============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. HIS 2 0.900 66.677 32.855 8.405 -99.200 -91.000 PHE 3 1.000 63.074 29.220 12.651 -99.200 -91.000 HIS 10 0.900 79.714 26.663 7.931 -99.200 -91.000 PHE 11 1.000 75.153 23.900 14.482 -99.200 -91.000 TYR 18 0.840 74.480 30.430 16.898 -99.200 -91.000 TRP 26 1.040 68.611 19.427 35.368 -99.200 -91.000 TRP6 26 1.020 66.457 19.272 36.302 -99.200 -91.000 TYR 27 0.840 68.999 24.515 36.728 -99.200 -91.000 TYR 30 0.840 60.718 20.896 36.184 -99.200 -91.000 PHE 81 1.000 51.655 6.781 28.531 -99.200 -91.000 TYR 84 0.840 51.075 16.311 27.606 -99.200 -91.000 TYR 94 0.840 59.717 34.511 32.956 -99.200 -91.000 TYR 109 0.840 67.519 17.207 27.520 -99.200 -91.000 PHE 110 1.000 60.392 17.732 22.159 -99.200 -91.000 PHE 113 1.000 68.842 4.050 27.348 -99.200 -91.000 TRP 114 1.040 71.019 8.008 31.027 -99.200 -91.000 TRP6 114 1.020 71.731 5.771 31.176 -99.200 -91.000 TRP 116 1.040 68.601 12.653 34.503 -99.200 -91.000 TRP6 116 1.020 67.968 14.745 33.608 -99.200 -91.000 TYR 123 0.840 57.146 8.011 27.114 -99.200 -91.000 TRP 126 1.040 52.951 6.295 33.980 -99.200 -91.000 TRP6 126 1.020 53.516 8.346 32.925 -99.200 -91.000 TRP 141 1.040 73.536 1.193 37.184 -99.200 -91.000 TRP6 141 1.020 72.388 3.180 36.647 -99.200 -91.000 PHE 144 1.000 67.041 2.756 33.976 -99.200 -91.000 PHE 151 1.000 60.368 5.601 24.051 -99.200 -91.000 TYR 152 0.840 64.951 3.209 21.546 -99.200 -91.000 TYR 161 0.840 59.529 10.402 21.387 -99.200 -91.000 TYR 180 0.840 56.853 26.545 22.574 -99.200 -91.000 TRP 189 1.040 61.622 21.236 17.255 -99.200 -91.000 TRP6 189 1.020 60.662 22.311 19.124 -99.200 -91.000 TYR 210 0.840 69.936 4.069 18.927 -99.200 -91.000 TRP 213 1.040 62.626 5.936 18.602 -99.200 -91.000 TRP6 213 1.020 64.197 7.372 19.632 -99.200 -91.000 HIS 215 0.900 67.569 6.187 9.670 -99.200 -91.000 TYR 220 0.840 55.131 12.827 14.642 -99.200 -91.000 HIS 227 0.900 60.516 26.010 7.214 -99.200 -91.000 HIS 228 0.900 62.317 25.803 15.327 -99.200 -91.000 PHE 247 1.000 77.316 9.252 16.266 -99.200 -91.000 HIS 251 0.900 73.203 9.850 15.201 -99.200 -91.000 TYR 258 0.840 72.622 19.806 16.143 -99.200 -91.000 TYR 261 0.840 82.249 14.779 20.516 -99.200 -91.000 HIS 262 0.900 75.500 13.623 25.371 -99.200 -91.000 TRP 264 1.040 79.149 12.473 30.373 -99.200 -91.000 TRP6 264 1.020 79.452 14.169 31.977 -99.200 -91.000 TRP 268 1.040 81.742 6.939 29.284 -99.200 -91.000 TRP6 268 1.020 82.346 8.276 27.435 -99.200 -91.000 TRP 270 1.040 87.692 5.697 29.114 -99.200 -91.000 TRP6 270 1.020 87.233 7.174 27.337 -99.200 -91.000 PHE 271 1.000 89.926 12.081 36.670 -99.200 -91.000 TRP 280 1.040 95.406 14.685 33.115 -99.200 -91.000 TRP6 280 1.020 93.412 15.336 32.020 -99.200 -91.000 TRP 284 1.040 94.768 15.008 27.071 -99.200 -91.000 TRP6 284 1.020 92.801 16.226 26.605 -99.200 -91.000 TYR 290 0.840 83.617 9.208 22.760 -99.200 -91.000 HIS 294 0.900 82.465 10.115 18.802 -99.200 -91.000 PHE 310 1.000 83.369 19.926 27.744 -99.200 -91.000 TYR 319 0.840 79.627 14.215 45.707 -99.200 -91.000 TYR 327 0.840 93.858 16.200 38.838 -99.200 -91.000 TYR 331 0.840 87.761 16.577 30.405 -99.200 -91.000 PHE 332 1.000 85.107 21.948 32.207 -99.200 -91.000 PHE 336 1.000 86.142 25.010 26.720 -99.200 -91.000 TYR 352 0.840 82.407 25.303 24.091 -99.200 -91.000 TRP 355 1.040 75.870 17.379 33.239 -99.200 -91.000 TRP6 355 1.020 73.724 17.110 32.271 -99.200 -91.000 TRP 357 1.040 75.017 28.259 35.278 -99.200 -91.000 TRP6 357 1.020 77.199 29.122 35.412 -99.200 -91.000 TYR 360 0.840 73.765 34.059 40.599 -99.200 -91.000 TYR 368 0.840 77.661 17.601 49.687 -99.200 -91.000 TRP 369 1.040 69.485 11.920 46.544 -99.200 -91.000 TRP6 369 1.020 71.123 10.979 45.130 -99.200 -91.000 TRP 370 1.040 66.356 18.750 43.943 -99.200 -91.000 TRP6 370 1.020 64.225 17.814 43.522 -99.200 -91.000 PHE 376 1.000 63.890 22.518 40.051 -99.200 -91.000 TYR 388 0.840 80.281 14.663 36.519 -99.200 -91.000 PHE 391 1.000 78.157 24.719 43.369 -99.200 -91.000 PHE 404 1.000 90.128 28.058 25.610 -99.200 -91.000 PHE 408 1.000 85.934 26.823 20.832 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1uz4A1 GLU 22 HA 0.01 -0.05 0.16 -0.75 4.29 3.65 1uz4A1 HIS 23 H 0.12 0.09 0.08 -0.55 8.41 8.16 1uz4A1 HIS 23 HA 0.03 0.36 1.10 -0.75 4.63 5.37 1uz4A1 HIS 23 HB2 -0.02 -0.05 0.02 -0.04 3.26 3.17 1uz4A1 HIS 23 HB3 -0.01 -0.07 0.09 -0.04 3.20 3.17 1uz4A1 HIS 23 HD2 -0.03 -0.08 0.03 -0.04 6.97 6.85 1uz4A1 HIS 23 HE1 -0.15 0.03 0.04 -0.04 7.75 7.63 1uz4A1 PHE 24 H 0.50 0.14 0.08 -0.55 8.34 8.52 1uz4A1 PHE 24 HA -0.10 0.12 0.43 -0.75 4.62 4.31 1uz4A1 PHE 24 HB2 -0.06 -0.07 0.00 -0.04 3.15 2.98 1uz4A1 PHE 24 HB3 -0.10 0.22 -0.05 -0.04 3.06 3.09 1uz4A1 PHE 24 HD2 -0.12 -0.04 -0.39 -0.04 7.28 6.69 1uz4A1 PHE 24 HE2 -0.39 0.03 -0.24 -0.04 7.38 6.73 1uz4A1 PHE 24 HZ -0.18 0.10 -0.20 -0.04 7.32 7.00 1uz4A1 VAL 25 H -0.16 0.19 0.21 -0.55 8.24 7.93 1uz4A1 VAL 25 HA -0.24 0.13 0.70 -0.75 4.13 3.96 1uz4A1 VAL 25 HB -0.21 0.03 0.21 -0.04 2.12 2.10 1uz4A1 VAL 25 HG13 -0.26 -0.01 -0.11 -0.04 