A1 HIS 331 H 0.10 0.71 0.28 -0.55 8.41 8.95 1jv3A1 HIS 331 HA 0.33 0.24 1.14 -0.75 4.63 5.58 1jv3A1 HIS 331 HB2 -0.30 -0.05 -0.01 -0.04 3.26 2.85 1jv3A1 HIS 331 HB3 -0.10 0.14 0.09 -0.04 3.20 3.29 1jv3A1 HIS 331 HD2 0.37 0.13 -0.19 -0.04 6.97 7.23 1jv3A1 HIS 331 HE1 0.31 -0.11 -0.15 -0.04 7.75 7.77 1jv3A1 PHE 332 H 0.23 0.61 0.35 -0.55 8.34 8.98 1jv3A1 PHE 332 HA -0.09 0.30 1.00 -0.75 4.62 5.07 1jv3A1 PHE 332 HB2 -0.89 -0.01 -0.11 -0.04 3.15 2.10 1jv3A1 PHE 332 HB3 -0.38 -0.12 0.10 -0.04 3.06 2.62 1jv3A1 PHE 332 HD2 -0.23 -0.11 -0.34 -0.04 7.28 6.55 1jv3A1 PHE 332 HE2 -0.07 0.11 -0.28 -0.04 7.38 7.10 1jv3A1 PHE 332 HZ 0.06 0.06 -0.18 -0.04 7.32 7.22 1jv3A1 PHE 333 H -0.40 0.77 0.35 -0.55 8.34 8.50 1jv3A1 PHE 333 HA 0.02 0.30 1.01 -0.75 4.62 5.19 1jv3A1 PHE 333 HB2 -0.02 -0.04 0.03 -0.04 3.15 3.07 1jv3A1 PHE 333 HB3 0.08 0.05 0.04 -0.04 3.06 3.20 1jv3A1 PHE 333 HD2 0.30 0.08 0.02 -0.04 7.28 7.64 1jv3A1 PHE 333 HE2 0.51 -0.04 -0.10 -0.04 7.38 7.71 1jv3A1 PHE 333 HZ 0.54 -0.04 -0.13 -0.04 7.32 7.65 1jv3A1 THR 334 H -0.02 0.38 0.30 -0.55 8.28 8.39 1jv3A1 THR 334 HA -0.75 0.26 0.95 -0.75 4.39 4.09 1jv3A1 THR 334 HB -1.57 0.10 0.26 -0.04 4.32 3.07 1jv3A1 THR 334 HG23 -0.23 0.02 0.07 -0.04 1.22 1.04 1jv3A1 VAL 335 H -0.63 0.66 0.23 -0.55 8.24 7.96 1jv3A1 VAL 335 HA -0.16 -0.02 0.37 -0.75 4.13 3.56 1jv3A1 VAL 335 HB -0.15 0.15 0.13 -0.04 2.12 2.21 1jv3A1 VAL 335 HG13 -0.06 -0.03 -0.16 -0.04 0.97 0.68 1jv3A1 VAL 335 HG23 -0.12 0.04 -0.34 -0.04 0.95 0.49 1jv3A1 PRO 336 HA -0.02 0.08 0.43 -0.51 4.44 4.42 1jv3A1 PRO 336 HB2 -0.02 0.01 0.04 -0.04 2.28 2.27 1jv3A1 PRO 336 HB3 0.07 0.06 0.07 -0.04 2.02 2.17 1jv3A1 PRO 336 HG2 0.13 0.10 0.08 -0.04 2.03 2.30 1jv3A1 PRO 336 HG3 0.09 0.08 0.06 -0.04 2.03 2.22 1jv3A1 PRO 336 HD2 -0.91 0.06 0.12 -0.04 3.68 2.91 1jv3A1 PRO 336 HD3 -0.44 0.20 0.23 -0.04 3.65 3.60 1jv3A1 PHE 337 H 0.00 0.17 -0.31 -0.55 8.34 7.65 1jv3A1 PHE 337 HA 0.00 0.07 0.43 -0.75 4.62 4.37 1jv3A1 PHE 337 HB2 -0.02 -0.02 0.14 -0.04 3.15 3.21 1jv3A1 PHE 337 HB3 -0.08 0.12 0.19 -0.04 3.06 3.26 1jv3A1 PHE 337 HD2 0.08 0.03 0.06 -0.04 7.28 7.42 1jv3A1 PHE 337 HE2 0.05 0.05 -0.22 -0.04 7.38 7.22 1jv3A1 PHE 337 HZ 0.06 0.30 -0.16 -0.04 7.32 7.48 1jv3A1 LEU 338 H -0.09 0.48 -0.16 -0.55 8.37 8.05 1jv3A1 LEU 338 HA -0.40 -0.03 0.31 -0.75 4.35 3.47 1jv3A1 LEU 338 HB2 -0.12 0.17 0.09 -0.04 1.64 1.74 1jv3A1 LEU 338 HB3 -0.11 -0.09 -0.09 -0.04 1.64 1.31 1jv3A1 LEU 338 HG -0.05 0.11 -0.07 -0.04 1.64 1.58 1jv3A1 LEU 338 HD13 -0.03 -0.01 -0.16 -0.04 0.93 0.69 1jv3A1 LEU 338 HD23 -0.09 -0.03 -0.07 -0.04 0.89 0.65 1jv3A1 ARG 339 H -0.09 0.58 -0.25 -0.55 8.46 8.15 1jv3A1 ARG 339 HA -0.09 -0.05 0.37 -0.75 4.34 3.83 1jv3A1 ARG 339 HB2 -0.05 -0.01 0.05 -0.04 1.90 1.84 1jv3A1 ARG 339 HB3 -0.04 0.17 0.16 -0.04 1.80 2.05 1jv3A1 ARG 339 HG2 -0.05 0.03 -0.32 -0.04 1.67 1.28 1jv3A1 ARG 339 HG3 -0.06 -0.07 -0.05 -0.04 1.67 1.46 1jv3A1 ARG 339 HD2 -0.01 0.02 -0.03 -0.04 3.22 3.16 1jv3A1 ARG 339 HD3 -0.02 0.00 -0.06 -0.04 3.22 3.10 1jv3A1 ASP 340 H -0.05 0.54 -0.13 -0.55 8.40 8.22 1jv3A1 ASP 340 HA -0.15 0.03 0.38 -0.75 4.63 4.14 1jv3A1 ASP 340 HB2 0.12 0.15 0.19 -0.04 2.71 3.13 1jv3A1 ASP 340 HB3 -0.00 -0.04 -0.01 -0.04 2.70 2.61 1jv3A1 VAL 341 H -0.23 0.54 -0.19 -0.55 8.24 7.82 1jv3A1 VAL 341 HA -0.03 -0.06 0.48 -0.75 4.13 3.77 1jv3A1 VAL 341 HB -0.43 0.11 0.16 -0.04 2.12 1.92 1jv3A1 VAL 341 HG13 -0.74 -0.03 -0.16 -0.04 0.97 0.00 1jv3A1 VAL 341 HG23 -0.81 0.06 -0.03 -0.04 0.95 0.12 1jv3A1 VAL 342 H -0.15 0.74 -0.02 -0.55 8.24 8.25 1jv3A1 VAL 342 HA -0.05 -0.04 0.36 -0.75 4.13 3.64 1jv3A1 VAL 342 HB -0.08 0.11 0.12 -0.04 2.12 2.23 1jv3A1 VAL 342 HG13 -0.03 -0.01 -0.12 -0.04 0.97 0.77 1jv3A1 VAL 342 HG23 -0.02 0.02 0.02 -0.04 0.95 0.93 1jv3A1 ASN 343 H -0.14 0.52 -0.21 -0.55 8.53 8.16 1jv3A1 ASN 343 HA -0.09 0.16 0.85 -0.75 4.76 4.93 1jv3A1 ASN 343 HB2 -0.11 0.08 0.03 -0.04 2.88 2.84 1jv3A1 ASN 343 HB3 -0.09 -0.04 0.13 -0.04 2.79 2.75 1jv3A1 ASN 343 HD21 -0.05 -0.05 -0.03 -0.04 7.03 6.87 1jv3A1 ASN 343 HD22 -0.05 0.00 0.02 -0.04 7.74 7.67 1jv3A1 VAL 344 H -0.25 0.19 -0.32 -0.55 8.24 7.31 1jv3A1 VAL 344 HA -0.23 0.16 0.89 -0.75 4.13 4.20 1jv3A1 VAL 344 HB -0.86 0.11 0.20 -0.04 2.12 1.53 1jv3A1 VAL 344 HG13 -0.51 -0.02 -0.10 -0.04 0.97 0.30 1jv3A1 VAL 344 HG23 -0.26 -0.03 -0.21 -0.04 0.95 0.40 1jv3A1 TYR 345 H -0.59 0.30 0.25 -0.55 8.29 7.70 1jv3A1 TYR 345 HA -0.42 0.10 0.41 -0.75 4.56 3.90 1jv3A1 TYR 345 HB2 -0.49 -0.06 0.12 -0.04 3.06 2.59 1jv3A1 TYR 345 HB3 -1.23 -0.01 0.01 -0.04 2.98 1.71 1jv3A1 TYR 345 HD2 -0.57 -0.04 -0.12 -0.04 7.15 6.38 1jv3A1 TYR 345 HE2 -0.02 -0.01 -0.05 -0.04 6.85 6.73 1jv3A1 GLU 346 H -0.13 0.63 0.02 -0.55 8.60 8.57 1jv3A1 GLU 346 HA -0.08 -0.09 0.28 -0.75 4.29 3.64 1jv3A1 GLU 346 HB2 -0.05 0.14 0.04 -0.04 2.09 2.18 1jv3A1 GLU 346 HB3 -0.03 0.11 -0.02 -0.04 1.99 2.01 1jv3A1 GLU 346 HG2 0.09 -0.11 -0.04 -0.04 2.34 2.23 1jv3A1 GLU 346 HG3 0.06 -0.04 -0.18 -0.04 2.34 2.14 1jv3A1 PRO 347 HA 0.03 0.03 0.44 -0.51 4.44 4.43 1jv3A1 PRO 347 HB2 0.00 0.06 -0.03 -0.04 2.28 2.28 1jv3A1 PRO 347 HB3 0.04 -0.04 0.08 -0.04 2.02 2.06 1jv3A1 PRO 347 HG2 -0.03 0.06 -0.02 -0.04 2.03 2.00 1jv3A1 PRO 347 HG3 0.00 -0.05 -0.02 -0.04 2.03 1.92 1jv3A1 PRO 347 HD2 -0.07 0.46 -0.23 -0.04 3.68 3.79 1jv3A1 PRO 347 HD3 -0.06 0.01 -0.16 -0.04 3.65 3.40 1jv3A1 GLN 348 H -0.01 0.87 -0.20 -0.55 8.47 8.58 1jv3A1 GLN 348 HA 0.07 0.08 0.62 -0.75 4.36 4.37 1jv3A1 GLN 348 HB2 0.13 0.03 0.02 -0.04 2.15 2.29 1jv3A1 GLN 348 HB3 0.22 -0.07 0.11 -0.04 2.02 2.24 1jv3A1 GLN 348 HG2 0.05 -0.04 -0.05 -0.04 2.40 2.32 1jv3A1 GLN 348 HG3 -0.03 0.11 0.05 -0.04 2.39 2.48 1jv3A1 GLN 348 HE21 0.08 -0.04 -0.04 -0.04 6.97 6.93 1jv3A1 GLN 348 HE22 -0.03 0.06 -0.07 -0.04 7.69 7.61 1jv3A1 LEU 349 H 0.01 0.52 -0.28 -0.55 8.37 8.08 1jv3A1 LEU 349 HA 0.05 -0.01 0.57 -0.75 4.35 4.21 1jv3A1 LEU 349 HB2 -0.04 0.14 0.13 -0.04 1.64 1.83 1jv3A1 LEU 349 HB3 -0.02 -0.14 0.00 -0.04 1.64 1.45 1jv3A1 LEU 349 HG 0.02 0.09 -0.10 -0.04 1.64 1.61 1jv3A1 LEU 349 HD13 -0.02 -0.05 -0.04 -0.04 0.93 0.78 1jv3A1 LEU 349 HD23 0.12 -0.03 -0.19 -0.04 0.89 0.74 1jv3A1 GLN 350 H -0.07 0.06 0.17 -0.55 8.47 8.08 1jv3A1 GLN 350 HA -0.18 0.19 0.67 -0.75 4.36 4.28 1jv3A1 GLN 350 HB2 -0.20 -0.08 0.04 -0.04 2.15 1.87 1jv3A1 GLN 350 HB3 -0.17 0.08 0.03 -0.04 2.02 1.92 1jv3A1 GLN 350 HG2 -0.06 0.02 -0.05 -0.04 2.40 2.27 1jv3A1 GLN 350 HG3 -0.04 0.13 -0.08 -0.04 2.39 2.36 1jv3A1 GLN 350 HE21 -0.05 -0.03 0.01 -0.04 6.97 6.86 1jv3A1 GLN 350 HE22 -0.02 0.08 0.04 -0.04 7.69 7.75 1jv3A1 HIS 351 H -0.14 0.16 0.09 -0.55 8.41 7.97 1jv3A1 HIS 351 HA -0.18 0.09 0.49 -0.75 4.63 4.27 1jv3A1 HIS 351 HB2 -0.16 0.04 0.06 -0.04 3.26 3.16 1jv3A1 HIS 351 HB3 -0.14 -0.03 -0.07 -0.04 3.20 2.92 1jv3A1 HIS 351 HD2 -0.37 0.05 -0.00 -0.04 6.97 6.60 1jv3A1 HIS 351 HE1 -0.33 -0.04 -0.14 -0.04 7.75 7.20 1jv3A1 HIS 352 H -0.12 0.87 0.43 -0.55 8.41 9.05 1jv3A1 HIS 352 HA -0.18 0.14 0.76 -0.75 4.63 4.60 1jv3A1 HIS 352 HB2 -0.86 -0.00 0.14 -0.04 3.26 2.49 1jv3A1 HIS 352 HB3 -0.31 -0.01 -0.02 -0.04 3.20 2.82 1jv3A1 HIS 352 HD2 -0.74 0.06 0.11 -0.04 6.97 6.36 1jv3A1 HIS 352 HE1 0.06 0.02 0.01 -0.04 7.75 7.80 1jv3A1 VAL 353 H -0.03 0.23 0.13 -0.55 8.24 8.02 1jv3A1 VAL 353 HA 0.05 0.32 1.15 -0.75 4.13 4.89 1jv3A1 VAL 353 HB 0.21 0.06 0.05 -0.04 2.12 2.41 1jv3A1 VAL 353 HG13 0.21 -0.02 -0.29 -0.04 0.97 0.83 1jv3A1 VAL 353 HG23 0.05 0.02 -0.23 -0.04 0.95 0.75 1jv3A1 ALA 354 H 0.09 0.50 0.32 -0.55 8.40 8.76 1jv3A1 ALA 354 HA 0.10 0.21 1.00 -0.75 4.34 4.90 1jv3A1 ALA 354 HB3 0.09 -0.00 -0.03 -0.04 1.41 1.43 1jv3A1 GLN 355 H 0.14 0.19 0.14 -0.55 8.47 8.40 1jv3A1 GLN 355 HA 0.24 0.26 0.84 -0.75 4.36 4.93 1jv3A1 GLN 355 HB2 0.15 -0.03 0.20 -0.04 2.15 2.44 1jv3A1 GLN 355 HB3 0.24 0.01 0.03 -0.04 2.02 2.26 1jv3A1 GLN 355 HG2 0.34 0.03 -0.06 -0.04 2.40 2.67 1jv3A1 GLN 355 HG3 0.32 -0.02 -0.12 -0.04 2.39 2.52 1jv3A1 GLN 355 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 1jv3A1 GLN 355 HE22 -0.06 0.00 -0.03 -0.04 7.69 7.56 1jv3A1 LYS 356 H 0.09 0.54 0.25 -0.55 8.42 8.75 1jv3A1 LYS 356 HA 0.08 0.23 0.92 -0.75 4.32 4.79 1jv3A1 LYS 356 HB2 0.04 0.02 -0.17 -0.04 1.87 1.72 1jv3A1 LYS 356 HB3 0.04 0.05 -0.20 -0.04 1.79 1.63 1jv3A1 LYS 356 HG2 0.06 0.04 -0.07 -0.04 1.46 1.44 1jv3A1 LYS 356 HG3 0.07 -0.03 -0.34 -0.04 1.46 1.11 1jv3A1 LYS 356 HD2 0.04 -0.02 -0.13 -0.04 1.69 1.55 1jv3A1 LYS 356 HD3 0.04 0.04 -0.11 -0.04 1.68 1.61 1jv3A1 LYS 356 HE2 0.04 -0.02 -0.05 -0.04 2.99 2.92 1jv3A1 LYS 356 HE3 0.05 0.02 -0.04 -0.04 2.99 2.98 1jv3A1 LYS 357 H 0.05 0.24 0.05 -0.55 8.42 8.20 1jv3A1 LYS 357 HA 0.04 0.01 0.72 -0.75 4.32 4.34 1jv3A1 LYS 357 HB2 0.05 -0.03 0.12 -0.04 1.87 1.97 1jv3A1 LYS 357 HB3 0.06 0.11 -0.08 -0.04 1.79 1.84 1jv3A1 LYS 357 HG2 0.06 -0.01 -0.64 -0.04 1.46 0.84 1jv3A1 LYS 357 HG3 0.06 -0.07 -0.21 -0.04 1.46 1.21 1jv3A1 LYS 357 HD2 0.04 -0.07 -0.09 -0.04 1.69 1.54 1jv3A1 LYS 357 HD3 0.05 0.32 -0.20 -0.04 1.68 1.80 1jv3A1 LYS 357 HE2 0.06 -0.09 -0.45 -0.04 2.99 2.46 1jv3A1 LYS 357 HE3 0.05 -0.08 -0.10 -0.04 2.99 2.82 1jv3A1 ILE 358 H -0.00 0.11 -0.03 -0.55 8.25 7.78 1jv3A1 ILE 358 HA 0.04 0.22 0.88 -0.75 4.18 4.57 1jv3A1 ILE 358 HB -0.04 -0.04 -0.03 -0.04 1.89 1.74 1jv3A1 ILE 358 HG12 -0.01 0.02 -0.19 -0.04 1.49 1.27 1jv3A1 ILE 358 HG13 0.01 0.01 -0.44 -0.04 1.21 0.75 1jv3A1 ILE 358 HG23 0.03 0.06 -0.17 -0.04 0.93 0.81 1jv3A1 ILE 358 HD13 -0.07 0.01 -0.35 -0.04 0.88 0.44 1jv3A1 PRO 359 HA 0.13 0.25 0.66 -0.51 4.44 4.96 1jv3A1 PRO 359 HB2 0.02 0.01 0.01 -0.04 2.28 2.28 1jv3A1 PRO 359 HB3 0.03 -0.01 0.12 -0.04 2.02 2.12 1jv3A1 PRO 359 HG2 0.04 -0.02 0.11 -0.04 2.03 2.11 1jv3A1 PRO 359 HG3 0.03 0.00 0.08 -0.04 2.03 2.10 1jv3A1 PRO 359 HD2 0.04 0.03 0.27 -0.04 3.68 3.98 1jv3A1 PRO 359 HD3 0.05 0.19 0.17 -0.04 3.65 4.01 1jv3A1 TYR 360 H -0.05 0.43 0.42 -0.55 8.29 8.54 1jv3A1 TYR 360 HA 0.01 0.17 0.83 -0.75 4.56 4.81 1jv3A1 TYR 360 HB2 0.03 0.07 0.11 -0.04 3.06 3.23 1jv3A1 TYR 360 HB3 0.01 0.06 -0.28 -0.04 2.98 2.72 1jv3A1 TYR 360 HD2 0.02 0.23 -0.14 -0.04 7.15 7.22 1jv3A1 TYR 360 HE2 0.02 -0.09 -0.10 -0.04 6.85 6.64 1jv3A1 VAL 361 H 0.15 0.45 0.09 -0.55 8.24 8.38 1jv3A1 VAL 361 HA -0.16 0.14 0.57 -0.75 4.13 3.93 1jv3A1 VAL 361 HB -0.10 0.02 -0.27 -0.04 2.12 1.72 1jv3A1 VAL 361 HG13 0.08 0.03 -0.36 -0.04 0.97 0.69 1jv3A1 VAL 361 HG23 -0.27 0.02 -0.33 -0.04 0.95 0.33 1jv3A1 ASP 362 H -0.10 0.44 0.12 -0.55 8.40 8.31 1jv3A1 ASP 362 HA 0.31 0.21 0.63 -0.75 4.63 5.03 1jv3A1 ASP 362 HB2 0.15 -0.06 0.17 -0.04 2.71 2.94 1jv3A1 ASP 362 HB3 0.01 0.13 0.08 -0.04 2.70 2.88 1jv3A1 THR 363 H 0.15 0.19 0.15 -0.55 8.28 8.22 1jv3A1 THR 363 HA 0.14 0.14 0.32 -0.75 4.39 4.24 1jv3A1 THR 363 HB 0.03 0.05 0.07 -0.04 4.32 4.43 1jv3A1 THR 363 HG23 0.03 0.01 0.07 -0.04 1.22 1.30 1jv3A1 GLN 364 H 0.11 -0.01 -0.44 -0.55 8.47 7.59 1jv3A1 GLN 364 HA 0.10 0.19 0.55 -0.75 4.36 4.44 1jv3A1 GLN 364 HB2 0.04 -0.06 -0.06 -0.04 2.15 2.03 1jv3A1 GLN 364 HB3 0.04 0.06 0.09 -0.04 2.02 2.18 1jv3A1 GLN 364 HG2 0.06 -0.12 -0.00 -0.04 2.40 2.30 1jv3A1 GLN 364 HG3 0.04 0.05 -0.01 -0.04 2.39 2.42 1jv3A1 GLN 364 HE21 0.03 0.03 -0.03 -0.04 6.97 6.95 1jv3A1 GLN 364 HE22 0.03 0.01 -0.02 -0.04 7.69 7.67 1jv3A1 GLY 365 H 0.23 0.56 -0.44 -0.55 8.43 8.24 1jv3A1 GLY 365 HA2 -0.18 0.04 0.19 -0.51 4.01 3.54 1jv3A1 GLY 365 HA3 0.00 0.12 0.45 -0.51 4.01 4.07 1jv3A1 GLN 366 H -0.01 -0.04 -0.22 -0.55 8.47 7.66 1jv3A1 GLN 366 HA -0.08 0.23 1.03 -0.75 4.36 4.78 1jv3A1 GLN 366 HB2 -0.06 0.12 -0.07 -0.04 2.15 2.09 1jv3A1 GLN 366 HB3 -0.04 0.07 -0.07 -0.04 2.02 1.94 1jv3A1 GLN 366 HG2 -0.01 -0.18 -0.10 -0.04 2.40 2.08 1jv3A1 GLN 366 HG3 -0.05 -0.01 -0.04 -0.04 2.39 2.25 1jv3A1 GLN 366 HE21 0.00 0.03 -0.03 -0.04 6.97 6.92 1jv3A1 GLN 366 HE22 -0.01 -0.03 -0.04 -0.04 7.69 7.56 1jv3A1 LEU 367 H -0.10 0.13 0.17 -0.55 8.37 8.03 1jv3A1 LEU 367 HA -0.18 0.23 0.57 -0.75 4.35 4.22 1jv3A1 LEU 367 HB2 -0.08 -0.04 0.13 -0.04 1.64 1.61 1jv3A1 LEU 367 HB3 -0.09 0.06 0.01 -0.04 1.64 1.58 1jv3A1 LEU 367 HG -0.09 -0.03 0.12 -0.04 1.64 1.60 1jv3A1 LEU 367 HD13 -0.06 -0.01 0.01 -0.04 0.93 0.84 1jv3A1 LEU 367 HD23 -0.10 -0.00 -0.04 -0.04 0.89 0.71 1jv3A1 ILE 368 H -0.38 0.82 0.47 -0.55 8.25 8.61 1jv3A1 ILE 368 HA -0.13 0.16 1.00 -0.75 4.18 4.46 1jv3A1 ILE 368 HB -0.90 -0.00 0.04 -0.04 1.89 0.99 1jv3A1 ILE 368 HG12 -0.14 0.03 -0.24 -0.04 1.49 1.10 1jv3A1 ILE 368 HG13 -0.30 0.22 -0.39 -0.04 1.21 0.69 1jv3A1 ILE 368 HG23 -0.03 -0.01 -0.20 -0.04 0.93 0.65 1jv3A1 ILE 368 HD13 -0.16 -0.04 -0.05 -0.04 0.88 0.59 1jv3A1 LYS 369 H -0.03 0.20 0.06 -0.55 8.42 8.10 1jv3A1 LYS 369 HA 0.04 0.15 0.75 -0.75 4.32 4.51 1jv3A1 LYS 369 HB2 0.00 -0.04 0.14 -0.04 1.87 1.93 1jv3A1 LYS 369 HB3 0.02 0.08 -0.00 -0.04 1.79 1.85 1jv3A1 LYS 369 HG2 0.00 -0.01 -0.02 -0.04 1.46 1.39 1jv3A1 LYS 369 HG3 0.01 0.04 -0.01 -0.04 1.46 1.47 1jv3A1 LYS 369 HD2 -0.03 0.03 -0.68 -0.04 1.69 0.97 1jv3A1 LYS 369 HD3 -0.03 -0.01 -0.18 -0.04 1.68 1.43 1jv3A1 LYS 369 HE2 -0.01 -0.00 -0.07 -0.04 2.99 2.87 1jv3A1 LYS 369 HE3 -0.01 0.02 -0.08 -0.04 2.99 2.88 1jv3A1 PRO 370 HA 0.13 -0.06 0.36 -0.51 4.44 4.36 1jv3A1 PRO 370 HB2 0.09 0.33 -0.03 -0.04 2.28 2.63 1jv3A1 PRO 370 HB3 0.19 0.02 0.04 -0.04 2.02 2.23 1jv3A1 PRO 370 HG2 0.08 -0.01 -0.15 -0.04 2.03 1.91 1jv3A1 PRO 370 HG3 0.11 0.00 -0.20 -0.04 2.03 1.91 1jv3A1 PRO 370 HD2 0.10 0.07 -0.03 -0.04 3.68 3.78 1jv3A1 PRO 370 HD3 0.27 0.26 -0.06 -0.04 3.65 4.08 1jv3A1 ASP 371 H 0.07 0.07 0.18 -0.55 8.40 8.17 1jv3A1 ASP 371 HA 0.04 0.15 0.62 -0.75 4.63 4.69 1jv3A1 ASP 371 HB2 0.05 -0.05 0.10 -0.04 2.71 2.77 1jv3A1 ASP 371 HB3 0.04 0.01 0.05 -0.04 2.70 2.76 1jv3A1 LYS 372 H 0.07 0.03 -0.04 -0.55 8.42 7.93 1jv3A1 LYS 372 HA 0.06 0.23 0.82 -0.75 4.32 4.68 1jv3A1 LYS 372 HB2 0.07 0.01 -0.06 -0.04 1.87 1.86 1jv3A1 LYS 372 HB3 0.06 0.06 0.05 -0.04 1.79 1.93 1jv3A1 LYS 372 HG2 0.04 0.09 -0.26 -0.04 1.46 1.29 1jv3A1 LYS 372 HG3 0.05 -0.14 -0.11 -0.04 1.46 1.22 1jv3A1 LYS 372 HD2 0.04 0.04 -0.03 -0.04 1.69 1.70 1jv3A1 LYS 372 HD3 0.04 -0.02 -0.04 -0.04 1.68 1.61 1jv3A1 LYS 372 HE2 0.05 -0.05 -0.02 -0.04 2.99 2.92 1jv3A1 LYS 372 HE3 0.06 0.07 -0.04 -0.04 2.99 3.04 1jv3A1 PRO 373 HA 0.09 0.02 0.19 -0.51 4.44 4.23 1jv3A1 PRO 373 HB2 0.26 -0.01 -0.01 -0.04 2.28 2.49 1jv3A1 PRO 373 HB3 0.19 0.05 -0.24 -0.04 2.02 1.98 1jv3A1 PRO 373 HG2 0.10 0.05 0.00 -0.04 2.03 2.14 1jv3A1 PRO 373 HG3 0.09 0.03 -0.08 -0.04 2.03 2.03 1jv3A1 PRO 373 HD2 0.09 0.09 0.15 -0.04 3.68 3.96 1jv3A1 PRO 373 HD3 0.07 0.17 0.15 -0.04 3.65 4.00 1jv3A1 ASN 374 H -0.03 0.24 0.42 -0.55 8.53 8.61 1jv3A1 ASN 374 HA -0.05 0.20 0.98 -0.75 4.76 5.13 1jv3A1 ASN 374 HB2 -0.30 -0.07 0.21 -0.04 2.88 2.68 1jv3A1 ASN 374 HB3 -0.10 0.05 0.02 -0.04 2.79 2.72 1jv3A1 ASN 374 HD21 -0.13 0.49 0.07 -0.04 7.03 7.42 1jv3A1 ASN 374 HD22 -0.67 -0.08 0.01 -0.04 7.74 6.96 1jv3A1 GLY 375 H -0.27 0.36 0.21 -0.55 8.43 8.19 1jv3A1 GLY 375 HA2 -1.00 -0.04 0.53 -0.51 4.01 2.99 1jv3A1 GLY 375 HA3 -0.35 0.07 0.38 -0.51 4.01 3.60 1jv3A1 ILE 376 H -0.08 0.75 0.38 -0.55 8.25 8.75 1jv3A1 ILE 376 HA 0.09 0.31 1.35 -0.75 4.18 5.18 1jv3A1 ILE 376 HB 0.12 0.01 -0.03 -0.04 1.89 1.94 1jv3A1 ILE 376 HG12 0.16 0.08 -0.01 -0.04 1.49 1.67 1jv3A1 ILE 376 HG13 0.09 -0.06 -0.37 -0.04 1.21 0.84 1jv3A1 ILE 376 HG23 0.22 -0.01 -0.28 -0.04 0.93 0.83 1jv3A1 ILE 376 HD13 0.09 0.01 -0.17 -0.04 0.88 0.77 1jv3A1 LYS 377 H 0.07 0.55 0.33 -0.55 8.42 8.81 1jv3A1 LYS 377 HA 0.02 0.16 0.85 -0.75 4.32 4.60 1jv3A1 LYS 377 HB2 0.03 -0.01 -0.08 -0.04 1.87 1.77 1jv3A1 LYS 377 HB3 0.05 -0.05 0.09 -0.04 1.79 1.84 1jv3A1 LYS 377 HG2 0.03 0.07 -0.44 -0.04 1.46 1.08 1jv3A1 LYS 377 HG3 0.02 0.04 -0.07 -0.04 1.46 1.42 1jv3A1 LYS 377 HD2 0.04 -0.02 -0.09 -0.04 1.69 1.58 1jv3A1 LYS 377 HD3 0.06 -0.05 -0.12 -0.04 1.68 1.53 1jv3A1 LYS 377 HE2 0.06 -0.10 -0.10 -0.04 2.99 2.80 1jv3A1 LYS 377 HE3 0.03 0.18 -0.09 -0.04 2.99 3.07 1jv3A1 MET 378 H -0.03 0.21 0.07 -0.55 8.47 8.17 1jv3A1 MET 378 HA -0.04 0.28 0.86 -0.75 4.52 4.87 1jv3A1 MET 378 HB2 -0.28 -0.01 0.03 -0.04 2.15 1.84 1jv3A1 MET 378 HB3 -0.56 -0.01 -0.06 -0.04 2.03 1.36 1jv3A1 MET 378 HG2 -0.09 0.05 -0.19 -0.04 2.63 2.36 1jv3A1 MET 378 HG3 -0.03 -0.05 -0.23 -0.04 2.56 2.20 1jv3A1 MET 378 HE3 0.04 0.01 -0.07 -0.04 2.10 2.03 1jv3A1 GLU 379 H 0.00 0.52 0.27 -0.55 8.60 8.85 1jv3A1 GLU 379 HA 0.07 0.19 0.33 -0.75 4.29 4.13 1jv3A1 GLU 379 HB2 0.09 -0.17 -0.04 -0.04 2.09 1.93 1jv3A1 GLU 379 HB3 0.05 0.15 -0.26 -0.04 1.99 1.89 1jv3A1 GLU 379 HG2 0.04 0.18 -0.13 -0.04 2.34 2.39 1jv3A1 GLU 379 HG3 -0.01 -0.08 -0.15 -0.04 2.34 2.05 1jv3A1 LYS 380 H 0.03 0.54 0.26 -0.55 8.42 8.70 1jv3A1 LYS 380 HA -0.12 0.34 0.84 -0.75 4.32 4.62 1jv3A1 LYS 380 HB2 -0.02 -0.08 -0.16 -0.04 1.87 1.57 1jv3A1 LYS 380 HB3 -0.02 0.02 -0.06 -0.04 1.79 1.69 1jv3A1 LYS 380 HG2 -0.32 0.22 -0.39 -0.04 1.46 0.92 1jv3A1 LYS 380 HG3 -0.29 -0.06 -0.25 -0.04 1.46 0.82 1jv3A1 LYS 380 HD2 -0.09 -0.10 -0.18 -0.04 1.69 1.28 1jv3A1 LYS 380 HD3 -0.12 0.05 -0.15 -0.04 1.68 1.42 1jv3A1 LYS 380 HE2 -1.04 0.00 -0.22 -0.04 2.99 1.69 1jv3A1 LYS 380 HE3 -0.39 -0.10 -0.12 -0.04 2.99 2.34 1jv3A1 PHE 381 H -0.03 0.36 0.17 -0.55 8.34 8.28 1jv3A1 PHE 381 HA -0.30 0.02 0.90 -0.75 4.62 4.49 1jv3A1 PHE 381 HB2 -0.53 0.11 0.10 -0.04 3.15 2.78 1jv3A1 PHE 381 HB3 -1.44 -0.12 0.01 -0.04 3.06 1.47 1jv3A1 PHE 381 HD2 -0.41 0.02 -0.16 -0.04 7.28 6.70 1jv3A1 PHE 381 HE2 -0.27 0.02 -0.09 -0.04 7.38 7.00 1jv3A1 PHE 381 HZ -0.14 0.06 -0.10 -0.04 7.32 7.10 1jv3A1 VAL 382 H -0.16 0.12 -0.01 -0.55 8.24 7.64 1jv3A1 VAL 382 HA 0.18 0.14 0.25 -0.75 4.13 3.95 1jv3A1 VAL 382 HB 0.01 0.06 -0.18 -0.04 2.12 1.97 1jv3A1 VAL 382 HG13 0.15 0.00 -0.08 -0.04 0.97 1.00 1jv3A1 VAL 382 HG23 0.31 0.02 -0.08 -0.04 0.95 1.16 1jv3A1 PHE 383 H -0.82 0.02 -0.28 -0.55 8.34 6.72 1jv3A1 PHE 383 HA -0.54 0.22 0.59 -0.75 4.62 4.14 1jv3A1 PHE 383 HB2 -1.37 0.05 0.07 -0.04 3.15 1.86 1jv3A1 PHE 383 HB3 -0.55 0.00 -0.02 -0.04 3.06 2.45 1jv3A1 PHE 383 HD2 -0.09 0.05 -0.29 -0.04 7.28 6.90 1jv3A1 PHE 383 HE2 -0.08 0.07 -0.06 -0.04 7.38 7.27 1jv3A1 PHE 383 HZ -0.36 -0.01 -0.08 -0.04 7.32 6.83 1jv3A1 ASP 384 H -0.04 0.38 -0.43 -0.55 8.40 7.76 1jv3A1 ASP 384 HA 0.09 0.11 0.53 -0.75 4.63 4.61 1jv3A1 ASP 384 HB2 0.07 0.12 0.16 -0.04 2.71 3.01 1jv3A1 ASP 384 HB3 0.07 0.08 0.17 -0.04 2.70 2.98 1jv3A1 ILE 385 H 0.01 0.14 -0.60 -0.55 8.25 7.25 1jv3A1 ILE 385 HA 0.16 0.27 0.79 -0.75 4.18 4.65 1jv3A1 ILE 385 HB -0.17 0.01 0.03 -0.04 1.89 1.72 1jv3A1 ILE 385 HG12 0.01 0.15 -0.01 -0.04 1.49 1.59 1jv3A1 ILE 385 HG13 0.31 0.02 -0.40 -0.04 1.21 1.11 1jv3A1 ILE 385 HG23 -0.61 0.01 -0.10 -0.04 0.93 0.18 1jv3A1 ILE 385 HD13 -1.09 -0.01 -0.10 -0.04 0.88 -0.36 1jv3A1 PHE 386 H 0.09 0.41 -0.20 -0.55 8.34 8.09 1jv3A1 PHE 386 HA 0.16 0.00 0.30 -0.75 4.62 4.33 1jv3A1 PHE 386 HB2 -0.14 0.07 -0.04 -0.04 3.15 3.00 1jv3A1 PHE 386 HB3 -0.59 -0.00 -0.19 -0.04 3.06 2.23 1jv3A1 PHE 386 HD2 0.10 -0.02 -0.16 -0.04 7.28 7.16 1jv3A1 PHE 386 HE2 0.27 -0.02 -0.10 -0.04 7.38 7.49 1jv3A1 PHE 386 HZ -0.66 -0.07 -0.08 -0.04 7.32 6.47 1jv3A1 GLN 387 H -0.09 0.09 -0.33 -0.55 8.47 7.60 1jv3A1 GLN 387 HA -0.14 0.06 0.34 -0.75 4.36 3.87 1jv3A1 GLN 387 HB2 -0.37 -0.01 0.05 -0.04 2.15 1.78 1jv3A1 GLN 387 HB3 -0.26 0.03 0.08 -0.04 2.02 1.83 1jv3A1 GLN 387 HG2 -0.81 -0.07 -0.08 -0.04 2.40 1.40 1jv3A1 GLN 387 HG3 -1.82 0.01 -0.29 -0.04 2.39 0.25 1jv3A1 GLN 387 HE21 -0.14 -0.07 0.06 -0.04 6.97 6.77 1jv3A1 GLN 387 HE22 -0.23 0.57 0.18 -0.04 7.69 8.17 1jv3A1 PHE 388 H -0.07 0.32 -0.58 -0.55 8.34 7.46 1jv3A1 PHE 388 HA -0.18 0.19 0.71 -0.75 4.62 4.60 1jv3A1 PHE 388 HB2 -0.24 0.05 0.02 -0.04 3.15 2.93 1jv3A1 PHE 388 HB3 -1.11 -0.05 0.09 -0.04 3.06 1.94 1jv3A1 PHE 388 HD2 -0.30 -0.01 -0.02 -0.04 7.28 6.92 1jv3A1 PHE 388 HE2 -0.05 0.01 -0.09 -0.04 7.38 7.21 1jv3A1 PHE 388 HZ -0.01 0.06 -0.06 -0.04 7.32 7.26 1jv3A1 ALA 389 H 0.06 0.49 -0.23 -0.55 8.40 8.18 1jv3A1 ALA 389 HA -0.65 -0.03 0.43 -0.75 4.34 3.33 1jv3A1 ALA 389 HB3 -0.12 -0.03 -0.02 -0.04 1.41 1.19 1jv3A1 LYS 390 H -0.22 0.03 0.18 -0.55 8.42 7.85 1jv3A1 LYS 390 HA 0.02 0.19 0.57 -0.75 4.32 4.34 1jv3A1 LYS 390 HB2 -0.02 -0.08 0.16 -0.04 1.87 1.89 1jv3A1 LYS 390 HB3 0.03 0.04 0.06 -0.04 1.79 1.87 1jv3A1 LYS 390 HG2 0.07 0.06 0.03 -0.04 1.46 1.57 1jv3A1 LYS 390 HG3 0.07 0.00 0.05 -0.04 1.46 1.53 1jv3A1 LYS 390 HD2 0.08 -0.04 0.02 -0.04 1.69 1.71 1jv3A1 LYS 390 HD3 0.06 0.02 0.02 -0.04 1.68 1.74 1jv3A1 LYS 390 HE2 0.08 -0.02 0.00 -0.04 2.99 3.01 1jv3A1 LYS 390 HE3 0.08 0.02 0.01 -0.04 2.99 3.06 1jv3A1 LYS 391 H -0.08 -0.08 -0.06 -0.55 8.42 7.64 1jv3A1 LYS 391 HA 0.03 0.19 0.69 -0.75 4.32 4.47 1jv3A1 LYS 391 HB2 0.00 0.11 -0.11 -0.04 1.87 1.83 1jv3A1 LYS 391 HB3 -0.02 -0.11 0.20 -0.04 1.79 1.82 1jv3A1 LYS 391 HG2 -0.05 0.25 -0.17 -0.04 1.46 1.46 1jv3A1 LYS 391 HG3 -0.09 -0.13 -0.28 -0.04 1.46 0.93 1jv3A1 LYS 391 HD2 0.00 -0.02 0.08 -0.04 1.69 1.70 1jv3A1 LYS 391 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.65 1jv3A1 LYS 391 HE2 -0.11 -0.01 -0.18 -0.04 2.99 2.65 1jv3A1 LYS 391 HE3 -0.03 -0.05 -0.03 -0.04 2.99 2.84 1jv3A1 PHE 392 H 0.10 0.24 0.05 -0.55 8.34 8.18 1jv3A1 PHE 392 HA -0.18 0.33 0.92 -0.75 4.62 4.94 1jv3A1 PHE 392 HB2 -0.12 0.01 0.02 -0.04 3.15 3.02 1jv3A1 PHE 392 HB3 -0.36 0.01 0.09 -0.04 3.06 2.76 1jv3A1 PHE 392 HD2 -0.77 -0.03 -0.16 -0.04 7.28 6.28 1jv3A1 PHE 392 HE2 -0.93 -0.07 -0.19 -0.04 7.38 6.15 1jv3A1 PHE 392 HZ -0.24 -0.09 -0.11 -0.04 7.32 6.84 1jv3A1 VAL 393 H -0.81 0.46 0.48 -0.55 8.24 7.82 1jv3A1 VAL 393 HA -0.39 0.26 0.97 -0.75 4.13 4.21 1jv3A1 VAL 393 HB -0.00 0.07 0.10 -0.04 2.12 2.24 1jv3A1 VAL 393 HG13 -0.30 0.01 -0.17 -0.04 0.97 0.47 1jv3A1 VAL 393 HG23 -0.30 -0.03 -0.08 -0.04 0.95 0.50 1jv3A1 VAL 394 H -0.09 0.93 0.43 -0.55 8.24 8.96 1jv3A1 VAL 394 HA -0.17 0.16 1.09 -0.75 4.13 4.46 1jv3A1 VAL 394 HB -0.04 0.00 0.01 -0.04 2.12 2.05 1jv3A1 VAL 394 HG13 -0.02 -0.01 -0.15 -0.04 0.97 0.76 1jv3A1 VAL 394 HG23 -0.06 -0.00 -0.23 -0.04 0.95 0.61 1jv3A1 TYR 395 H -0.02 0.66 0.31 -0.55 8.29 8.69 1jv3A1 TYR 395 HA -0.48 0.26 1.00 -0.75 4.56 4.59 1jv3A1 TYR 395 HB2 -0.31 0.03 -0.21 -0.04 3.06 2.53 1jv3A1 TYR 395 HB3 -0.27 -0.06 0.04 -0.04 2.98 2.65 1jv3A1 TYR 395 HD2 -1.09 -0.01 -0.14 -0.04 7.15 5.88 1jv3A1 TYR 395 HE2 -0.25 -0.02 -0.23 -0.04 6.85 6.31 1jv3A1 GLU 396 H -0.44 0.71 0.32 -0.55 8.60 8.63 1jv3A1 GLU 396 HA -0.23 0.30 0.92 -0.75 4.29 4.52 1jv3A1 GLU 396 HB2 -0.15 0.02 -0.04 -0.04 2.09 1.89 1jv3A1 GLU 396 HB3 -0.20 -0.08 0.15 -0.04 1.99 1.82 1jv3A1 GLU 396 HG2 -0.13 0.04 -0.13 -0.04 2.34 2.07 1jv3A1 GLU 396 HG3 -0.11 -0.01 -0.23 -0.04 2.34 1.96 1jv3A1 VAL 397 H -0.19 0.71 0.43 -0.55 8.24 8.64 1jv3A1 VAL 397 HA -0.19 0.03 0.85 -0.75 4.13 4.06 1jv3A1 VAL 397 HB -0.06 -0.01 0.08 -0.04 2.12 2.10 1jv3A1 VAL 397 HG13 -0.23 0.01 -0.26 -0.04 0.97 0.45 1jv3A1 VAL 397 HG23 -0.09 0.06 -0.17 -0.04 0.95 0.71 1jv3A1 LEU 398 H -0.03 0.17 0.14 -0.55 8.37 8.10 1jv3A1 LEU 398 HA -0.02 0.12 0.78 -0.75 4.35 4.48 1jv3A1 LEU 398 HB2 0.02 0.02 0.13 -0.04 1.64 1.77 1jv3A1 LEU 398 HB3 0.01 -0.01 0.04 -0.04 1.64 1.64 1jv3A1 LEU 398 HG -0.02 -0.07 0.02 -0.04 1.64 1.53 1jv3A1 LEU 398 HD13 0.02 0.04 -0.00 -0.04 0.93 0.94 1jv3A1 LEU 398 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.85 1jv3A1 ARG 399 H 0.02 0.20 0.23 -0.55 8.46 8.36 1jv3A1 ARG 399 HA 0.11 0.06 0.31 -0.75 4.34 4.06 1jv3A1 ARG 399 HB2 0.23 0.16 0.15 -0.04 1.90 2.40 1jv3A1 ARG 399 HB3 0.11 0.01 0.16 -0.04 1.80 2.04 1jv3A1 ARG 399 HG2 0.04 -0.06 0.13 -0.04 1.67 1.74 1jv3A1 ARG 399 HG3 0.04 0.05 -0.10 -0.04 1.67 1.62 1jv3A1 ARG 399 HD2 0.04 0.00 0.03 -0.04 3.22 3.25 1jv3A1 ARG 399 HD3 0.10 0.07 0.04 -0.04 3.22 3.38 1jv3A1 GLU 400 H 0.02 0.07 -0.09 -0.55 8.60 8.06 1jv3A1 GLU 400 HA -0.01 0.13 0.36 -0.75 4.29 4.02 1jv3A1 GLU 400 HB2 -0.01 0.10 0.06 -0.04 2.09 2.20 1jv3A1 GLU 400 HB3 -0.00 -0.00 0.09 -0.04 1.99 2.03 1jv3A1 GLU 400 HG2 0.03 -0.01 -0.14 -0.04 2.34 2.17 1jv3A1 GLU 400 HG3 0.02 0.08 -0.07 -0.04 2.34 2.34 1jv3A1 ASP 401 H 0.04 0.13 -0.49 -0.55 8.40 7.53 1jv3A1 ASP 401 HA 0.07 0.20 0.69 -0.75 4.63 4.83 1jv3A1 ASP 401 HB2 0.06 0.01 0.06 -0.04 2.71 2.80 1jv3A1 ASP 401 HB3 0.13 0.03 0.02 -0.04 2.70 2.84 1jv3A1 GLU 402 H 0.06 0.13 -0.10 -0.55 8.60 8.14 1jv3A1 GLU 402 HA 0.05 0.39 0.99 -0.75 4.29 4.97 1jv3A1 GLU 402 HB2 0.04 -0.02 -0.18 -0.04 2.09 1.90 1jv3A1 GLU 402 HB3 0.05 -0.07 -0.01 -0.04 1.99 1.92 1jv3A1 GLU 402 HG2 0.06 0.30 -0.43 -0.04 2.34 2.24 1jv3A1 GLU 402 HG3 0.05 -0.09 -0.24 -0.04 2.34 2.02 1jv3A1 PHE 403 H 0.11 0.74 0.12 -0.55 8.34 8.77 1jv3A1 PHE 403 HA -0.02 0.08 0.79 -0.75 4.62 4.71 1jv3A1 PHE 403 HB2 -0.02 0.05 -0.29 -0.04 3.15 2.84 1jv3A1 PHE 403 HB3 -0.02 -0.08 0.11 -0.04 3.06 3.02 1jv3A1 PHE 403 HD2 -0.01 0.00 -0.01 -0.04 7.28 7.22 1jv3A1 PHE 403 HE2 -0.02 -0.01 -0.06 -0.04 7.38 7.25 1jv3A1 PHE 403 HZ -0.03 0.03 -0.05 -0.04 7.32 7.23 1jv3A1 SER 404 H -0.19 0.06 -0.14 -0.55 8.46 7.64 1jv3A1 SER 404 HA -0.43 0.18 0.66 -0.75 4.49 4.14 1jv3A1 SER 404 HB2 -0.15 0.12 -0.14 -0.04 3.95 3.75 1jv3A1 SER 404 HB3 -0.15 -0.09 0.08 -0.04 3.93 3.73 1jv3A1 PRO 405 HA -0.18 0.12 0.44 -0.51 4.44 4.31 1jv3A1 PRO 405 HB2 -0.13 0.05 -0.15 -0.04 2.28 2.01 1jv3A1 PRO 405 HB3 -0.17 0.01 -0.04 -0.04 2.02 1.78 1jv3A1 PRO 405 HG2 -0.30 -0.01 0.02 -0.04 2.03 1.70 1jv3A1 PRO 405 HG3 -0.48 0.09 -0.03 -0.04 2.03 1.57 1jv3A1 PRO 405 HD2 -0.62 0.11 0.09 -0.04 3.68 3.23 1jv3A1 PRO 405 HD3 -1.96 0.14 -0.17 -0.04 3.65 1.62 1jv3A1 LEU 406 H -0.11 0.32 0.11 -0.55 8.37 8.14 1jv3A1 LEU 406 HA -0.15 0.14 0.66 -0.75 4.35 4.25 1jv3A1 LEU 406 HB2 -0.15 0.01 0.00 -0.04 1.64 1.46 1jv3A1 LEU 406 HB3 -0.14 0.04 0.27 -0.04 1.64 1.77 1jv3A1 LEU 406 HG -0.26 -0.03 -0.20 -0.04 1.64 1.11 1jv3A1 LEU 406 HD13 -0.27 0.02 -0.16 -0.04 0.93 0.47 1jv3A1 LEU 406 HD23 -0.41 -0.01 -0.05 -0.04 0.89 0.37 1jv3A1 LYS 407 H -0.12 0.75 0.28 -0.55 8.42 8.77 1jv3A1 LYS 407 HA -0.08 0.13 1.00 -0.75 4.32 4.61 1jv3A1 LYS 407 HB2 -0.08 0.08 -0.00 -0.04 1.87 1.84 1jv3A1 LYS 407 HB3 -0.05 -0.04 0.07 -0.04 1.79 1.73 1jv3A1 LYS 407 HG2 -0.09 -0.08 -0.36 -0.04 1.46 0.90 1jv3A1 LYS 407 HG3 -0.07 0.04 -0.07 -0.04 1.46 1.32 1jv3A1 LYS 407 HD2 -0.02 -0.00 -0.01 -0.04 1.69 1.62 1jv3A1 LYS 407 HD3 -0.04 0.05 -0.23 -0.04 1.68 1.42 1jv3A1 LYS 407 HE2 0.01 -0.03 -0.11 -0.04 2.99 2.83 1jv3A1 LYS 407 HE3 0.01 0.08 -0.03 -0.04 2.99 3.00 1jv3A1 ASN 408 H -0.11 0.57 0.41 -0.55 8.53 8.86 1jv3A1 ASN 408 HA -0.07 0.19 1.04 -0.75 4.76 5.17 1jv3A1 ASN 408 HB2 -0.07 0.12 -0.02 -0.04 2.88 2.88 1jv3A1 ASN 408 HB3 -0.05 -0.07 0.14 -0.04 2.79 2.77 1jv3A1 ASN 408 HD21 -0.07 -0.04 -0.09 -0.04 7.03 6.79 1jv3A1 ASN 408 HD22 -0.07 0.54 0.00 -0.04 7.74 8.17 1jv3A1 ALA 409 H -0.05 0.19 0.16 -0.55 8.40 8.16 1jv3A1 ALA 409 HA -0.07 0.11 0.64 -0.75 4.34 4.27 1jv3A1 ALA 409 HB3 -0.02 0.03 0.11 -0.04 1.41 1.49 1jv3A1 ASP 410 H -0.01 0.19 0.19 -0.55 8.40 8.22 1jv3A1 ASP 410 HA -0.03 0.02 0.37 -0.75 4.63 4.24 1jv3A1 ASP 410 HB2 0.00 0.01 0.15 -0.04 2.71 2.83 1jv3A1 ASP 410 HB3 -0.01 