0.97 0.55 1uz4A1 VAL 25 HG23 -0.54 -0.00 0.02 -0.04 0.95 0.39 1uz4A1 ARG 26 H -0.04 0.62 0.44 -0.55 8.46 8.93 1uz4A1 ARG 26 HA 0.07 0.20 0.85 -0.75 4.34 4.71 1uz4A1 ARG 26 HB2 -0.05 -0.07 0.02 -0.04 1.90 1.77 1uz4A1 ARG 26 HB3 0.01 0.03 0.09 -0.04 1.80 1.88 1uz4A1 ARG 26 HG2 0.01 0.06 -0.05 -0.04 1.67 1.65 1uz4A1 ARG 26 HG3 -0.11 0.14 -0.43 -0.04 1.67 1.23 1uz4A1 ARG 26 HD2 -0.40 -0.04 -0.01 -0.04 3.22 2.73 1uz4A1 ARG 26 HD3 -0.19 -0.10 -0.04 -0.04 3.22 2.85 1uz4A1 VAL 27 H 0.07 0.23 0.21 -0.55 8.24 8.20 1uz4A1 VAL 27 HA 0.01 0.20 1.06 -0.75 4.13 4.64 1uz4A1 VAL 27 HB 0.07 -0.03 0.15 -0.04 2.12 2.27 1uz4A1 VAL 27 HG13 -0.07 0.02 -0.06 -0.04 0.97 0.82 1uz4A1 VAL 27 HG23 0.20 0.01 -0.18 -0.04 0.95 0.94 1uz4A1 ASN 28 H -0.30 0.73 0.11 -0.55 8.53 8.52 1uz4A1 ASN 28 HA -0.11 0.09 0.68 -0.75 4.76 4.67 1uz4A1 ASN 28 HB2 -0.14 -0.03 -0.15 -0.04 2.88 2.52 1uz4A1 ASN 28 HB3 -0.58 -0.01 0.08 -0.04 2.79 2.24 1uz4A1 ASN 28 HD21 0.04 -0.03 -0.05 -0.04 7.03 6.95 1uz4A1 ASN 28 HD22 0.08 -0.00 -0.08 -0.04 7.74 7.70 1uz4A1 GLY 29 H -0.08 0.16 0.06 -0.55 8.43 8.03 1uz4A1 GLY 29 HA2 -0.04 0.14 0.36 -0.51 4.01 3.96 1uz4A1 GLY 29 HA3 -0.04 -0.04 0.49 -0.51 4.01 3.92 1uz4A1 GLY 30 H 0.03 0.12 0.12 -0.55 8.43 8.16 1uz4A1 GLY 30 HA2 -0.05 0.08 -0.05 -0.51 4.01 3.48 1uz4A1 GLY 30 HA3 0.02 -0.01 0.15 -0.51 4.01 3.65 1uz4A1 HIS 31 H -0.26 0.39 -0.35 -0.55 8.41 7.64 1uz4A1 HIS 31 HA -0.22 0.13 0.75 -0.75 4.63 4.54 1uz4A1 HIS 31 HB2 -0.00 0.03 0.16 -0.04 3.26 3.41 1uz4A1 HIS 31 HB3 -0.03 0.04 -0.08 -0.04 3.20 3.08 1uz4A1 HIS 31 HD2 0.04 0.22 -0.23 -0.04 6.97 6.96 1uz4A1 HIS 31 HE1 0.00 -0.08 -0.04 -0.04 7.75 7.59 1uz4A1 PHE 32 H 0.03 0.20 0.23 -0.55 8.34 8.25 1uz4A1 PHE 32 HA -0.02 0.26 0.97 -0.75 4.62 5.08 1uz4A1 PHE 32 HB2 0.17 0.23 0.14 -0.04 3.15 3.65 1uz4A1 PHE 32 HB3 0.09 0.02 0.08 -0.04 3.06 3.20 1uz4A1 PHE 32 HD2 -0.03 0.16 -0.04 -0.04 7.28 7.34 1uz4A1 PHE 32 HE2 -0.23 -0.03 -0.20 -0.04 7.38 6.87 1uz4A1 PHE 32 HZ -0.97 -0.08 -0.23 -0.04 7.32 5.99 1uz4A1 GLU 33 H 0.15 0.64 0.28 -0.55 8.60 9.12 1uz4A1 GLU 33 HA 0.17 0.29 0.73 -0.75 4.29 4.73 1uz4A1 GLU 33 HB2 0.02 -0.03 -0.17 -0.04 2.09 1.87 1uz4A1 GLU 33 HB3 0.04 -0.14 -0.21 -0.04 1.99 1.64 1uz4A1 GLU 33 HG2 0.24 0.05 -0.38 -0.04 2.34 2.20 1uz4A1 GLU 33 HG3 0.07 0.01 -0.60 -0.04 2.34 1.78 1uz4A1 LEU 34 H 0.04 0.83 0.09 -0.55 8.37 8.79 1uz4A1 LEU 34 HA -0.18 0.21 0.72 -0.75 4.35 4.34 1uz4A1 LEU 34 HB2 -0.47 -0.01 -0.14 -0.04 1.64 0.98 1uz4A1 LEU 34 HB3 -0.08 0.04 0.03 -0.04 1.64 1.59 1uz4A1 LEU 34 HG -0.10 -0.04 -0.23 -0.04 1.64 1.23 1uz4A1 LEU 34 HD13 -0.22 -0.01 -0.17 -0.04 0.93 0.49 1uz4A1 LEU 34 HD23 -0.34 -0.00 -0.07 -0.04 0.89 0.43 1uz4A1 GLN 35 H -0.15 0.24 0.03 -0.55 8.47 8.04 1uz4A1 GLN 35 HA 0.05 0.03 0.31 -0.75 4.36 4.00 1uz4A1 GLN 35 HB2 0.01 0.20 0.01 -0.04 2.15 2.33 1uz4A1 GLN 35 HB3 0.03 -0.02 0.22 -0.04 2.02 2.21 1uz4A1 GLN 35 HG2 0.08 -0.01 0.03 -0.04 2.40 2.46 1uz4A1 GLN 35 HG3 0.00 0.04 -0.17 -0.04 2.39 2.22 1uz4A1 GLN 35 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.91 1uz4A1 GLN 35 HE22 0.00 0.05 -0.05 -0.04 7.69 7.65 1uz4A1 GLY 36 H -0.01 0.08 -0.29 -0.55 8.43 7.65 1uz4A1 GLY 36 HA2 0.03 -0.00 0.19 -0.51 4.01 3.72 1uz4A1 GLY 36 HA3 0.03 0.05 0.19 -0.51 4.01 3.77 1uz4A1 LYS 37 H 0.03 0.33 -0.64 -0.55 8.42 7.59 1uz4A1 LYS 37 HA 0.05 0.15 0.87 -0.75 4.32 4.63 1uz4A1 LYS 37 HB2 0.05 0.11 0.03 -0.04 1.87 2.01 1uz4A1 LYS 37 HB3 0.05 0.01 0.07 -0.04 1.79 1.87 1uz4A1 PRO 38 HA 0.22 0.29 0.57 -0.51 4.44 5.00 1uz4A1 PRO 38 HB2 0.03 -0.03 -0.02 -0.04 2.28 2.22 1uz4A1 PRO 38 HB3 -0.03 0.08 0.10 -0.04 2.02 2.14 1uz4A1 PRO 38 HG2 -0.03 -0.03 0.08 -0.04 2.03 2.01 1uz4A1 PRO 38 HG3 -0.07 0.06 0.07 -0.04 2.03 2.05 1uz4A1 PRO 38 HD2 0.03 0.06 0.20 -0.04 3.68 3.92 1uz4A1 PRO 38 HD3 0.03 0.15 0.23 -0.04 3.65 4.02 1uz4A1 TYR 39 H 0.29 0.60 0.15 -0.55 8.29 8.78 1uz4A1 TYR 39 HA 0.03 0.11 0.74 -0.75 4.56 4.69 1uz4A1 TYR 39 HB2 0.03 0.01 -0.30 -0.04 3.06 2.77 1uz4A1 TYR 39 HB3 0.11 -0.08 -0.20 -0.04 2.98 2.77 1uz4A1 TYR 39 HD2 -0.11 -0.00 -0.13 -0.04 7.15 6.87 1uz4A1 TYR 39 HE2 -0.18 -0.01 -0.09 -0.04 6.85 6.52 1uz4A1 VAL 40 H -0.28 0.22 0.10 -0.55 8.24 7.73 1uz4A1 VAL 40 HA 0.04 0.25 0.89 -0.75 4.13 4.56 1uz4A1 VAL 40 HB -0.03 -0.01 -0.05 -0.04 2.12 1.98 1uz4A1 VAL 40 HG13 0.11 0.00 -0.26 -0.04 0.97 0.77 1uz4A1 VAL 40 HG23 0.08 0.01 -0.14 -0.04 0.95 0.86 1uz4A1 ILE 41 H -0.10 0.65 0.31 -0.55 8.25 8.56 1uz4A1 ILE 41 HA -0.41 0.08 0.46 -0.75 4.18 3.55 1uz4A1 ILE 41 HB -0.16 -0.17 0.10 -0.04 1.89 1.63 1uz4A1 ILE 41 HG12 0.01 0.23 -0.01 -0.04 1.49 1.68 1uz4A1 ILE 41 HG13 -0.19 -0.07 -0.18 -0.04 1.21 0.73 1uz4A1 ILE 41 HG23 -0.19 0.02 -0.24 -0.04 0.93 0.48 1uz4A1 ILE 41 HD13 -0.40 0.00 -0.26 -0.04 0.88 0.18 1uz4A1 THR 42 H -0.37 0.22 0.13 -0.55 8.28 7.70 1uz4A1 THR 42 HA -1.20 0.07 0.88 -0.75 4.39 3.38 1uz4A1 THR 42 HB -0.24 -0.04 0.14 -0.04 4.32 4.14 1uz4A1 THR 42 HG23 -0.31 0.05 -0.22 -0.04 1.22 0.69 1uz4A1 GLY 43 H -0.41 0.49 0.14 -0.55 8.43 8.11 1uz4A1 GLY 43 HA2 -0.17 0.12 0.91 -0.51 4.01 4.36 1uz4A1 GLY 43 HA3 -0.14 