0.10 -0.03 -0.04 2.70 2.72 1jv3A1 SER 411 H -0.01 0.04 -0.19 -0.55 8.46 7.75 1jv3A1 SER 411 HA -0.01 0.18 0.50 -0.75 4.49 4.40 1jv3A1 SER 411 HB2 -0.01 0.06 0.15 -0.04 3.95 4.11 1jv3A1 SER 411 HB3 -0.00 -0.02 0.07 -0.04 3.93 3.94 1jv3A1 GLN 412 H -0.02 0.24 -0.68 -0.55 8.47 7.46 1jv3A1 GLN 412 HA -0.01 0.25 0.83 -0.75 4.36 4.66 1jv3A1 GLN 412 HB2 -0.03 0.14 0.18 -0.04 2.15 2.40 1jv3A1 GLN 412 HB3 -0.02 -0.14 0.24 -0.04 2.02 2.06 1jv3A1 GLN 412 HG2 -0.01 0.06 0.03 -0.04 2.40 2.44 1jv3A1 GLN 412 HG3 -0.02 -0.02 -0.18 -0.04 2.39 2.13 1jv3A1 GLN 412 HE21 -0.03 0.44 0.20 -0.04 6.97 7.54 1jv3A1 GLN 412 HE22 -0.02 -0.00 0.04 -0.04 7.69 7.67 1jv3A1 ASN 413 H -0.03 0.09 0.12 -0.55 8.53 8.17 1jv3A1 ASN 413 HA -0.02 0.22 0.56 -0.75 4.76 4.77 1jv3A1 ASN 413 HB2 -0.02 0.03 0.11 -0.04 2.88 2.96 1jv3A1 ASN 413 HB3 -0.02 0.03 0.09 -0.04 2.79 2.85 1jv3A1 ASN 413 HD21 -0.05 0.02 -0.06 -0.04 7.03 6.90 1jv3A1 ASN 413 HD22 -0.04 0.03 -0.07 -0.04 7.74 7.62 1jv3A1 GLY 414 H -0.03 0.07 -0.26 -0.55 8.43 7.65 1jv3A1 GLY 414 HA2 -0.03 0.06 0.23 -0.51 4.01 3.76 1jv3A1 GLY 414 HA3 -0.03 0.22 0.65 -0.51 4.01 4.34 1jv3A1 LYS 415 H -0.05 0.12 -0.10 -0.55 8.42 7.83 1jv3A1 LYS 415 HA -0.06 0.19 0.86 -0.75 4.32 4.56 1jv3A1 LYS 415 HB2 -0.06 0.01 -0.10 -0.04 1.87 1.68 1jv3A1 LYS 415 HB3 -0.07 -0.05 0.06 -0.04 1.79 1.69 1jv3A1 LYS 415 HG2 -0.05 0.16 -0.12 -0.04 1.46 1.41 1jv3A1 LYS 415 HG3 -0.04 0.05 -0.33 -0.04 1.46 1.10 1jv3A1 LYS 415 HD2 -0.05 -0.04 -0.01 -0.04 1.69 1.55 1jv3A1 LYS 415 HD3 -0.04 0.03 -0.04 -0.04 1.68 1.60 1jv3A1 LYS 415 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.86 1jv3A1 LYS 415 HE3 -0.03 0.05 -0.07 -0.04 2.99 2.89 1jv3A1 ASP 416 H -0.10 0.18 0.13 -0.55 8.40 8.06 1jv3A1 ASP 416 HA -0.14 0.17 0.41 -0.75 4.63 4.32 1jv3A1 ASP 416 HB2 -0.10 0.04 -0.03 -0.04 2.71 2.57 1jv3A1 ASP 416 HB3 -0.14 0.01 0.08 -0.04 2.70 2.61 1jv3A1 ASN 417 H -0.09 -0.03 -0.12 -0.55 8.53 7.74 1jv3A1 ASN 417 HA -0.12 0.34 0.92 -0.75 4.76 5.15 1jv3A1 ASN 417 HB2 -0.06 -0.03 -0.08 -0.04 2.88 2.66 1jv3A1 ASN 417 HB3 -0.07 0.16 -0.39 -0.04 2.79 2.44 1jv3A1 ASN 417 HD21 -0.05 0.14 -0.26 -0.04 7.03 6.82 1jv3A1 ASN 417 HD22 -0.05 0.05 -0.29 -0.04 7.74 7.41 1jv3A1 PRO 418 HA -0.07 0.06 0.45 -0.51 4.44 4.37 1jv3A1 PRO 418 HB2 0.05 0.04 0.09 -0.04 2.28 2.42 1jv3A1 PRO 418 HB3 0.14 0.09 0.12 -0.04 2.02 2.33 1jv3A1 PRO 418 HG2 -0.01 0.06 0.12 -0.04 2.03 2.15 1jv3A1 PRO 418 HG3 -0.40 0.04 0.06 -0.04 2.03 1.70 1jv3A1 PRO 418 HD2 -0.05 -0.02 0.22 -0.04 3.68 3.79 1jv3A1 PRO 418 HD3 -0.15 0.46 0.32 -0.04 3.65 4.24 1jv3A1 THR 419 H -0.01 0.10 -0.16 -0.55 8.28 7.66 1jv3A1 THR 419 HA 0.08 0.19 0.45 -0.75 4.39 4.36 1jv3A1 THR 419 HB -0.00 -0.04 0.01 -0.04 4.32 4.25 1jv3A1 THR 419 HG23 0.06 0.03 -0.08 -0.04 1.22 1.19 1jv3A1 THR 420 H -0.03 0.01 -0.23 -0.55 8.28 7.49 1jv3A1 THR 420 HA -0.01 0.14 0.45 -0.75 4.39 4.21 1jv3A1 THR 420 HB -0.08 0.06 0.07 -0.04 4.32 4.33 1jv3A1 THR 420 HG23 -0.06 0.01 0.03 -0.04 1.22 1.15 1jv3A1 ALA 421 H -0.06 0.44 -0.26 -0.55 8.40 7.98 1jv3A1 ALA 421 HA -0.10 0.04 0.35 -0.75 4.34 3.88 1jv3A1 ALA 421 HB3 -0.09 0.01 0.04 -0.04 1.41 1.33 1jv3A1 ARG 422 H -0.05 0.68 0.04 -0.55 8.46 8.58 1jv3A1 ARG 422 HA -0.13 -0.03 0.31 -0.75 4.34 3.74 1jv3A1 ARG 422 HB2 -0.16 -0.07 -0.13 -0.04 1.90 1.51 1jv3A1 ARG 422 HB3 -0.08 0.05 -0.10 -0.04 1.80 1.63 1jv3A1 ARG 422 HG2 -0.06 0.08 0.16 -0.04 1.67 1.81 1jv3A1 ARG 422 HG3 -0.40 -0.01 -0.14 -0.04 1.67 1.08 1jv3A1 ARG 422 HD2 -0.19 0.03 -0.07 -0.04 3.22 2.95 1jv3A1 ARG 422 HD3 -0.07 0.10 0.03 -0.04 3.22 3.24 1jv3A1 HIS 423 H 0.02 0.45 -0.31 -0.55 8.41 8.02 1jv3A1 HIS 423 HA -0.10 0.05 0.47 -0.75 4.63 4.29 1jv3A1 HIS 423 HB2 -0.08 0.10 0.14 -0.04 3.26 3.39 1jv3A1 HIS 423 HB3 -0.08 -0.04 0.01 -0.04 3.20 3.04 1jv3A1 HIS 423 HD2 -0.08 -0.01 0.01 -0.04 6.97 6.84 1jv3A1 HIS 423 HE1 -0.04 -0.03 0.00 -0.04 7.75 7.64 1jv3A1 ALA 424 H -0.05 0.50 -0.18 -0.55 8.40 8.12 1jv3A1 ALA 424 HA -0.07 0.02 0.52 -0.75 4.34 4.05 1jv3A1 ALA 424 HB3 -0.10 0.02 0.11 -0.04 1.41 1.40 1jv3A1 LEU 425 H -0.17 0.45 -0.12 -0.55 8.37 7.98 1jv3A1 LEU 425 HA -0.38 0.07 0.43 -0.75 4.35 3.71 1jv3A1 LEU 425 HB2 -0.22 -0.00 0.08 -0.04 1.64 1.46 1jv3A1 LEU 425 HB3 -0.27 0.07 0.19 -0.04 1.64 1.59 1jv3A1 LEU 425 HG -0.23 -0.06 -0.00 -0.04 1.64 1.31 1jv3A1 LEU 425 HD13 -0.68 -0.02 -0.10 -0.04 0.93 0.09 1jv3A1 LEU 425 HD23 -0.34 0.02 -0.02 -0.04 0.89 0.50 1jv3A1 MET 426 H -0.24 0.63 0.08 -0.55 8.47 8.39 1jv3A1 MET 426 HA -0.25 0.24 0.56 -0.75 4.52 4.32 1jv3A1 MET 426 HB2 -0.20 0.06 0.20 -0.04 2.15 2.16 1jv3A1 MET 426 HB3 -0.17 -0.08 0.21 -0.04 2.03 1.95 1jv3A1 MET 426 HG2 -0.16 0.10 0.12 -0.04 2.63 2.65 1jv3A1 MET 426 HG3 -0.21 0.10 0.16 -0.04 2.56 2.57 1jv3A1 MET 426 HE3 -0.41 0.01 -0.14 -0.04 2.10 1.52 1jv3A1 SER 427 H -0.13 0.55 -0.26 -0.55 8.46 8.07 1jv3A1 SER 427 HA -0.02 0.03 0.51 -0.75 4.49 4.25 1jv3A1 SER 427 HB2 -0.03 -0.02 0.15 -0.04 3.95 4.02 1jv3A1 SER 427 HB3 -0.06 0.14 0.23 -0.04 3.93 4.20 1jv3A1 LEU 428 H -0.22 0.55 -0.13 -0.55 8.37 8.03 1jv3A1 LEU 428 HA -0.18 -0.03 0.44 -0.75 4.35 3.83 1jv3A1 LEU 428 HB2 -0.23 0.16 0.22 -0.04 1.64 1.75 1jv3A1 LEU 428 HB3 -0.48 0.11 0.25 -0.04 1.64 1.48 1jv3A1 LEU 428 HG -1.15 -0.08 -0.23 -0.04 1.64 0.14 1jv3A1 LEU 428 HD13 0.04 -0.01 0.00 -0.04 0.93 0.93 1jv3A1 LEU 428 HD23 -0.10 0.01 0.05 -0.04 0.89 0.82 1jv3A1 HIS 429 H -0.42 0.68 -0.00 -0.55 8.41 8.12 1jv3A1 HIS 429 HA -0.76 -0.03 0.38 -0.75 4.63 3.47 1jv3A1 HIS 429 HB2 -0.23 0.26 -0.00 -0.04 3.26 3.25 1jv3A1 HIS 429 HB3 -0.13 -0.12 -0.18 -0.04 3.20 2.73 1jv3A1 HIS 429 HD2 -1.73 -0.10 -0.16 -0.04 6.97 4.93 1jv3A1 HIS 429 HE1 -0.12 0.13 0.08 -0.04 7.75 7.80 1jv3A1 HIS 430 H 0.00 0.64 -0.29 -0.55 8.41 8.22 1jv3A1 HIS 430 HA -0.00 -0.05 0.35 -0.75 4.63 4.18 1jv3A1 HIS 430 HB2 -0.24 0.01 0.07 -0.04 3.26 3.06 1jv3A1 HIS 430 HB3 -0.13 0.19 0.26 -0.04 3.20 3.48 1jv3A1 HIS 430 HD2 -0.07 0.01 0.06 -0.04 6.97 6.93 1jv3A1 HIS 430 HE1 0.03 -0.00 -0.06 -0.04 7.75 7.68 1jv3A1 CYS 431 H -0.06 0.58 -0.18 -0.55 8.50 8.29 1jv3A1 CYS 431 HA -0.18 -0.03 0.43 -0.75 4.58 4.04 1jv3A1 CYS 431 HB2 -0.01 0.19 0.21 -0.04 2.97 3.32 1jv3A1 CYS 431 HB3 0.06 -0.11 0.03 -0.04 2.97 2.90 1jv3A1 TRP 432 H 0.16 0.47 -0.18 -0.55 7.97 7.86 1jv3A1 TRP 432 HA -0.01 -0.01 0.39 -0.75 4.62 4.23 1jv3A1 TRP 432 HB2 -0.03 0.16 0.09 -0.04 3.23 3.42 1jv3A1 TRP 432 HB3 -0.05 -0.05 -0.05 -0.04 3.23 3.04 1jv3A1 TRP 432 HD1 0.01 -0.05 -0.12 -0.04 7.22 7.02 1jv3A1 TRP 432 HE1 0.02 -0.01 -0.15 -0.04 10.20 10.02 1jv3A1 TRP 432 HE3 -0.35 0.02 -0.09 -0.04 7.59 7.12 1jv3A1 TRP 432 HZ2 -0.01 0.07 -0.06 -0.04 7.44 7.40 1jv3A1 TRP 432 HZ3 -0.44 0.17 -0.15 -0.04 7.13 6.67 1jv3A1 TRP 432 HH2 -0.08 0.30 -0.15 -0.04 7.19 7.22 1jv3A1 VAL 433 H 0.23 0.51 -0.29 -0.55 8.24 8.14 1jv3A1 VAL 433 HA 0.08 -0.02 0.35 -0.75 4.13 3.79 1jv3A1 VAL 433 HB 0.35 0.17 0.04 -0.04 2.12 2.65 1jv3A1 VAL 433 HG13 -0.07 -0.01 -0.27 -0.04 0.97 0.58 1jv3A1 VAL 433 HG23 0.13 0.03 -0.09 -0.04 0.95 0.99 1jv3A1 LEU 434 H 0.05 0.46 -0.11 -0.55 8.37 8.22 1jv3A1 LEU 434 HA -0.08 0.32 0.41 -0.75 4.35 4.25 1jv3A1 LEU 434 HB2 -0.10 0.07 0.17 -0.04 1.64 1.74 1jv3A1 LEU 434 HB3 -0.03 -0.05 -0.02 -0.04 1.64 1.50 1jv3A1 LEU 434 HG 0.02 0.03 0.06 -0.04 1.64 1.71 1jv3A1 LEU 434 HD13 0.22 0.03 -0.14 -0.04 0.93 1.00 1jv3A1 LEU 434 HD23 -0.13 -0.01 -0.01 -0.04 0.89 0.69 1jv3A1 ASN 435 H 0.05 0.66 -0.14 -0.55 8.53 8.55 1jv3A1 ASN 435 HA 0.01 0.02 0.42 -0.75 4.76 4.45 1jv3A1 ASN 435 HB2 0.07 0.12 0.11 -0.04 2.88 3.15 1jv3A1 ASN 435 HB3 0.02 -0.08 0.05 -0.04 2.79 2.75 1jv3A1 ASN 435 HD21 0.07 -0.09 -0.03 -0.04 7.03 6.95 1jv3A1 ASN 435 HD22 0.13 0.00 -0.08 -0.04 7.74 7.75 1jv3A1 ALA 436 H 0.02 0.35 -0.51 -0.55 8.40 7.72 1jv3A1 ALA 436 HA -0.00 0.03 0.62 -0.75 4.34 4.23 1jv3A1 ALA 436 HB3 0.02 -0.02 0.02 -0.04 1.41 1.38 1jv3A1 GLY 437 H -0.04 0.48 -0.47 -0.55 8.43 7.85 1jv3A1 GLY 437 HA2 -0.05 0.02 0.31 -0.51 4.01 3.78 1jv3A1 GLY 437 HA3 -0.01 0.02 0.75 -0.51 4.01 4.27 1jv3A1 GLY 438 H -0.06 0.46 -0.10 -0.55 8.43 8.17 1jv3A1 GLY 438 HA2 -0.02 0.30 0.67 -0.51 4.01 4.45 1jv3A1 GLY 438 HA3 0.04 -0.09 0.20 -0.51 4.01 3.65 1jv3A1 HIS 439 H 0.04 0.46 0.32 -0.55 8.41 8.68 1jv3A1 HIS 439 HA 0.11 0.11 0.70 -0.75 4.63 4.79 1jv3A1 HIS 439 HB2 -0.05 -0.04 -0.09 -0.04 3.26 3.04 1jv3A1 HIS 439 HB3 0.04 -0.03 0.08 -0.04 3.20 3.25 1jv3A1 HIS 439 HD2 -0.02 0.08 -0.26 -0.04 6.97 6.72 1jv3A1 HIS 439 HE1 0.03 -0.09 -0.05 -0.04 7.75 7.59 1jv3A1 PHE 440 H 0.34 0.24 0.22 -0.55 8.34 8.59 1jv3A1 PHE 440 HA 0.15 0.26 1.09 -0.75 4.62 5.37 1jv3A1 PHE 440 HB2 0.15 0.00 0.08 -0.04 3.15 3.34 1jv3A1 PHE 440 HB3 0.09 0.02 0.08 -0.04 3.06 3.21 1jv3A1 PHE 440 HD2 0.19 0.00 -0.11 -0.04 7.28 7.32 1jv3A1 PHE 440 HE2 0.13 0.01 -0.13 -0.04 7.38 7.35 1jv3A1 PHE 440 HZ 0.05 -0.03 -0.13 -0.04 7.32 7.17 1jv3A1 ILE 441 H 0.08 0.67 0.33 -0.55 8.25 8.78 1jv3A1 ILE 441 HA 0.06 0.19 0.97 -0.75 4.18 4.64 1jv3A1 ILE 441 HB -0.07 -0.16 -0.24 -0.04 1.89 1.38 1jv3A1 ILE 441 HG12 -0.27 -0.05 -0.32 -0.04 1.49 0.80 1jv3A1 ILE 441 HG13 -0.60 0.06 -0.30 -0.04 1.21 0.33 1jv3A1 ILE 441 HG23 -0.06 -0.02 -0.56 -0.04 0.93 0.25 1jv3A1 ILE 441 HD13 -0.36 -0.01 -0.22 -0.04 0.88 0.24 1jv3A1 ASP 442 H 0.05 0.42 0.17 -0.55 8.40 8.50 1jv3A1 ASP 442 HA 0.13 0.23 0.70 -0.75 4.63 4.93 1jv3A1 ASP 442 HB2 0.07 -0.10 0.24 -0.04 2.71 2.88 1jv3A1 ASP 442 HB3 0.06 0.11 0.09 -0.04 2.70 2.92 1jv3A1 GLU 443 H 0.09 0.15 0.17 -0.55 8.60 8.47 1jv3A1 GLU 443 HA 0.12 0.20 0.44 -0.75 4.29 4.29 1jv3A1 GLU 443 HB2 0.04 -0.04 0.09 -0.04 2.09 2.14 1jv3A1 GLU 443 HB3 0.02 0.05 0.09 -0.04 1.99 2.11 1jv3A1 GLU 443 HG2 0.02 0.03 0.05 -0.04 2.34 2.40 1jv3A1 GLU 443 HG3 0.04 0.09 0.05 -0.04 2.34 2.47 1jv3A1 ASN 444 H 0.07 -0.03 -0.22 -0.55 8.53 7.80 1jv3A1 ASN 444 HA 0.05 0.28 0.79 -0.75 4.76 5.12 1jv3A1 ASN 444 HB2 0.03 -0.08 -0.00 -0.04 2.88 2.80 1jv3A1 ASN 444 HB3 0.03 0.06 0.12 -0.04 2.79 2.96 1jv3A1 ASN 444 HD21 0.02 0.02 -0.02 -0.04 7.03 7.02 1jv3A1 ASN 444 HD22 0.03 -0.01 -0.00 -0.04 7.74 7.71 1jv3A1 GLY 445 H 0.12 0.34 -0.49 -0.55 8.43 7.85 1jv3A1 GLY 445 HA2 -0.02 0.09 0.16 -0.51 4.01 3.73 1jv3A1 GLY 445 HA3 0.02 0.15 0.51 -0.51 4.01 4.17 1jv3A1 SER 446 H 0.03 -0.15 -0.25 -0.55 8.46 7.55 1jv3A1 SER 446 HA 0.00 0.17 0.59 -0.75 4.49 4.50 1jv3A1 SER 446 HB2 0.03 -0.15 0.02 -0.04 3.95 3.81 1jv3A1 SER 446 HB3 0.02 0.12 -0.04 -0.04 3.93 3.99 1jv3A1 ARG 447 H -0.00 0.12 0.14 -0.55 8.46 8.16 1jv3A1 ARG 447 HA 0.03 0.21 0.61 -0.75 4.34 4.44 1jv3A1 ARG 447 HB2 -0.03 -0.04 0.13 -0.04 1.90 1.92 1jv3A1 ARG 447 HB3 0.01 -0.04 0.03 -0.04 1.80 1.77 1jv3A1 ARG 447 HG2 0.08 0.11 0.04 -0.04 1.67 1.87 1jv3A1 ARG 447 HG3 -0.00 0.02 -0.01 -0.04 1.67 1.64 1jv3A1 ARG 447 HD2 -0.12 -0.06 -0.01 -0.04 3.22 2.99 1jv3A1 ARG 447 HD3 -0.19 0.02 -0.03 -0.04 3.22 2.99 1jv3A1 LEU 448 H 0.12 0.68 0.32 -0.55 8.37 8.95 1jv3A1 LEU 448 HA 0.07 0.06 0.67 -0.75 4.35 4.39 1jv3A1 LEU 448 HB2 0.18 -0.01 -0.03 -0.04 1.64 1.73 1jv3A1 LEU 448 HB3 0.08 0.05 -0.00 -0.04 1.64 1.72 1jv3A1 LEU 448 HG 0.10 -0.03 -0.24 -0.04 1.64 1.43 1jv3A1 LEU 448 HD13 0.09 -0.01 -0.16 -0.04 0.93 0.82 1jv3A1 LEU 448 HD23 0.05 -0.01 -0.10 -0.04 0.89 0.79 1jv3A1 PRO 449 HA 0.09 0.10 0.50 -0.51 4.44 4.62 1jv3A1 PRO 449 HB2 0.05 -0.05 0.02 -0.04 2.28 2.26 1jv3A1 PRO 449 HB3 0.05 0.04 0.07 -0.04 2.02 2.13 1jv3A1 PRO 449 HG2 0.04 0.01 -0.35 -0.04 2.03 1.69 1jv3A1 PRO 449 HG3 0.03 0.02 0.01 -0.04 2.03 2.05 1jv3A1 PRO 449 HD2 0.05 0.03 0.15 -0.04 3.68 3.87 1jv3A1 PRO 449 HD3 0.05 0.16 0.17 -0.04 3.65 3.99 1jv3A1 ALA 450 H 0.09 0.11 0.12 -0.55 8.40 8.17 1jv3A1 ALA 450 HA 0.20 0.11 0.39 -0.75 4.34 4.29 1jv3A1 ALA 450 HB3 0.06 0.00 0.08 -0.04 1.41 1.51 1jv3A1 ILE 451 H 0.06 0.05 -0.25 -0.55 8.25 7.57 1jv3A1 ILE 451 HA 0.05 0.24 0.87 -0.75 4.18 4.58 1jv3A1 ILE 451 HB 0.03 -0.06 0.08 -0.04 1.89 1.89 1jv3A1 ILE 451 HG12 0.04 0.08 -0.10 -0.04 1.49 1.48 1jv3A1 ILE 451 HG13 0.05 -0.13 -0.33 -0.04 1.21 0.76 1jv3A1 ILE 451 HG23 0.01 0.03 -0.08 -0.04 0.93 0.85 1jv3A1 ILE 451 HD13 0.02 -0.01 -0.04 -0.04 0.88 0.81 1jv3A1 PRO 452 HA 0.00 -0.01 0.31 -0.51 4.44 4.23 1jv3A1 PRO 452 HB2 -0.03 0.07 -0.22 -0.04 2.28 2.06 1jv3A1 PRO 452 HB3 -0.05 0.03 0.04 -0.04 2.02 1.99 1jv3A1 PRO 452 HG2 -0.03 0.00 -0.06 -0.04 2.03 1.90 1jv3A1 PRO 452 HG3 -0.06 -0.01 0.01 -0.04 2.03 1.93 1jv3A1 PRO 452 HD2 -0.01 0.07 0.10 -0.04 3.68 3.81 1jv3A1 PRO 452 HD3 -0.03 0.24 0.14 -0.04 3.65 3.95 1jv3A1 ARG 453 H 0.00 0.13 0.13 -0.55 8.46 8.18 1jv3A1 ARG 453 HA -0.00 0.12 0.61 -0.75 4.34 4.31 1jv3A1 ARG 453 HB2 0.00 0.00 0.12 -0.04 1.90 1.99 1jv3A1 ARG 453 HB3 0.00 0.00 0.07 -0.04 1.80 1.83 1jv3A1 ARG 453 HG2 0.01 0.00 0.04 -0.04 1.67 1.68 1jv3A1 ARG 453 HG3 0.01 -0.05 0.17 -0.04 1.67 1.76 1jv3A1 ARG 453 HD2 0.01 -0.04 0.07 -0.04 3.22 3.22 1jv3A1 ARG 453 HD3 0.01 -0.00 0.03 -0.04 3.22 3.22 1jv3A1 LEU 454 H -0.01 0.26 -0.03 -0.55 8.37 8.04 1jv3A1 LEU 454 HA -0.01 0.09 0.73 -0.75 4.35 4.40 1jv3A1 LEU 454 HB2 -0.02 -0.00 0.12 -0.04 1.64 1.69 1jv3A1 LEU 454 HB3 -0.02 0.11 -0.07 -0.04 1.64 1.61 1jv3A1 LEU 454 HG -0.02 0.04 -0.44 -0.04 1.64 1.18 1jv3A1 LEU 454 HD13 -0.05 0.00 -0.10 -0.04 0.93 0.75 1jv3A1 LEU 454 HD23 -0.02 0.04 -0.49 -0.04 0.89 0.37 1jv3A1 LYS 455 H -0.01 0.10 -0.02 -0.55 8.42 7.95 1jv3A1 LYS 455 HA -0.01 0.26 0.91 -0.75 4.32 4.73 1jv3A1 LYS 455 HB2 -0.00 -0.03 0.01 -0.04 1.87 1.81 1jv3A1 LYS 455 HB3 -0.00 0.01 0.00 -0.04 1.79 1.76 1jv3A1 LYS 455 HG2 -0.00 -0.07 -0.27 -0.04 1.46 1.08 1jv3A1 LYS 455 HG3 -0.00 0.01 -0.07 -0.04 