0.04 0.30 -0.51 4.01 3.69 1uz4A1 VAL 44 H -0.12 0.57 0.40 -0.55 8.24 8.55 1uz4A1 VAL 44 HA -0.02 0.10 0.76 -0.75 4.13 4.22 1uz4A1 VAL 44 HB -0.02 -0.03 0.12 -0.04 2.12 2.15 1uz4A1 VAL 44 HG13 -0.20 0.00 -0.13 -0.04 0.97 0.60 1uz4A1 VAL 44 HG23 -0.27 -0.02 -0.18 -0.04 0.95 0.45 1uz4A1 ASN 45 H -0.04 0.63 0.31 -0.55 8.53 8.88 1uz4A1 ASN 45 HA 0.02 0.15 0.98 -0.75 4.76 5.16 1uz4A1 ASN 45 HB2 -0.27 -0.05 0.33 -0.04 2.88 2.85 1uz4A1 ASN 45 HB3 -0.42 -0.09 0.08 -0.04 2.79 2.32 1uz4A1 ASN 45 HD21 0.29 0.62 0.06 -0.04 7.03 7.95 1uz4A1 ASN 45 HD22 0.22 0.12 -0.53 -0.04 7.74 7.51 1uz4A1 MET 46 H -0.08 0.67 0.04 -0.55 8.47 8.56 1uz4A1 MET 46 HA -0.37 0.07 0.63 -0.75 4.52 4.11 1uz4A1 MET 46 HB2 -0.19 0.06 -0.25 -0.04 2.15 1.73 1uz4A1 MET 46 HB3 -0.31 0.04 0.07 -0.04 2.03 1.79 1uz4A1 MET 46 HG2 -1.22 -0.15 -0.08 -0.04 2.63 1.14 1uz4A1 MET 46 HG3 -0.53 0.10 0.00 -0.04 2.56 2.09 1uz4A1 MET 46 HE3 0.01 0.00 -0.11 -0.04 2.10 1.96 1uz4A1 TRP 47 H -0.05 0.23 0.06 -0.55 7.97 7.67 1uz4A1 TRP 47 HA 0.09 0.05 0.43 -0.75 4.62 4.43 1uz4A1 TRP 47 HB2 0.51 -0.03 0.12 -0.04 3.23 3.79 1uz4A1 TRP 47 HB3 0.19 0.05 0.13 -0.04 3.23 3.55 1uz4A1 TRP 47 HD1 -0.32 0.12 0.04 -0.04 7.22 7.02 1uz4A1 TRP 47 HE1 -0.24 0.38 -0.34 -0.04 10.20 9.95 1uz4A1 TRP 47 HE3 0.24 -0.04 -0.26 -0.04 7.59 7.49 1uz4A1 TRP 47 HZ2 -0.39 0.05 -0.01 -0.04 7.44 7.05 1uz4A1 TRP 47 HZ3 -0.44 0.01 -0.08 -0.04 7.13 6.58 1uz4A1 TRP 47 HH2 -0.70 0.05 -0.02 -0.04 7.19 6.47 1uz4A1 TYR 48 H -1.26 0.08 -0.54 -0.55 8.29 6.01 1uz4A1 TYR 48 HA -0.95 0.10 0.26 -0.75 4.56 3.21 1uz4A1 TYR 48 HB2 -1.32 0.02 0.04 -0.04 3.06 1.76 1uz4A1 TYR 48 HB3 -3.08 0.04 -0.05 -0.04 2.98 -0.15 1uz4A1 TYR 48 HD2 -0.82 -0.02 -0.27 -0.04 7.15 6.00 1uz4A1 TYR 48 HE2 -0.14 0.03 -0.23 -0.04 6.85 6.47 1uz4A1 ALA 49 H -0.50 0.51 -0.30 -0.55 8.40 7.57 1uz4A1 ALA 49 HA -0.26 0.03 0.19 -0.75 4.34 3.55 1uz4A1 ALA 49 HB3 -0.24 0.03 -0.01 -0.04 1.41 1.15 1uz4A1 ALA 50 H -0.08 0.17 -0.21 -0.55 8.40 7.74 1uz4A1 ALA 50 HA 0.01 0.21 0.53 -0.75 4.34 4.34 1uz4A1 ALA 50 HB3 -0.02 0.03 -0.08 -0.04 1.41 1.31 1uz4A1 TYR 51 H 0.08 0.09 -0.19 -0.55 8.29 7.73 1uz4A1 TYR 51 HA 0.03 0.02 0.44 -0.75 4.56 4.30 1uz4A1 TYR 51 HB2 -0.51 0.05 0.11 -0.04 3.06 2.67 1uz4A1 TYR 51 HB3 -0.28 0.08 -0.11 -0.04 2.98 2.64 1uz4A1 TYR 51 HD2 0.08 0.01 -0.05 -0.04 7.15 7.15 1uz4A1 TYR 51 HE2 0.24 0.04 -0.15 -0.04 6.85 6.94 1uz4A1 LEU 52 H 0.10 0.45 -0.32 -0.55 8.37 8.06 1uz4A1 LEU 52 HA 0.27 0.02 0.34 -0.75 4.35 4.23 1uz4A1 LEU 52 HB2 0.21 0.08 0.03 -0.04 1.64 1.92 1uz4A1 LEU 52 HB3 0.14 0.10 -0.04 -0.04 1.64 1.80 1uz4A1 LEU 52 HG 0.19 0.05 0.07 -0.04 1.64 1.91 1uz4A1 LEU 52 HD13 0.32 0.00 -0.00 -0.04 0.93 1.20 1uz4A1 LEU 52 HD23 0.28 -0.02 -0.11 -0.04 0.89 1.00 1uz4A1 GLY 53 H 0.10 0.29 -0.53 -0.55 8.43 7.74 1uz4A1 GLY 53 HA2 0.11 0.01 0.52 -0.51 4.01 4.15 1uz4A1 GLY 53 HA3 0.20 0.08 0.34 -0.51 4.01 4.12 1uz4A1 ALA 54 H 0.08 0.42 -0.38 -0.55 8.40 7.99 1uz4A1 ALA 54 HA 0.02 0.06 0.36 -0.75 4.34 4.02 1uz4A1 ALA 54 HB3 0.07 -0.03 0.05 -0.04 1.41 1.46 1uz4A1 PRO 55 HA -0.08 0.16 0.55 -0.51 4.44 4.56 1uz4A1 PRO 55 HB2 -0.01 -0.00 0.07 -0.04 2.28 2.30 1uz4A1 PRO 55 HB3 -0.05 0.06 0.10 -0.04 2.02 2.10 1uz4A1 PRO 55 HG2 0.02 -0.06 0.01 -0.04 2.03 1.95 1uz4A1 PRO 55 HG3 0.01 0.04 0.08 -0.04 2.03 2.12 1uz4A1 PRO 55 HD2 0.02 0.07 0.17 -0.04 3.68 3.90 1uz4A1 PRO 55 HD3 0.01 0.16 0.09 -0.04 3.65 3.86 1uz4A1 ASN 56 H 0.03 -0.03 -0.34 -0.55 8.53 7.65 1uz4A1 ASN 56 HA 0.03 0.27 0.75 -0.75 4.76 5.05 1uz4A1 ASN 56 HB2 0.05 -0.03 0.17 -0.04 2.88 3.02 1uz4A1 ASN 56 HB3 0.04 0.06 -0.01 -0.04 2.79 2.83 1uz4A1 ASN 56 HD21 0.09 0.02 -0.04 -0.04 7.03 7.06 1uz4A1 ASN 56 HD22 0.06 0.06 0.00 -0.04 7.74 7.82 1uz4A1 GLU 57 H 0.05 0.13 0.12 -0.55 8.60 8.35 1uz4A1 GLU 57 HA 0.04 0.17 0.31 -0.75 4.29 4.05 1uz4A1 GLU 57 HB2 0.03 0.06 0.11 -0.04 2.09 2.25 1uz4A1 GLU 57 HB3 0.03 0.00 0.12 -0.04 1.99 2.10 1uz4A1 GLU 57 HG2 0.08 0.01 -0.14 -0.04 2.34 2.25 1uz4A1 GLU 57 HG3 0.05 0.04 -0.03 -0.04 2.34 2.35 1uz4A1 VAL 58 H 0.11 -0.11 -0.44 -0.55 8.24 7.25 1uz4A1 VAL 58 HA 0.18 0.12 0.56 -0.75 4.13 4.24 1uz4A1 VAL 58 HB 0.21 -0.07 -0.02 -0.04 2.12 2.20 1uz4A1 VAL 58 HG13 0.56 0.02 -0.05 -0.04 0.97 1.47 1uz4A1 VAL 58 HG23 0.20 -0.03 -0.00 -0.04 0.95 1.08 1uz4A1 GLY 59 H 0.11 0.16 -0.29 -0.55 8.43 7.86 1uz4A1 GLY 59 HA2 0.21 0.12 0.52 -0.51 4.01 4.35 1uz4A1 GLY 59 HA3 0.09 0.30 0.24 -0.51 4.01 4.14 1uz4A1 ASP 60 H 0.12 0.55 0.15 -0.55 8.40 8.67 1uz4A1 ASP 60 HA 0.05 0.09 0.52 -0.75 4.63 4.53 1uz4A1 ASP 60 HB2 0.08 0.20 -0.08 -0.04 2.71 2.87 1uz4A1 ASP 60 HB3 0.12 -0.06 0.20 -0.04 2.70 2.93 1uz4A1 ARG 61 H -0.00 0.26 0.04 -0.55 8.46 8.21 1uz4A1 ARG 61 HA 0.08 0.14 0.40 -0.75 4.34 4.20 1uz4A1 ARG 61 HB2 -0.09 -0.02 0.08 -0.04 1.90 1.83 1uz4A1 ARG 61 HB3 -0.09 0.00 0.02 -0.04 1.80 1.68 1uz4A1 ARG 61 HG2 -0.50 -0.00 0.04 -0.04 1.67 1.16 1uz4A1 ARG 61 HG3 -0.18 0.11 -0.04 -0.04 1.67 1.52 1uz4A1 ARG 61 HD2 -0.29 -0.01 -0.03 -0.04 3.22 2.85 1uz4A1 ARG 61 HD3 -0.78 -0.06 -0.02 -0.04 3.22 2.33 1uz4A1 ASP 62 H 0.04 0.11 -0.14 -0.55 8.40 7.85 