1.46 1.36 1jv3A1 LYS 455 HD2 -0.00 0.03 -0.03 -0.04 1.69 1.64 1jv3A1 LYS 455 HD3 -0.01 0.07 -0.38 -0.04 1.68 1.33 1jv3A1 LYS 455 HE2 -0.00 0.03 -0.05 -0.04 2.99 2.92 1jv3A1 LYS 455 HE3 -0.00 -0.02 -0.07 -0.04 2.99 2.86 1jv3A1 ASP 456 H -0.00 0.01 0.12 -0.55 8.40 7.97 1jv3A1 ASP 456 HA -0.00 0.27 0.93 -0.75 4.63 5.07 1jv3A1 ASP 456 HB2 0.00 -0.04 0.06 -0.04 2.71 2.69 1jv3A1 ASP 456 HB3 -0.00 -0.05 0.12 -0.04 2.70 2.73 1jv3A1 ALA 457 H -0.00 0.14 0.15 -0.55 8.40 8.14 1jv3A1 ALA 457 HA -0.01 0.14 0.32 -0.75 4.34 4.03 1jv3A1 ALA 457 HB3 -0.00 0.00 0.09 -0.04 1.41 1.46 1jv3A1 ASN 458 H -0.00 -0.04 -0.20 -0.55 8.53 7.74 1jv3A1 ASN 458 HA 0.00 0.21 0.56 -0.75 4.76 4.77 1jv3A1 ASN 458 HB2 0.00 -0.06 0.01 -0.04 2.88 2.79 1jv3A1 ASN 458 HB3 0.00 0.04 0.05 -0.04 2.79 2.85 1jv3A1 ASN 458 HD21 0.00 0.01 -0.01 -0.04 7.03 6.99 1jv3A1 ASN 458 HD22 0.00 -0.01 0.00 -0.04 7.74 7.69 1jv3A1 ASP 459 H -0.00 0.13 -0.38 -0.55 8.40 7.60 1jv3A1 ASP 459 HA 0.00 -0.00 0.43 -0.75 4.63 4.30 1jv3A1 ASP 459 HB2 -0.01 0.14 0.07 -0.04 2.71 2.87 1jv3A1 ASP 459 HB3 -0.01 0.09 0.02 -0.04 2.70 2.76 1jv3A1 VAL 460 H -0.01 0.19 0.22 -0.55 8.24 8.10 1jv3A1 VAL 460 HA -0.00 0.18 0.78 -0.75 4.13 4.33 1jv3A1 VAL 460 HB 0.02 0.02 0.07 -0.04 2.12 2.19 1jv3A1 VAL 460 HG13 0.01 0.05 -0.26 -0.04 0.97 0.73 1jv3A1 VAL 460 HG23 -0.00 -0.00 -0.05 -0.04 0.95 0.85 1jv3A1 PRO 461 HA -0.08 0.06 0.53 -0.51 4.44 4.44 1jv3A1 PRO 461 HB2 -0.04 0.11 0.01 -0.04 2.28 2.31 1jv3A1 PRO 461 HB3 -0.04 0.01 0.08 -0.04 2.02 2.03 1jv3A1 PRO 461 HG2 0.17 0.03 -0.01 -0.04 2.03 2.18 1jv3A1 PRO 461 HG3 0.07 0.02 0.04 -0.04 2.03 2.12 1jv3A1 PRO 461 HD2 0.06 0.11 0.19 -0.04 3.68 4.01 1jv3A1 PRO 461 HD3 -0.02 0.14 0.07 -0.04 3.65 3.79 1jv3A1 ILE 462 H -0.27 0.11 0.12 -0.55 8.25 7.66 1jv3A1 ILE 462 HA -0.20 0.04 0.42 -0.75 4.18 3.68 1jv3A1 ILE 462 HB -0.88 0.01 0.12 -0.04 1.89 1.10 1jv3A1 ILE 462 HG12 -0.26 -0.01 0.02 -0.04 1.49 1.19 1jv3A1 ILE 462 HG13 -0.24 -0.03 0.03 -0.04 1.21 0.93 1jv3A1 ILE 462 HG23 -1.04 -0.01 -0.25 -0.04 0.93 -0.41 1jv3A1 ILE 462 HD13 -0.35 0.01 -0.04 -0.04 0.88 0.47 1jv3A1 GLN 463 H -0.12 0.12 0.19 -0.55 8.47 8.12 1jv3A1 GLN 463 HA -0.14 0.15 0.87 -0.75 4.36 4.49 1jv3A1 GLN 463 HB2 -0.04 -0.04 0.21 -0.04 2.15 2.24 1jv3A1 GLN 463 HB3 -0.06 -0.03 0.03 -0.04 2.02 1.92 1jv3A1 GLN 463 HG2 -0.13 -0.00 -0.02 -0.04 2.40 2.20 1jv3A1 GLN 463 HG3 -0.08 0.17 -0.11 -0.04 2.39 2.32 1jv3A1 GLN 463 HE21 -0.02 -0.02 -0.02 -0.04 6.97 6.87 1jv3A1 GLN 463 HE22 -0.03 0.07 -0.04 -0.04 7.69 7.65 1jv3A1 CYS 464 H -0.11 0.31 0.21 -0.55 8.50 8.36 1jv3A1 CYS 464 HA 0.05 0.28 0.94 -0.75 4.58 5.09 1jv3A1 CYS 464 HB2 -0.04 -0.01 -0.22 -0.04 2.97 2.65 1jv3A1 CYS 464 HB3 -0.00 0.07 -0.06 -0.04 2.97 2.94 1jv3A1 GLU 465 H 0.06 0.65 0.29 -0.55 8.60 9.05 1jv3A1 GLU 465 HA 0.20 0.14 0.74 -0.75 4.29 4.61 1jv3A1 GLU 465 HB2 -0.01 0.01 -0.14 -0.04 2.09 1.92 1jv3A1 GLU 465 HB3 0.04 -0.04 0.07 -0.04 1.99 2.01 1jv3A1 GLU 465 HG2 0.11 0.08 -0.33 -0.04 2.34 2.17 1jv3A1 GLU 465 HG3 -0.00 0.06 0.02 -0.04 2.34 2.38 1jv3A1 ILE 466 H 0.54 0.24 0.09 -0.55 8.25 8.57 1jv3A1 ILE 466 HA -0.01 0.19 1.05 -0.75 4.18 4.65 1jv3A1 ILE 466 HB -0.26 0.00 0.06 -0.04 1.89 1.65 1jv3A1 ILE 466 HG12 -0.03 0.00 -0.15 -0.04 1.49 1.27 1jv3A1 ILE 466 HG13 -0.01 0.00 -0.28 -0.04 1.21 0.88 1jv3A1 ILE 466 HG23 -0.00 0.05 -0.10 -0.04 0.93 0.84 1jv3A1 ILE 466 HD13 0.21 0.01 -0.12 -0.04 0.88 0.94 1jv3A1 SER 467 H 0.01 0.54 0.31 -0.55 8.46 8.78 1jv3A1 SER 467 HA 0.07 0.10 0.51 -0.75 4.49 4.42 1jv3A1 SER 467 HB2 0.04 0.01 0.18 -0.04 3.95 4.14 1jv3A1 SER 467 HB3 0.02 0.01 0.26 -0.04 3.93 4.18 1jv3A1 PRO 468 HA 0.11 0.41 0.41 -0.51 4.44 4.87 1jv3A1 PRO 468 HB2 0.08 -0.01 -0.29 -0.04 2.28 2.01 1jv3A1 PRO 468 HB3 0.10 0.05 -0.02 -0.04 2.02 2.11 1jv3A1 PRO 468 HG2 0.05 0.09 0.13 -0.04 2.03 2.26 1jv3A1 PRO 468 HG3 0.09 0.13 0.12 -0.04 2.03 2.33 1jv3A1 PRO 468 HD2 0.06 0.01 0.23 -0.04 3.68 3.94 1jv3A1 PRO 468 HD3 0.09 0.15 0.27 -0.04 3.65 4.12 1jv3A1 LEU 469 H 0.06 0.02 -0.28 -0.55 8.37 7.63 1jv3A1 LEU 469 HA 0.05 0.11 0.33 -0.75 4.35 4.09 1jv3A1 LEU 469 HB2 0.04 -0.12 -0.05 -0.04 1.64 1.48 1jv3A1 LEU 469 HB3 0.04 0.06 0.02 -0.04 1.64 1.73 1jv3A1 LEU 469 HG 0.06 -0.08 0.05 -0.04 1.64 1.63 1jv3A1 LEU 469 HD13 0.06 -0.00 0.02 -0.04 0.93 0.97 1jv3A1 LEU 469 HD23 0.06 0.04 -0.03 -0.04 0.89 0.92 1jv3A1 ILE 470 H 0.03 0.31 -0.60 -0.55 8.25 7.44 1jv3A1 ILE 470 HA 0.02 0.14 0.66 -0.75 4.18 4.25 1jv3A1 ILE 470 HB -0.05 0.09 0.03 -0.04 1.89 1.92 1jv3A1 ILE 470 HG12 -0.02 -0.22 -0.24 -0.04 1.49 0.96 1jv3A1 ILE 470 HG13 -0.15 0.01 -0.40 -0.04 1.21 0.63 1jv3A1 ILE 470 HG23 -0.19 -0.01 -0.21 -0.04 0.93 0.49 1jv3A1 ILE 470 HD13 0.01 0.05 -0.29 -0.04 0.88 0.61 1jv3A1 SER 471 H 0.03 0.49 -0.01 -0.55 8.46 8.43 1jv3A1 SER 471 HA -0.06 0.13 0.67 -0.75 4.49 4.48 1jv3A1 SER 471 HB2 -0.11 0.14 -0.31 -0.04 3.95 3.63 1jv3A1 SER 471 HB3 -0.05 -0.02 -0.09 -0.04 3.93 3.73 1jv3A1 TYR 472 H 0.03 0.10 0.07 -0.55 8.29 7.94 1jv3A1 TYR 472 HA 0.04 0.17 0.63 -0.75 4.56 4.65 1jv3A1 TYR 472 HB2 -0.02 0.09 0.05 -0.04 3.06 3.14 1jv3A1 TYR 472 HB3 -0.06 -0.13 0.11 -0.04 2.98 2.87 1jv3A1 TYR 472 HD2 0.01 -0.02 -0.03 -0.04 7.15 7.07 1jv3A1 TYR 472 HE2 0.02 -0.05 -0.04 -0.04 6.85 6.74 1jv3A1 ALA 473 H -0.20 -0.05 0.02 -0.55 8.40 7.61 1jv3A1 ALA 473 HA -0.18 0.32 0.80 -0.75 4.34 4.53 1jv3A1 ALA 473 HB3 0.02 0.01 0.02 -0.04 1.41 1.42 1jv3A1 GLY 474 H -1.72 0.18 -0.17 -0.55 8.43 6.17 1jv3A1 GLY 474 HA2 -1.92 0.05 0.24 -0.51 4.01 1.87 1jv3A1 GLY 474 HA3 -1.34 0.21 0.68 -0.51 4.01 3.05 1jv3A1 GLU 475 H -0.40 -0.12 -0.23 -0.55 8.60 7.31 1jv3A1 GLU 475 HA -0.16 0.15 0.62 -0.75 4.29 4.15 1jv3A1 GLU 475 HB2 -0.06 0.01 0.10 -0.04 2.09 2.11 1jv3A1 GLU 475 HB3 -0.11 0.01 0.01 -0.04 1.99 1.86 1jv3A1 GLU 475 HG2 -0.05 0.13 -0.30 -0.04 2.34 2.08 1jv3A1 GLU 475 HG3 -0.01 0.06 -0.04 -0.04 2.34 2.31 1jv3A1 GLY 476 H -0.04 0.11 0.17 -0.55 8.43 8.12 1jv3A1 GLY 476 HA2 0.01 -0.01 0.35 -0.51 4.01 3.84 1jv3A1 GLY 476 HA3 0.01 0.20 0.40 -0.51 4.01 4.10 1jv3A1 LEU 477 H -0.01 0.08 -0.10 -0.55 8.37 7.79 1jv3A1 LEU 477 HA 0.24 0.29 0.97 -0.75 4.35 5.11 1jv3A1 LEU 477 HB2 0.01 0.09 -0.07 -0.04 1.64 1.62 1jv3A1 LEU 477 HB3 0.05 -0.03 -0.05 -0.04 1.64 1.56 1jv3A1 LEU 477 HG -0.07 0.12 -0.51 -0.04 1.64 1.14 1jv3A1 LEU 477 HD13 0.03 0.03 -0.22 -0.04 0.93 0.72 1jv3A1 LEU 477 HD23 -0.05 0.01 -0.19 -0.04 0.89 0.62 1jv3A1 GLU 478 H 0.02 0.03 0.09 -0.55 8.60 8.19 1jv3A1 GLU 478 HA 0.03 0.24 0.41 -0.75 4.29 4.22 1jv3A1 GLU 478 HB2 -0.00 -0.08 0.11 -0.04 2.09 2.08 1jv3A1 GLU 478 HB3 0.00 0.06 0.04 -0.04 1.99 2.06 1jv3A1 GLU 478 HG2 -0.00 0.02 0.08 -0.04 2.34 2.40 1jv3A1 GLU 478 HG3 0.00 0.25 0.19 -0.04 2.34 2.74 1jv3A1 SER 479 H -0.01 0.06 -0.35 -0.55 8.46 