1uz4A1 ASP 62 HA 0.06 0.12 0.44 -0.75 4.63 4.50 1uz4A1 ASP 62 HB2 0.03 -0.04 0.07 -0.04 2.71 2.73 1uz4A1 ASP 62 HB3 0.02 0.04 -0.01 -0.04 2.70 2.71 1uz4A1 ARG 63 H 0.07 0.11 -0.25 -0.55 8.46 7.84 1uz4A1 ARG 63 HA 0.10 0.05 0.41 -0.75 4.34 4.14 1uz4A1 ARG 63 HB2 0.09 -0.01 0.08 -0.04 1.90 2.03 1uz4A1 ARG 63 HB3 0.13 0.18 0.13 -0.04 1.80 2.20 1uz4A1 ARG 63 HG2 0.23 -0.00 -0.28 -0.04 1.67 1.58 1uz4A1 ARG 63 HG3 0.26 -0.06 0.02 -0.04 1.67 1.85 1uz4A1 ARG 63 HD2 0.13 0.02 -0.06 -0.04 3.22 3.28 1uz4A1 ARG 63 HD3 0.14 0.05 -0.01 -0.04 3.22 3.36 1uz4A1 LEU 64 H 0.14 0.52 -0.13 -0.55 8.37 8.35 1uz4A1 LEU 64 HA 0.15 -0.04 0.32 -0.75 4.35 4.03 1uz4A1 LEU 64 HB2 0.15 0.02 -0.06 -0.04 1.64 1.71 1uz4A1 LEU 64 HB3 0.20 0.12 0.08 -0.04 1.64 2.00 1uz4A1 LEU 64 HG 0.09 0.02 -0.27 -0.04 1.64 1.44 1uz4A1 LEU 64 HD13 0.03 -0.03 -0.01 -0.04 0.93 0.88 1uz4A1 LEU 64 HD23 0.21 -0.00 -0.15 -0.04 0.89 0.92 1uz4A1 ALA 65 H 0.13 0.51 -0.16 -0.55 8.40 8.34 1uz4A1 ALA 65 HA 0.06 0.06 0.39 -0.75 4.34 4.09 1uz4A1 ALA 65 HB3 0.08 0.03 0.09 -0.04 1.41 1.57 1uz4A1 LYS 66 H 0.11 0.43 -0.17 -0.55 8.42 8.23 1uz4A1 LYS 66 HA 0.12 0.04 0.43 -0.75 4.32 4.15 1uz4A1 LYS 66 HB2 0.12 0.08 0.19 -0.04 1.87 2.21 1uz4A1 LYS 66 HB3 0.09 -0.07 0.04 -0.04 1.79 1.81 1uz4A1 LYS 66 HG2 0.01 -0.02 0.03 -0.04 1.46 1.44 1uz4A1 LYS 66 HG3 0.04 0.14 0.08 -0.04 1.46 1.67 1uz4A1 LYS 66 HD2 -0.08 -0.04 -0.07 -0.04 1.69 1.46 1uz4A1 LYS 66 HD3 -0.19 -0.04 -0.01 -0.04 1.68 1.40 1uz4A1 LYS 66 HE2 -0.05 -0.00 -0.02 -0.04 2.99 2.87 1uz4A1 LYS 66 HE3 -0.01 0.03 -0.02 -0.04 2.99 2.95 1uz4A1 GLU 67 H 0.24 0.68 -0.09 -0.55 8.60 8.88 1uz4A1 GLU 67 HA 0.28 -0.06 0.41 -0.75 4.29 4.17 1uz4A1 GLU 67 HB2 0.16 0.16 0.11 -0.04 2.09 2.49 1uz4A1 GLU 67 HB3 0.24 -0.08 -0.04 -0.04 1.99 2.06 1uz4A1 GLU 67 HG2 0.36 0.22 0.06 -0.04 2.34 2.93 1uz4A1 GLU 67 HG3 0.29 -0.02 -0.08 -0.04 2.34 2.49 1uz4A1 LEU 68 H 0.07 0.63 -0.10 -0.55 8.37 8.41 1uz4A1 LEU 68 HA -0.09 -0.02 0.37 -0.75 4.35 3.86 1uz4A1 LEU 68 HB2 -0.01 0.11 0.07 -0.04 1.64 1.77 1uz4A1 LEU 68 HB3 -0.06 0.05 -0.03 -0.04 1.64 1.56 1uz4A1 LEU 68 HG -0.00 0.14 0.02 -0.04 1.64 1.76 1uz4A1 LEU 68 HD13 -0.05 -0.00 -0.19 -0.04 0.93 0.65 1uz4A1 LEU 68 HD23 -0.10 -0.03 -0.11 -0.04 0.89 0.61 1uz4A1 ASP 69 H 0.05 0.52 -0.19 -0.55 8.40 8.23 1uz4A1 ASP 69 HA 0.00 0.09 0.50 -0.75 4.63 4.47 1uz4A1 ASP 69 HB2 0.08 0.07 0.18 -0.04 2.71 3.00 1uz4A1 ASP 69 HB3 0.05 -0.05 0.00 -0.04 2.70 2.65 1uz4A1 ASN 70 H 0.11 0.53 -0.10 -0.55 8.53 8.52 1uz4A1 ASN 70 HA 0.06 0.04 0.46 -0.75 4.76 4.56 1uz4A1 ASN 70 HB2 0.23 0.08 0.14 -0.04 2.88 3.28 1uz4A1 ASN 70 HB3 0.11 0.01 0.11 -0.04 2.79 2.99 1uz4A1 ASN 70 HD21 0.19 0.00 -0.02 -0.04 7.03 7.17 1uz4A1 ASN 70 HD22 0.23 -0.09 -0.03 -0.04 7.74 7.82 1uz4A1 LEU 71 H -0.13 0.64 -0.06 -0.55 8.37 8.28 1uz4A1 LEU 71 HA -0.42 -0.04 0.37 -0.75 4.35 3.51 1uz4A1 LEU 71 HB2 -0.26 0.12 0.12 -0.04 1.64 1.57 1uz4A1 LEU 71 HB3 -0.38 -0.02 -0.03 -0.04 1.64 1.17 1uz4A1 LEU 71 HG -0.66 0.06 0.03 -0.04 1.64 1.03 1uz4A1 LEU 71 HD13 -0.48 -0.03 -0.16 -0.04 0.93 0.22 1uz4A1 LEU 71 HD23 -1.76 -0.03 -0.05 -0.04 0.89 -0.99 1uz4A1 LYS 72 H -0.10 0.57 -0.22 -0.55 8.42 8.11 1uz4A1 LYS 72 HA -0.10 0.20 0.40 -0.75 4.32 4.06 1uz4A1 LYS 72 HB2 -0.07 0.04 0.15 -0.04 1.87 1.95 1uz4A1 LYS 72 HB3 -0.04 0.03 0.19 -0.04 1.79 1.92 1uz4A1 LYS 72 HG2 -0.04 -0.05 0.03 -0.04 1.46 1.37 1uz4A1 LYS 72 HG3 -0.04 -0.07 -0.08 -0.04 1.46 1.23 1uz4A1 LYS 72 HD2 -0.06 -0.00 0.09 -0.04 1.69 1.67 1uz4A1 LYS 72 HD3 -0.06 0.07 0.06 -0.04 1.68 1.72 1uz4A1 LYS 72 HE2 -0.03 -0.12 0.02 -0.04 2.99 2.81 1uz4A1 LYS 72 HE3 -0.04 0.18 0.06 -0.04 2.99 3.15 1uz4A1 ALA 73 H -0.04 0.37 -0.31 -0.55 8.40 7.88 1uz4A1 ALA 73 HA -0.02 0.05 0.35 -0.75 4.34 3.97 1uz4A1 ALA 73 HB3 0.01 0.00 0.11 -0.04 1.41 1.49 1uz4A1 ILE 74 H -0.08 0.36 -0.32 -0.55 8.25 7.65 1uz4A1 ILE 74 HA -0.02 0.02 0.61 -0.75 4.18 4.04 1uz4A1 ILE 74 HB -0.17 0.09 0.11 -0.04 1.89 1.89 1uz4A1 ILE 74 HG12 0.04 -0.07 -0.01 -0.04 1.49 1.40 1uz4A1 ILE 74 HG13 -0.00 0.04 -0.09 -0.04 1.21 1.12 1uz4A1 ILE 74 HG23 -0.05 -0.03 -0.04 -0.04 0.93 0.76 1uz4A1 ILE 74 HD13 0.02 -0.04 -0.14 -0.04 0.88 0.69 1uz4A1 GLY 75 H -0.07 0.44 -0.38 -0.55 8.43 7.86 1uz4A1 GLY 75 HA2 -0.06 0.09 0.24 -0.51 4.01 3.77 1uz4A1 GLY 75 HA3 -0.05 0.02 0.43 -0.51 4.01 3.90 1uz4A1 VAL 76 H -0.14 0.37 -0.05 -0.55 8.24 7.87 1uz4A1 VAL 76 HA -0.16 0.33 0.68 -0.75 4.13 4.23 1uz4A1 VAL 76 HB -0.25 -0.01 -0.04 -0.04 2.12 1.77 1uz4A1 VAL 76 HG13 -0.23 -0.05 -0.07 -0.04 0.97 0.58 1uz4A1 VAL 76 HG23 -0.27 -0.02 -0.12 -0.04 0.95 0.50 1uz4A1 ASN 77 H -0.18 0.38 0.35 -0.55 8.53 8.54 1uz4A1 ASN 77 HA -0.10 0.28 0.97 -0.75 4.76 5.16 1uz4A1 ASN 77 HB2 -0.05 0.07 0.22 -0.04 2.88 3.07 1uz4A1 ASN 77 HB3 -0.12 0.10 0.02 -0.04 2.79 2.74 1uz4A1 ASN 77 HD21 -0.63 0.44 0.18 -0.04 7.03 6.98 1uz4A1 ASN 77 HD22 -0.35 0.01 0.07 -0.04 7.74 7.43 1uz4A1 ASN 78 H -0.16 0.17 0.08 -0.55 8.53 8.07 1uz4A1 ASN 78 HA -0.10 0.35 0.87 -0.75 4.76 5.14 1uz4A1 ASN 78 HB2 -0.12 0.11 -0.33 -0.04 2.88 2.49 1uz4A1 ASN 78 HB3 -0.16 -0.13 -0.12 -0.04 2.79 2.35 