7.60 1jv3A1 SER 479 HA -0.04 0.11 0.40 -0.75 4.49 4.21 1jv3A1 SER 479 HB2 -0.13 0.02 0.05 -0.04 3.95 3.85 1jv3A1 SER 479 HB3 -0.10 -0.06 0.02 -0.04 3.93 3.75 1jv3A1 TYR 480 H 0.13 0.33 -0.30 -0.55 8.29 7.89 1jv3A1 TYR 480 HA 0.03 0.14 0.73 -0.75 4.56 4.71 1jv3A1 TYR 480 HB2 -0.03 0.08 0.10 -0.04 3.06 3.17 1jv3A1 TYR 480 HB3 -0.04 -0.05 -0.04 -0.04 2.98 2.81 1jv3A1 TYR 480 HD2 -0.02 0.01 0.05 -0.04 7.15 7.15 1jv3A1 TYR 480 HE2 -0.02 0.04 -0.01 -0.04 6.85 6.82 1jv3A1 VAL 481 H 0.14 0.30 -0.04 -0.55 8.24 8.09 1jv3A1 VAL 481 HA 0.42 0.27 1.00 -0.75 4.13 5.06 1jv3A1 VAL 481 HB 0.19 -0.06 -0.03 -0.04 2.12 2.19 1jv3A1 VAL 481 HG13 -0.16 -0.01 -0.27 -0.04 0.97 0.49 1jv3A1 VAL 481 HG23 0.05 0.04 -0.28 -0.04 0.95 0.73 1jv3A1 ALA 482 H 0.07 0.46 0.09 -0.55 8.40 8.48 1jv3A1 ALA 482 HA 0.04 -0.01 0.22 -0.75 4.34 3.84 1jv3A1 ALA 482 HB3 0.03 -0.01 0.17 -0.04 1.41 1.55 1jv3A1 ASP 483 H 0.07 0.49 0.22 -0.55 8.40 8.63 1jv3A1 ASP 483 HA 0.12 0.01 0.38 -0.75 4.63 4.40 1jv3A1 ASP 483 HB2 0.02 0.23 -0.00 -0.04 2.71 2.92 1jv3A1 ASP 483 HB3 0.02 -0.08 0.17 -0.04 2.70 2.76 1jv3A1 LYS 484 H 0.06 0.51 -0.48 -0.55 8.42 7.95 1jv3A1 LYS 484 HA -0.13 0.10 0.85 -0.75 4.32 4.38 1jv3A1 LYS 484 HB2 0.02 0.08 -0.09 -0.04 1.87 1.83 1jv3A1 LYS 484 HB3 -0.52 -0.02 -0.00 -0.04 1.79 1.20 1jv3A1 LYS 484 HG2 -0.08 -0.08 -0.07 -0.04 1.46 1.19 1jv3A1 LYS 484 HG3 -0.01 0.15 -0.31 -0.04 1.46 1.26 1jv3A1 LYS 484 HD2 0.08 0.07 -0.19 -0.04 1.69 1.60 1jv3A1 LYS 484 HD3 0.11 0.04 -0.03 -0.04 1.68 1.76 1jv3A1 LYS 484 HE2 -0.03 -0.06 -0.02 -0.04 2.99 2.84 1jv3A1 LYS 484 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.88 1jv3A1 GLU 485 H -0.42 0.18 0.16 -0.55 8.60 7.97 1jv3A1 GLU 485 HA -0.22 0.26 0.86 -0.75 4.29 4.44 1jv3A1 GLU 485 HB2 -0.24 -0.03 -0.06 -0.04 2.09 1.72 1jv3A1 GLU 485 HB3 -0.17 -0.03 -0.22 -0.04 1.99 1.52 1jv3A1 GLU 485 HG2 -0.05 0.02 -0.27 -0.04 2.34 2.00 1jv3A1 GLU 485 HG3 -0.12 -0.01 -0.34 -0.04 2.34 1.83 1jv3A1 PHE 486 H -0.21 0.44 0.29 -0.55 8.34 8.31 1jv3A1 PHE 486 HA -0.12 0.16 0.91 -0.75 4.62 4.82 1jv3A1 PHE 486 HB2 -0.47 -0.03 -0.07 -0.04 3.15 2.54 1jv3A1 PHE 486 HB3 -0.06 0.03 -0.06 -0.04 3.06 2.93 1jv3A1 PHE 486 HD2 -0.24 0.07 -0.08 -0.04 7.28 6.99 1jv3A1 PHE 486 HE2 -0.06 0.03 -0.09 -0.04 7.38 7.22 1jv3A1 PHE 486 HZ -0.01 0.25 0.01 -0.04 7.32 7.53 1jv3A1 HIS 487 H 0.23 0.18 0.13 -0.55 8.41 8.41 1jv3A1 HIS 487 HA 0.16 0.22 0.81 -0.75 4.63 5.07 1jv3A1 HIS 487 HB2 0.10 -0.03 0.10 -0.04 3.26 3.40 1jv3A1 HIS 487 HB3 0.09 0.11 -0.00 -0.04 3.20 3.35 1jv3A1 HIS 487 HD2 0.04 -0.02 0.00 -0.04 6.97 6.95 1jv3A1 HIS 487 HE1 0.02 -0.04 -0.04 -0.04 7.75 7.64 1jv3A1 ALA 488 H 0.29 0.12 0.18 -0.55 8.40 8.44 1jv3A1 ALA 488 HA 0.25 0.03 0.35 -0.75 4.34 4.21 1jv3A1 ALA 488 HB3 0.10 -0.00 0.15 -0.04 1.41 1.62 1jv3A1 PRO 489 HA 0.06 0.25 0.58 -0.51 4.44 4.82 1jv3A1 PRO 489 HB2 0.05 -0.06 0.03 -0.04 2.28 2.25 1jv3A1 PRO 489 HB3 0.02 -0.02 0.04 -0.04 2.02 2.02 1jv3A1 PRO 489 HG2 0.02 0.01 0.05 -0.04 2.03 2.06 1jv3A1 PRO 489 HG3 0.01 -0.00 0.06 -0.04 2.03 2.06 1jv3A1 PRO 489 HD2 0.06 0.18 0.24 -0.04 3.68 4.12 1jv3A1 PRO 489 HD3 0.05 0.16 0.30 -0.04 3.65 4.11 1jv3A1 LEU 490 H 0.12 0.55 0.39 -0.55 8.37 8.89 1jv3A1 LEU 490 HA 0.11 0.33 1.12 -0.75 4.35 5.15 1jv3A1 LEU 490 HB2 0.24 0.05 -0.09 -0.04 1.64 1.79 1jv3A1 LEU 490 HB3 0.26 -0.07 0.13 -0.04 1.64 1.92 1jv3A1 LEU 490 HG -0.09 -0.05 -0.42 -0.04 1.64 1.04 1jv3A1 LEU 490 HD13 -0.12 0.04 -0.12 -0.04 0.93 0.69 1jv3A1 LEU 490 HD23 -0.46 -0.01 -0.17 -0.04 0.89 0.21 1jv3A1 ILE 491 H 0.05 0.80 0.39 -0.55 8.25 8.94 1jv3A1 ILE 491 HA 0.03 0.30 1.02 -0.75 4.18 4.78 1jv3A1 ILE 491 HB 0.15 0.02 0.06 -0.04 1.89 2.08 1jv3A1 ILE 491 HG12 0.05 0.02 -0.13 -0.04 1.49 1.39 1jv3A1 ILE 491 HG13 0.06 0.00 -0.44 -0.04 1.21 0.80 1jv3A1 ILE 491 HG23 0.09 -0.01 -0.16 -0.04 0.93 0.81 1jv3A1 ILE 491 HD13 0.05 -0.03 -0.22 -0.04 0.88 0.64 1jv3A1 ILE 492 H -0.04 0.50 0.30 -0.55 8.25 8.46 1jv3A1 ILE 492 HA -0.24 0.35 1.08 -0.75 4.18 4.61 1jv3A1 ILE 492 HB -0.21 -0.08 0.16 -0.04 1.89 1.72 1jv3A1 ILE 492 HG12 -0.27 0.06 -0.15 -0.04 1.49 1.09 1jv3A1 ILE 492 HG13 -0.18 -0.08 -0.38 -0.04 1.21 0.53 1jv3A1 ILE 492 HG23 -0.63 0.01 -0.12 -0.04 0.93 0.15 1jv3A1 ILE 492 HD13 -0.32 0.01 -0.14 -0.04 0.88 0.39 1jv3A1 ASP 493 H -0.11 0.61 0.19 -0.55 8.40 8.55 1jv3A1 ASP 493 HA -0.02 0.12 0.81 -0.75 4.63 4.79 1jv3A1 ASP 493 HB2 0.07 -0.13 0.20 -0.04 2.71 2.80 1jv3A1 ASP 493 HB3 0.06 0.04 -0.04 -0.04 2.70 2.71 1jv3A1 GLU 494 H 0.05 0.14 0.12 -0.55 8.60 8.37 1jv3A1 GLU 494 HA 0.05 0.16 0.37 -0.75 4.29 4.12 1jv3A1 GLU 494 HB2 0.06 0.07 0.09 -0.04 2.09 2.27 1jv3A1 GLU 494 HB3 0.05 0.01 0.09 -0.04 1.99 2.10 1jv3A1 GLU 494 HG2 0.07 -0.05 -0.04 -0.04 2.34 2.28 1jv3A1 GLU 494 HG3 0.06 0.06 -0.04 -0.04 2.34 2.38 1jv3A1 ASN 495 H 0.13 -0.04 -0.46 -0.55 8.53 7.61 1jv3A1 ASN 495 HA 0.11 0.22 0.78 -0.75 4.76 5.11 1jv3A1 ASN 495 HB2 0.26 -0.01 -0.08 -0.04 2.88 3.01 1jv3A1 ASN 495 HB3 0.15 0.03 0.09 -0.04 2.79 3.02 1jv3A1 ASN 495 HD21 0.04 0.02 -0.05 -0.04 7.03 6.99 1jv3A1 ASN 495 HD22 0.05 0.00 -0.06 -0.04 7.74 7.69 1jv3A1 GLY 496 H 0.02 0.49 -0.23 -0.55 8.43 8.16 1jv3A1 GLY 496 HA2 0.02 0.05 0.25 -0.51 4.01 3.82 1jv3A1 GLY 496 HA3 -0.02 0.22 0.89 -0.51 4.01 4.59 1jv3A1 VAL 497 H -0.12 0.18 0.18 -0.55 8.24 7.93 1jv3A1 VAL 497 HA -0.32 0.17 0.92 -0.75 4.13 4.14 1jv3A1 VAL 497 HB 0.03 -0.01 0.17 -0.04 2.12 2.27 1jv3A1 VAL 497 HG13 0.03 0.00 -0.15 -0.04 0.97 0.81 1jv3A1 VAL 497 HG23 0.04 0.01 -0.00 -0.04 0.95 0.96 1jv3A1 HIS 498 H -0.17 0.84 0.39 -0.55 8.41 8.92 1jv3A1 HIS 498 HA 0.06 0.18 1.03 -0.75 4.63 5.15 1jv3A1 HIS 498 HB2 0.03 -0.09 0.02 -0.04 3.26 3.19 1jv3A1 HIS 498 HB3 0.04 0.02 -0.07 -0.04 3.20 3.14 1jv3A1 HIS 498 HD2 0.01 -0.09 -0.21 -0.04 6.97 6.64 1jv3A1 HIS 498 HE1 0.03 0.34 -0.38 -0.04 7.75 7.71 1jv3A1 GLU 499 H 0.15 0.18 0.13 -0.55 8.60 8.52 1jv3A1 GLU 499 HA 0.14 0.28 1.03 -0.75 4.29 4.99 1jv3A1 GLU 499 HB2 0.14 -0.09 0.17 -0.04 2.09 2.27 1jv3A1 GLU 499 HB3 0.18 0.20 0.07 -0.04 1.99 2.40 1jv3A1 GLU 499 HG2 0.26 0.10 0.04 -0.04 2.34 2.69 1jv3A1 GLU 499 HG3 0.22 -0.09 -0.09 -0.04 2.34 2.34 1jv3A1 LEU 500 H 0.10 0.83 0.27 -0.55 8.37 9.02 1jv3A1 LEU 500 HA 0.06 -0.02 0.54 -0.75 4.35 4.17 1jv3A1 LEU 500 HB2 0.05 0.06 0.11 -0.04 1.64 1.81 1jv3A1 LEU 500 HB3 0.03 -0.08 0.01 -0.04 1.64 1.56 1jv3A1 LEU 500 HG 0.07 0.08 -0.13 -0.04 1.64 1.62 1jv3A1 LEU 500 HD13 0.03 -0.02 -0.09 -0.04 0.93 0.81 1jv3A1 LEU 500 HD23 0.04 -0.01 -0.14 -0.04 0.89 0.74 1jv3A1 VAL 501 H 0.03 0.04 0.07 -0.55 8.24 7.83 1jv3A1 VAL 501 HA 0.02 0.28 0.64 -0.75 4.13 4.32 1jv3A1 VAL 501 HB 0.01 -0.02 0.07 -0.04 2.12 2.14 1jv3A1 VAL 501 HG13 0.00 0.02 -0.06 -0.04 0.97 0.89 1jv3A1 VAL 501 HG23 0.01 0.01 0.07 -0.04 0.95 1.00