1uz4A1 ASN 78 HD21 -0.09 -0.08 -0.32 -0.04 7.03 6.50 1uz4A1 ASN 78 HD22 -0.08 0.06 -0.23 -0.04 7.74 7.46 1uz4A1 LEU 79 H -0.10 0.69 0.36 -0.55 8.37 8.78 1uz4A1 LEU 79 HA -0.10 0.27 1.05 -0.75 4.35 4.82 1uz4A1 LEU 79 HB2 -0.11 0.00 -0.01 -0.04 1.64 1.49 1uz4A1 LEU 79 HB3 -0.12 -0.07 -0.07 -0.04 1.64 1.34 1uz4A1 LEU 79 HG -0.14 0.11 -0.16 -0.04 1.64 1.40 1uz4A1 LEU 79 HD13 -0.16 -0.02 -0.12 -0.04 0.93 0.60 1uz4A1 LEU 79 HD23 -0.20 0.01 -0.18 -0.04 0.89 0.47 1uz4A1 ARG 80 H 0.01 0.44 0.35 -0.55 8.46 8.71 1uz4A1 ARG 80 HA 0.12 0.27 0.99 -0.75 4.34 4.97 1uz4A1 ARG 80 HB2 0.15 0.05 -0.05 -0.04 1.90 2.01 1uz4A1 ARG 80 HB3 0.20 -0.08 0.18 -0.04 1.80 2.06 1uz4A1 ARG 80 HG2 0.54 -0.12 -0.18 -0.04 1.67 1.87 1uz4A1 ARG 80 HG3 0.39 0.08 -0.05 -0.04 1.67 2.05 1uz4A1 ARG 80 HD2 0.24 0.02 -0.10 -0.04 3.22 3.34 1uz4A1 ARG 80 HD3 0.26 0.14 -0.05 -0.04 3.22 3.52 1uz4A1 VAL 81 H 0.11 0.80 0.34 -0.55 8.24 8.93 1uz4A1 VAL 81 HA 0.05 0.02 0.76 -0.75 4.13 4.21 1uz4A1 VAL 81 HB -0.08 0.07 -0.08 -0.04 2.12 1.99 1uz4A1 VAL 81 HG13 -0.08 0.04 -0.13 -0.04 0.97 0.76 1uz4A1 VAL 81 HG23 -0.10 0.04 -0.38 -0.04 0.95 0.47 1uz4A1 LEU 82 H 0.06 0.29 0.32 -0.55 8.37 8.51 1uz4A1 LEU 82 HA -1.01 0.07 0.75 -0.75 4.35 3.40 1uz4A1 LEU 82 HB2 0.31 -0.10 0.14 -0.04 1.64 1.96 1uz4A1 LEU 82 HB3 0.38 0.14 0.19 -0.04 1.64 2.31 1uz4A1 LEU 82 HG 0.14 -0.04 -0.36 -0.04 1.64 1.34 1uz4A1 LEU 82 HD13 0.05 0.05 0.02 -0.04 0.93 1.01 1uz4A1 LEU 82 HD23 0.44 -0.03 -0.12 -0.04 0.89 1.14 1uz4A1 ALA 83 H -0.23 0.65 0.35 -0.55 8.40 8.62 1uz4A1 ALA 83 HA -0.02 0.09 0.58 -0.75 4.34 4.23 1uz4A1 ALA 83 HB3 -0.17 0.01 -0.06 -0.04 1.41 1.16 1uz4A1 VAL 84 H 0.09 0.21 0.08 -0.55 8.24 8.07 1uz4A1 VAL 84 HA 0.16 0.09 0.76 -0.75 4.13 4.39 1uz4A1 VAL 84 HB 0.25 0.09 -0.29 -0.04 2.12 2.13 1uz4A1 VAL 84 HG13 0.34 -0.03 -0.11 -0.04 0.97 1.12 1uz4A1 VAL 84 HG23 0.27 0.00 -0.06 -0.04 0.95 1.12 1uz4A1 SER 85 H 0.21 0.12 0.21 -0.55 8.46 8.45 1uz4A1 SER 85 HA 0.14 0.24 0.88 -0.75 4.49 5.00 1uz4A1 SER 85 HB2 0.19 0.13 0.10 -0.04 3.95 4.33 1uz4A1 SER 85 HB3 0.29 0.03 -0.03 -0.04 3.93 4.18 1uz4A1 GLU 86 H 0.07 0.70 0.35 -0.55 8.60 9.17 1uz4A1 GLU 86 HA 0.24 0.18 0.95 -0.75 4.29 4.91 1uz4A1 GLU 86 HB2 -0.16 -0.16 0.23 -0.04 2.09 1.96 1uz4A1 GLU 86 HB3 -0.50 0.09 -0.01 -0.04 1.99 1.53 1uz4A1 GLU 86 HG2 -0.24 0.02 -0.06 -0.04 2.34 2.02 1uz4A1 GLU 86 HG3 0.14 0.07 -0.08 -0.04 2.34 2.43 1uz4A1 LYS 87 H 0.40 0.53 0.25 -0.55 8.42 9.06 1uz4A1 LYS 87 HA 0.18 0.01 0.25 -0.75 4.32 4.00 1uz4A1 LYS 87 HB2 0.22 0.01 0.07 -0.04 1.87 2.14 1uz4A1 LYS 87 HB3 0.42 -0.04 0.14 -0.04 1.79 2.27 1uz4A1 LYS 87 HG2 0.18 0.01 -0.30 -0.04 1.46 1.31 1uz4A1 LYS 87 HG3 0.16 -0.02 -0.01 -0.04 1.46 1.55 1uz4A1 LYS 87 HD2 0.11 -0.01 -0.02 -0.04 1.69 1.72 1uz4A1 LYS 87 HD3 0.13 0.01 -0.08 -0.04 1.68 1.69 1uz4A1 LYS 87 HE2 0.11 0.01 -0.09 -0.04 2.99 2.97 1uz4A1 LYS 87 HE3 0.10 -0.02 -0.03 -0.04 2.99 3.00 1uz4A1 SER 88 H 0.12 0.29 0.21 -0.55 8.46 8.54 1uz4A1 SER 88 HA 0.01 0.13 0.89 -0.75 4.49 4.76 1uz4A1 SER 88 HB2 -0.03 0.06 -0.11 -0.04 3.95 3.84 1uz4A1 SER 88 HB3 0.06 0.09 -0.01 -0.04 3.93 4.03 1uz4A1 GLU 89 H 0.05 0.10 0.15 -0.55 8.60 8.35 1uz4A1 GLU 89 HA 0.09 0.24 0.83 -0.75 4.29 4.70 1uz4A1 GLU 89 HB2 0.05 -0.02 0.03 -0.04 2.09 2.10 1uz4A1 GLU 89 HB3 0.06 0.04 0.11 -0.04 1.99 2.16 1uz4A1 GLU 89 HG2 0.08 -0.08 -0.09 -0.04 2.34 2.20 1uz4A1 GLU 89 HG3 0.06 0.04 -0.02 -0.04 2.34 2.38 1uz4A1 ILE 90 H 0.06 -0.05 -0.06 -0.55 8.25 7.65 1uz4A1 ILE 90 HA 0.06 0.16 0.51 -0.75 4.18 4.16 1uz4A1 ILE 90 HB 0.06 -0.08 0.08 -0.04 1.89 1.91 1uz4A1 ILE 90 HG12 0.06 0.01 -0.05 -0.04 1.49 1.47 1uz4A1 ILE 90 HG13 0.11 -0.14 -0.35 -0.04 1.21 0.79 1uz4A1 ILE 90 HG23 0.02 -0.00 -0.02 -0.04 0.93 0.88 1uz4A1 ILE 90 HD13 0.06 0.04 -0.14 -0.04 0.88 0.79 1uz4A1 ASN 91 H 0.11 0.11 0.09 -0.55 8.53 8.29 1uz4A1 ASN 91 HA 0.24 0.28 0.74 -0.75 4.76 5.26 1uz4A1 ASN 91 HB2 0.11 -0.05 0.11 -0.04 2.88 3.00 1uz4A1 ASN 91 HB3 0.24 0.07 0.19 -0.04 2.79 3.25 1uz4A1 ASN 91 HD21 0.05 0.04 0.00 -0.04 7.03 7.08 1uz4A1 ASN 91 HD22 0.03 -0.04 0.03 -0.04 7.74 7.72 1uz4A1 SER 92 H 0.19 -0.01 -0.54 -0.55 8.46 7.56 1uz4A1 SER 92 HA 0.36 0.51 0.56 -0.75 4.49 5.16 1uz4A1 SER 92 HB2 0.17 -0.12 -0.09 -0.04 3.95 3.87 1uz4A1 SER 92 HB3 0.24 -0.08 0.08 -0.04 3.93 4.13 1uz4A1 ALA 93 H 0.20 0.33 -0.22 -0.55 8.40 8.17 1uz4A1 ALA 93 HA 0.10 0.13 0.87 -0.75 4.34 4.68 1uz4A1 ALA 93 HB3 0.10 0.04 -0.14 -0.04 1.41 1.36 1uz4A1 VAL 94 H -0.01 0.54 0.24 -0.55 8.24 8.46 1uz4A1 VAL 94 HA -0.26 0.04 0.55 -0.75 4.13 3.71 1uz4A1 VAL 94 HB -0.28 -0.04 0.14 -0.04 2.12 1.90 1uz4A1 VAL 94 HG13 0.13 -0.00 0.03 -0.04 0.97 1.08 1uz4A1 VAL 94 HG23 -0.22 0.03 -0.08 -0.04 0.95 0.64 1uz4A1 LYS 95 H 0.46 0.23 0.18 -0.55 8.42 8.72 1uz4A1 LYS 95 HA 0.29 -0.00 0.43 -0.75 4.32 4.28 1uz4A1 LYS 95 HB2 0.42 -0.06 0.07 -0.04 1.87 2.26 1uz4A1 LYS 95 HB3 0.25 -0.02 0.04 -0.04 1.79 2.02 1uz4A1 LYS 95 HG2 0.21 0.02 -0.03 -0.04 1.46 1.62 1uz4A1 LYS 95 HG3 0.29 0.08 -0.68 -0.04 1.46 1.11 1uz4A1 LYS 95 HD2 0.29 -0.07 -0.03 -0.04 1.69 1.84 1uz4A1 LYS 95 HD3 0.18 -0.05 -0.01 -0.04 1.68 1.75 1uz4A1 LYS 95 HE2 0.16 0.14 -0.02 -0.04 2.99 3.23 1uz4A1 LYS 95 HE3 0.21 0.06 -0.09 -0.04 2.99 3.14 1uz4A1 PRO 96 HA 0.24 0.07 0.30 -0.51 4.44 4.55 1uz4A1 PRO 96 HB2 0.21 0.09 0.03 -0.04 2.28 2.58 1uz4A1 PRO 96 HB3 0.19 0.04 0.09 -0.04 2.02 2.30 1uz4A1 PRO 96 HG2 0.35 0.01 -0.09 -0.04 2.03 2.26 1uz4A1 PRO 96 HG3 0.23 0.00 0.03 -0.04 2.03 2.26 1uz4A1 PRO 96 HD2 0.48 0.13 0.37 -0.04 3.68 4.61 1uz4A1 PRO 96 HD3 0.29 0.08 0.15 -0.04 3.65 4.13 1uz4A1 ALA 97 H 0.21 0.15 0.05 -0.55 8.40 8.26 1uz4A1 ALA 97 HA 0.35 0.18 0.67 -0.75 4.34 4.79 1uz4A1 ALA 97 HB3 0.21 0.03 -0.34 -0.04 1.41 1.26 1uz4A1 VAL 98 H 0.22 0.10 0.08 -0.55 8.24 8.09 1uz4A1 VAL 98 HA 0.12 0.06 0.69 -0.75 4.13 4.25 1uz4A1 VAL 98 HB 0.19 -0.08 0.26 -0.04 2.12 2.46 1uz4A1 VAL 98 HG13 0.20 0.03 -0.03 -0.04 0.97 1.13 1uz4A1 VAL 98 HG23 0.01 0.04 -0.00 -0.04 0.95 0.96 1uz4A1 THR 99 H 0.22 0.37 0.06 -0.55 8.28 8.38 1uz4A1 THR 99 HA 0.08 0.26 0.70 -0.75 4.39 4.66 1uz4A1 THR 99 HB 0.31 -0.13 0.27 -0.04 4.32 4.73 1uz4A1 THR 99 HG23 -0.02 0.01 -0.24 -0.04 1.22 0.93 1uz4A1 ASN 100 H -0.04 0.78 0.15 -0.55 8.53 8.88 1uz4A1 ASN 100 HA 0.06 -0.03 0.70 -0.75 4.76 4.74 1uz4A1 ASN 100 HB2 -0.04 0.13 0.20 -0.04 2.88 3.14 1uz4A1 ASN 100 HB3 -0.02 -0.02 0.13 -0.04 2.79 2.84 1uz4A1 ASN 100 HD21 0.09 0.00 -0.02 -0.04 7.03 7.06 1uz4A1 ASN 100 HD22 0.04 0.05 -0.01 -0.04 7.74 7.78 1uz4A1 GLY 101 H -0.51 0.15 -0.11 -0.55 8.43 7.42 1uz4A1 GLY 101 HA2 -2.38 -0.01 0.32 -0.51 4.01 1.43 1uz4A1 GLY 101 HA3 -0.79 0.22 0.68 -0.51 4.01 3.61 1uz4A1 PHE 102 H -1.07 0.13 0.07 -0.55 8.34 6.92 1uz4A1 PHE 102 HA -0.24 -0.03 0.26 -0.75 4.62 3.85 1uz4A1 PHE 102 HB2 -0.20 0.03 0.10 -0.04 3.15 3.04 1uz4A1 PHE 102 HB3 -0.10 0.06 -0.02 -0.04 3.06 2.96 1uz4A1 PHE 102 HD2 -0.02 0.02 -0.00 -0.04 7.28 7.24 1uz4A1 PHE 102 HE2 -0.02 0.01 -0.06 -0.04 7.38 7.27 1uz4A1 PHE 102 HZ 0.31 0.05 0.04 -0.04 7.32 7.68 1uz4A1 GLY 103 H -0.19 0.09 0.10 -0.55 8.43 7.88 1uz4A1 GLY 103 HA2 -0.30 0.01 0.31 -0.51 4.01 3.52 1uz4A1 GLY 103 HA3 -0.12 0.12 0.31 -0.51 4.01 3.80 1uz4A1 ASN 104 H -0.40 0.50 -0.58 -0.55 8.53 7.50 1uz4A1 ASN 104 HA -0.17 0.13 0.61 -0.75 4.76 4.58 1uz4A1 ASN 104 HB2 -0.23 0.10 -0.09 -0.04 2.88 2.63 1uz4A1 ASN 104 HB3 -0.12 -0.06 0.06 -0.04 2.79 2.63 1uz4A1 ASN 104 HD21 -0.16 -0.06 -0.05 -0.04 7.03 6.71 1uz4A1 ASN 104 HD22 -0.24 0.18 -0.02 -0.04 7.74 7.61 1uz4A1 TYR 105 H -0.08 0.30 0.07 -0.55 8.29 8.03 1uz4A1 TYR 105 HA 0.05 0.27 0.56 -0.75 4.56 4.69 1uz4A1 TYR 105 HB2 0.03 0.01 0.04 -0.04 3.06 3.09 1uz4A1 TYR 105 HB3 0.05 -0.00 -0.05 -0.04 2.98 2.93 1uz4A1 TYR 105 HD2 0.06 0.03 -0.09 -0.04 7.15 7.10 1uz4A1 TYR 105 HE2 0.08 0.02 -0.05 -0.04 6.85 6.86 1uz4A1 ASP 106 H 0.16 0.65 0.38 -0.55 8.40 9.04 1uz4A1 ASP 106 HA 0.08 0.10 0.74 -0.75 4.63 4.79 1uz4A1 ASP 106 HB2 0.09 0.19 0.23 -0.04 2.71 3.18 1uz4A1 ASP 106 HB3 0.09 -0.07 0.33 -0.04 2.70 3.00 1uz4A1 GLU 107 H 0.07 0.35 0.20 -0.55 8.60 8.67 1uz4A1 GLU 107 HA 0.06 0.09 0.37 -0.75 4.29 4.04 1uz4A1 GLU 107 HB2 0.05 -0.01 0.13 -0.04 2.09 2.22 1uz4A1 GLU 107 HB3 0.04 0.03 0.03 -0.04 1.99 2.05 1uz4A1 GLU 107 HG2 0.08 0.08 0.05 -0.04 2.34 2.50 1uz4A1 GLU 107 HG3 0.05 0.04 0.06 -0.04 2.34 2.45 1uz4A1 THR 108 H 0.05 0.09 -0.17 -0.55 8.28 7.70 1uz4A1 THR 108 HA 0.04 0.14 0.51 -0.75 4.39 4.32 1uz4A1 THR 108 HB 0.05 -0.04 0.09 -0.04 4.32 4.38 1uz4A1 THR 108 HG23 0.04 0.01 -0.05 -0.04 1.22 1.18 1uz4A1 LEU 109 H 0.04 0.12 -0.16 -0.55 8.37 7.82 1uz4A1 LEU 109 HA -0.00 0.05 0.50 -0.75 4.35 4.14 1uz4A1 LEU 109 HB2 0.01 0.14 0.12 -0.04 1.64 1.86 1uz4A1 LEU 109 HB3 -0.14 0.00 -0.05 -0.04 1.64 1.40 1uz4A1 LEU 109 HG 0.06 -0.08 0.00 -0.04 1.64 1.59 1uz4A1 LEU 109 HD13 0.05 0.02 -0.26 -0.04 0.93 0.70 1uz4A1 LEU 109 HD23 0.06 -0.00 -0.06 -0.04 0.89 0.84 1uz4A1 LEU 110 H 0.03 0.42 -0.15 -0.55 8.37 8.13 1uz4A1 LEU 110 HA 0.03 0.04 0.53 -0.75 4.35 4.19 1uz4A1 LEU 110 HB2 0.03 0.07 0.12 -0.04 1.64 1.83 1uz4A1 LEU 110 HB3 0.03 0.01 0.06 -0.04 1.64 1.70 1uz4A1 LEU 110 HG 0.05 -0.01 0.01 -0.04 1.64 1.65 1uz4A1 LEU 110 HD13 -0.01 -0.00 -0.11 -0.04 0.93 0.76 1uz4A1 LEU 110 HD23 0.04 0.00 0.03 -0.04 0.89 0.92 1uz4A1 GLN 111 H 0.04 0.44 -0.28 -0.55 8.47 8.13 1uz4A1 GLN 111 HA 0.09 -0.05 0.59 -0.75 4.36 4.23 1uz4A1 GLN 111 HB2 0.04 0.24 0.19 -0.04 2.15 2.58 1uz4A1 GLN 111 HB3 0.06 -0.03 0.08 -0.04 2.02 2.09 1uz4A1 GLN 111 HG2 0.06 -0.09 0.09 -0.04 2.40 2.42 1uz4A1 GLN 111 HG3 0.04 0.20 0.12 -0.04 2.39 2.71 1uz4A1 GLN 111 HE21 0.03 0.01 -0.00 -0.04 6.97 6.97 1uz4A1 GLN 111 HE22 0.04 0.01 0.00 -0.04 7.69 7.70 1uz4A1 GLY 112 H 0.03 0.38 -0.44 -0.55 8.43 7.86 1uz4A1 GLY 112 HA2 0.08 0.19 0.07 -0.51 4.01 3.84 1uz4A1 GLY 112 HA3 0.03 0.20 0.13 -0.51 4.01 3.87 1uz4A1 LEU 113 H 0.06 0.30 -0.14 -0.55 8.37 8.03 1uz4A1 LEU 113 HA 0.04 -0.01 0.53 -0.75 4.35 4.15 1uz4A1 LEU 113 HB2 0.07 -0.01 0.11 -0.04 1.64 1.77 1uz4A1 LEU 113 HB3 0.16 0.17 0.18 -0.04 1.64 2.11 1uz4A1 LEU 113 HG 0.13 -0.00 -0.16 -0.04 1.64 1.57 1uz4A1 LEU 113 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 1uz4A1 LEU 113 HD23 0.25 0.02 0.01 -0.04 0.89 1.13 1uz4A1 ASP 114 H 0.14 0.42 -0.09 -0.55 8.40 8.33 1uz4A1 ASP 114 HA 0.15 0.04 0.36 -0.75 4.63 4.42 1uz4A1 ASP 114 HB2 0.13 0.23 0.20 -0.04 2.71 3.23 1uz4A1 ASP 114 HB3 0.13 -0.17 0.03 -0.04 2.70 2.65 1uz4A1 TYR 115 H 0.20 0.57 -0.25 -0.55 8.29 8.26 1uz4A1 TYR 115 HA 0.02 -0.02 0.46 -0.75 4.56 4.27 1uz4A1 TYR 115 HB2 0.03 0.09 0.17 -0.04 3.06 3.32 1uz4A1 TYR 115 HB3 0.02 0.09 0.20 -0.04 2.98 3.25 1uz4A1 TYR 115 HD2 0.02 -0.02 -0.03 -0.04 7.15 7.09 1uz4A1 TYR 115 HE2 0.02 -0.01 -0.01 -0.04 6.85 6.81 1uz4A1 LEU 116 H 0.10 0.58 -0.12 -0.55 8.37 8.39 1uz4A1 LEU 116 HA -0.05 -0.01 0.38 -0.75 4.35 3.91 1uz4A1 LEU 116 HB2 0.02 0.06 0.04 -0.04 1.64 1.71 1uz4A1 LEU 116 HB3 -0.02 0.12 0.11 -0.04 1.64 1.81 1uz4A1 LEU 116 HG -0.09 0.03 -0.36 -0.04 1.64 1.18 1uz4A1 LEU 116 HD13 -0.07 0.00 -0.11 -0.04 0.93 0.72 1uz4A1 LEU 116 HD23 -0.08 -0.03 -0.25 -0.04 0.89 0.49 1uz4A1 LEU 117 H -0.06 0.54 -0.28 -0.55 8.37 8.02 1uz4A1 LEU 117 HA -0.14 0.03 0.26 -0.75 4.35 3.74 1uz4A1 LEU 117 HB2 -0.11 0.08 0.12 -0.04 1.64 1.68 1uz4A1 LEU 117 HB3 -0.18 -0.04 -0.02 -0.04 1.64 1.37 1uz4A1 LEU 117 HG -0.16 0.13 -0.01 -0.04 1.64 1.56 1uz4A1 LEU 117 HD13 -0.60 -0.02 -0.09 -0.04 0.93 0.18 1uz4A1 LEU 117 HD23 -0.25 -0.02 -0.14 -0.04 0.89 0.45 1uz4A1 VAL 118 H -0.11 0.47 -0.14 -0.55 8.24 7.91 1uz4A1 VAL 118 HA -0.09 0.02 0.50 -0.75 4.13 3.81 1uz4A1 VAL 118 HB -0.25 0.15 0.20 -0.04 2.12 2.18 1uz4A1 VAL 118 HG13 -0.13 -0.01 -0.10 -0.04 0.97 0.70 1uz4A1 VAL 118 HG23 -0.03 0.02 0.04 -0.04 0.95 0.94 1uz4A1 GLU 119 H -0.27 0.55 -0.14 -0.55 8.60 8.20 1uz4A1 GLU 119 HA -0.17 0.01 0.28 -0.75 4.29 3.65 1uz4A1 GLU 119 HB2 -0.16 0.08 0.08 -0.04 2.09 2.04 1uz4A1 GLU 119 HB3 -0.12 -0.05 -0.05 -0.04 1.99 1.72 1uz4A1 GLU 119 HG2 -0.82 0.26 0.04 -0.04 2.34 1.78 1uz4A1 GLU 119 HG3 -0.30 -0.09 -0.09 -0.04 2.34 1.82 1uz4A1 LEU 120 H -0.13 0.63 -0.09 -0.55 8.37 8.23 1uz4A1 LEU 120 HA -0.09 0.01 0.46 -0.75 4.35 3.97 1uz4A1 LEU 120 HB2 -0.12 0.04 0.03 -0.04 1.64 1.55 1uz4A1 LEU 120 HB3 -0.11 0.18 -0.17 -0.04 1.64 1.50 1uz4A1 LEU 120 HG -0.11 0.06 -0.06 -0.04 1.64 1.49 1uz4A1 LEU 120 HD13 -0.13 -0.03 -0.30 -0.04 0.93 0.43 1uz4A1 LEU 120 HD23 -0.11 -0.02 -0.17 -0.04 0.89 0.55 1uz4A1 ALA 121 H -0.10 0.45 -0.20 -0.55 8.40 8.00 1uz4A1 ALA 121 HA -0.07 0.06 0.42 -0.75 4.34 3.98 1uz4A1 ALA 121 HB3 -0.07 0.01 0.13 -0.04 1.41 1.44 1uz4A1 LYS 122 H -0.08 0.41 -0.21 -0.55 8.42 8.00 1uz4A1 LYS 122 HA -0.04 -0.00 0.41 -0.75 4.32 3.94 1uz4A1 LYS 122 HB2 -0.06 0.17 0.05 -0.04 1.87 1.98 1uz4A1 LYS 122 HB3 -0.04 -0.07 0.02 -0.04 1.79 1.66 1uz4A1 LYS 122 HG2 -0.04 -0.06 0.04 -0.04 1.46 1.36 1uz4A1 LYS 122 HG3 -0.08 0.26 0.08 -0.04 1.46 1.68 1uz4A1 LYS 122 HD2 -0.07 -0.01 -0.01 -0.04 1.69 1.56 1uz4A1 LYS 122 HD3 -0.03 -0.04 -0.01 -0.04 1.68 1.56 1uz4A1 LYS 122 HE2 -0.04 -0.01 -0.03 -0.04 2.99 2.86 1uz4A1 LYS 122 HE3 -0.10 0.00 -0.13 -0.04 2.99 2.72 1uz4A1 ARG 123 H -0.06 0.36 -0.53 -0.55 8.46 7.68 1uz4A1 ARG 123 HA -0.04 0.13 0.80 -0.75 4.34 4.48 1uz4A1 ARG 123 HB2 -0.06 0.06 0.08 -0.04 1.90 1.93 1uz4A1 ARG 123 HB3 -0.05 -0.02 0.11 -0.04 1.80 1.80 1uz4A1 ARG 123 HG2 -0.03 -0.03 -0.09 -0.04 1.67 1.48 1uz4A1 ARG 123 HG3 -0.05 -0.03 -0.22 -0.04 1.67 1.33 1uz4A1 ARG 123 HD2 -0.06 0.06 -0.11 -0.04 3.22 3.07 1uz4A1 ARG 123 HD3 -0.05 0.03 -0.18 -0.04 3.22 2.98 1uz4A1 ASP 124 H -0.05 0.33 -0.17 -0.55 8.40 7.96 1uz4A1 ASP 124 HA -0.04 0.01 0.31 -0.75 4.63 4.16 1uz4A1 ASP 124 HB2 -0.02 0.12 0.04 -0.04 2.71 2.81 1uz4A1 ASP 124 HB3 -0.01 -0.04 0.21 -0.04 2.70 2.81 1uz4A1 MET 125 H -0.07 0.39 -0.11 -0.55 8.47 8.14 1uz4A1 MET 125 HA -0.05 0.28 0.86 -0.75 4.52 4.86 1uz4A1 MET 125 HB2 -0.09 -0.10 -0.03 -0.04 2.15 1.89 1uz4A1 MET 125 HB3 -0.10 -0.08 -0.16 -0.04 2.03 1.65 1uz4A1 MET 125 HG2 -0.09 0.10 -0.07 -0.04 2.63 2.53 1uz4A1 MET 125 HG3 -0.07 0.21 -0.37 -0.04 2.56 2.29 1uz4A1 MET 125 HE3 -0.15 -0.01 -0.21 -0.04 2.10 1.68 1uz4A1 THR 126 H -0.06 0.58 0.34 -0.55 8.28 8.59 1uz4A1 THR 126 HA -0.13 0.36 1.07 -0.75 4.39 4.94 1uz4A1 THR 126 HB -0.16 -0.10 0.16 -0.04 4.32 4.18 1uz4A1 THR 126 HG23 -0.15 0.03 -0.15 -0.04 1.22 0.91 1uz4A1 VAL 127 H -0.19 0.48 0.41 -0.55 8.24 8.39 1uz4A1 VAL 127 HA -0.10 0.24 0.95 -0.75 4.13 4.46 1uz4A1 VAL 127 HB -0.13 0.02 -0.24 -0.04 2.12 1.73 1uz4A1 VAL 127 HG13 -0.22 0.03 -0.15 -0.04 0.97 0.59 1uz4A1 VAL 127 HG23 -0.10 -0.02 -0.21 -0.04 0.95 0.59 1uz4A1 VAL 128 H -0.03 0.63 0.36 -0.55 8.24 8.65 1uz4A1 VAL 128 HA -0.05 0.27 0.91 -0.75 4.13 4.50 1uz4A1 VAL 128 HB 0.12 -0.08 0.12 -0.04 2.12 2.23 1uz4A1 VAL 128 HG13 0.23 -0.01 -0.31 -0.04 0.97 0.84 1uz4A1 VAL 128 HG23 0.04 0.01 -0.19 -0.04 0.95 0.77 1uz4A1 LEU 129 H -0.02 0.64 0.22 -0.55 8.37 8.65 1uz4A1 LEU 129 HA -0.08 0.29 0.88 -0.75 4.35 4.69 1uz4A1 LEU 129 HB2 0.02 0.07 0.16 -0.04 1.64 1.84 1uz4A1 LEU 129 HB3 -0.15 -0.04 -0.07 -0.04 1.64 1.34 1uz4A1 LEU 129 HG -0.15 -0.04 -0.33 -0.04 1.64 1.08 1uz4A1 LEU 129 HD13 -0.07 0.02 -0.09 -0.04 0.93 0.74 1uz4A1 LEU 129 HD23 -0.08 0.01 -0.18 -0.04 0.89 0.59 1uz4A1 TYR 130 H -0.25 0.41 0.28 -0.55 8.29 8.18 1uz4A1 TYR 130 HA 0.08 0.42 0.96 -0.75 4.56 5.27 1uz4A1 TYR 130 HB2 0.22 -0.12 -0.25 -0.04 3.06 2.87 1uz4A1 TYR 130 HB3 0.21 0.03 -0.23 -0.04 2.98 2.96 1uz4A1 TYR 130 HD2 0.19 0.09 -0.13 -0.04 7.15 7.26 1uz4A1 TYR 130 HE2 0.28 -0.02 -0.21 -0.04 6.85 6.86 1uz4A1 PHE 131 H 0.48 0.46 -0.02 -0.55 8.34 8.71 1uz4A1 PHE 131 HA 0.22 0.04 0.54 -0.75 4.62 4.67 1uz4A1 PHE 131 HB2 0.33 0.23 0.09 -0.04 3.15 3.76 1uz4A1 PHE 131 HB3 0.26 -0.06 0.11 -0.04 3.06 3.34 1uz4A1 PHE 131 HD2 0.15 0.03 -0.07 -0.04 7.28 7.36 1uz4A1 PHE 131 HE2 0.05 -0.01 -0.04 -0.04 7.38 7.35 1uz4A1 PHE 131 HZ -0.51 0.05 -0.06 -0.04 7.32 6.76 1uz4A1 ASN 132 H 0.42 0.18 0.06 -0.55 8.53 8.64 1uz4A1 ASN 132 HA 0.23 0.11 0.47 -0.75 4.76 4.81 1uz4A1 ASN 132 HB2 0.44 0.23 -0.24 -0.04 2.88 3.27 1uz4A1 ASN 132 HB3 0.09 -0.04 -0.02 -0.04 2.79 2.78 1uz4A1 ASN 132 HD21 -1.17 -0.04 -0.03 -0.04 7.03 5.75 1uz4A1 ASN 132 HD22 -0.34 0.11 -0.02 -0.04 7.74 7.46 1uz4A1 ASN 133 H -0.12 0.25 0.16 -0.55 8.53 8.27 1uz4A1 ASN 133 HA -0.03 0.10 0.88 -0.75 4.76 4.96 1uz4A1 ASN 133 HB2 -0.21 0.09 -0.35 -0.04 2.88 2.36 1uz4A1 ASN 133 HB3 -0.26 0.04 -0.08 -0.04 2.79 2.46 1uz4A1 ASN 133 HD21 -2.84 -0.02 -0.13 -0.04 7.03 4.01 1uz4A1 ASN 133 HD22 -1.40 -0.00 -0.16 -0.04 7.74 6.14 1uz4A1 PHE 134 H -0.06 0.71 0.18 -0.55 8.34 8.62 1uz4A1 PHE 134 HA -0.48 0.04 0.59 -0.75 4.62 4.02 1uz4A1 PHE 134 HB2 -0.41 0.08 -0.13 -0.04 3.15 2.65 1uz4A1 PHE 134 HB3 -1.23 -0.02 0.04 -0.04 3.06 1.80 1uz4A1 PHE 134 HD2 -1.38 -0.01 -0.02 -0.04 7.28 5.83 1uz4A1 PHE 134 HE2 -0.30 0.05 -0.04 -0.04 7.38 7.05 1uz4A1 PHE 134 HZ -0.18 0.05 -0.00 -0.04 7.32 7.14 1uz4A1 TRP 135 H -0.11 -0.00 -0.20 -0.55 7.97 7.12 1uz4A1 TRP 135 HA 0.29 0.21 0.53 -0.75 4.62 4.90 1uz4A1 TRP 135 HB2 0.02 -0.04 -0.02 -0.04 3.23 3.15 1uz4A1 TRP 135 HB3 0.22 -0.09 0.11 -0.04 3.23 3.43 1uz4A1 TRP 135 HD1 0.20 -0.01 -0.06 -0.04 7.22 7.31 1uz4A1 TRP 135 HE1 0.14 0.03 -0.07 -0.04 10.20 10.26 1uz4A1 TRP 135 HE3 0.41 -0.03 -0.03 -0.04 7.59 7.89 1uz4A1 TRP 135 HZ2 0.14 0.03 -0.05 -0.04 7.44 7.52 1uz4A1 TRP 135 HZ3 0.61 -0.02 -0.05 -0.04 7.13 7.63 1uz4A1 TRP 135 HH2 0.26 0.02 -0.04 -0.04 7.19 7.39 1uz4A1 GLN 136 H 0.36 0.14 0.11 -0.55 8.47 8.54 1uz4A1 GLN 136 HA 0.12 0.33 0.24 -0.75 4.36 4.29 1uz4A1 GLN 136 HB2 0.10 0.01 0.05 -0.04 2.15 2.28 1uz4A1 GLN 136 HB3 0.02 0.01 0.06 -0.04 2.02 2.07 1uz4A1 GLN 136 HG2 0.15 0.17 -0.33 -0.04 2.40 2.35 1uz4A1 GLN 136 HG3 0.02 -0.09 -0.06 -0.04 2.39 2.22 1uz4A1 GLN 136 HE21 0.20 0.08 0.01 -0.04 6.97 7.22 1uz4A1 GLN 136 HE22 0.05 -0.09 0.00 -0.04 7.69 7.62 1uz4A1 TRP 137 H -0.03 0.06 -0.20 -0.55 7.97 7.24 1uz4A1 TRP 137 HA -0.05 0.40 0.23 -0.75 4.62 4.45 1uz4A1 TRP 137 HB2 -0.29 -0.01 0.09 -0.04 3.23 2.98 1uz4A1 TRP 137 HB3 -0.11 0.03 0.06 -0.04 3.23 3.18 1uz4A1 TRP 137 HD1 0.02 -0.04 -0.02 -0.04 7.22 7.13 1uz4A1 TRP 137 HE1 0.08 0.03 -0.05 -0.04 10.20 10.21 1uz4A1 TRP 137 HE3 -0.67 0.00 -0.26 -0.04 7.59 6.63 1uz4A1 TRP 137 HZ2 0.32 0.03 -0.04 -0.04 7.44 7.71 1uz4A1 TRP 137 HZ3 -0.49 0.03 -0.07 -0.04 7.13 6.56 1uz4A1 TRP 137 HH2 0.49 0.01 -0.02 -0.04 7.19 7.64 1uz4A1 SER 138 H -0.40 0.10 -0.37 -0.55 8.46 7.23 1uz4A1 SER 138 HA -0.00 0.21 0.75 -0.75 4.49 4.69 1uz4A1 SER 138 HB2 -0.03 0.02 0.24 -0.04 3.95 4.14 1uz4A1 SER 138 HB3 -0.37 0.02 -0.02 -0.04 3.93 3.51 1uz4A1 GLY 139 H -0.05 0.48 -0.22 -0.55 8.43 8.10 1uz4A1 GLY 139 HA2 -0.09 0.02 0.34 -0.51 4.01 3.78 1uz4A1 GLY 139 HA3 -0.11 0.17 0.73 -0.51 4.01 4.29 1uz4A1 GLY 140 H -0.06 0.23 0.04 -0.55 8.43 8.10 1uz4A1 GLY 140 HA2 -0.05 -0.00 0.33 -0.51 4.01 3.78 1uz4A1 GLY 140 HA3 -0.18 0.26 0.21 -0.51 4.01 3.79 1uz4A1 MET 141 H -0.41 0.66 0.33 -0.55 8.47 8.50 1uz4A1 MET 141 HA -0.67 0.03 0.29 -0.75 4.52 3.41 1uz4A1 MET 141 HB2 -0.72 0.03 0.24 -0.04 2.15 1.65 1uz4A1 MET 141 HB3 -0.81 0.14 0.15 -0.04 2.03 1.47 1uz4A1 MET 141 HG2 -2.19 0.01 0.02 -0.04 2.63 0.43 1uz4A1 MET 141 HG3 -0.75 -0.04 0.02 -0.04 2.56 1.75 1uz4A1 MET 141 HE3 -0.35 -0.02 -0.18 -0.04 2.10 1.51 1uz4A1 THR 142 H -0.39 0.22 -0.07 -0.55 8.28 7.49 1uz4A1 THR 142 HA -0.31 0.13 0.47 -0.75 4.39 3.93 1uz4A1 THR 142 HB -0.29 -0.02 0.02 -0.04 4.32 3.99 1uz4A1 THR 142 HG23 -1.08 0.01 -0.02 -0.04 1.22 0.10 1uz4A1 GLN 143 H -0.22 0.38 -0.49 -0.55 8.47 7.60 1uz4A1 GLN 143 HA -0.42 0.04 0.56 -0.75 4.36 3.78 1uz4A1 GLN 143 HB2 -0.31 -0.04 -0.06 -0.04 2.15 1.70 1uz4A1 GLN 143 HB3 -0.45 0.07 -0.13 -0.04 2.02 1.47 1uz4A1 GLN 143 HG2 -0.61 0.10 -0.24 -0.04 2.40 1.62 1uz4A1 GLN 143 HG3 -1.89 -0.04 -0.15 -0.04 2.39 0.27 1uz4A1 GLN 143 HE21 -0.39 -0.04 0.01 -0.04 6.97 6.51 1uz4A1 GLN 143 HE22 -2.19 -0.04 0.03 -0.04 7.69 5.45 1uz4A1 TYR 144 H 0.07 0.43 -0.12 -0.55 8.29 8.12 1uz4A1 TYR 144 HA 0.08 0.01 0.44 -0.75 4.56 4.34 1uz4A1 TYR 144 HB2 0.09 0.26 0.20 -0.04 3.06 3.56 1uz4A1 TYR 144 HB3 0.34 -0.04 -0.03 -0.04 2.98 3.20 1uz4A1 TYR 144 HD2 0.18 0.09 -0.04 -0.04 7.15 7.35 1uz4A1 TYR 144 HE2 0.30 -0.03 -0.11 -0.04 6.85 6.97 1uz4A1 MET 145 H 0.02 0.40 -0.22 -0.55 8.47 8.12 1uz4A1 MET 145 HA 0.11 0.01 0.35 -0.75 4.52 4.24 1uz4A1 MET 145 HB2 -0.10 0.07 0.09 -0.04 2.15 2.17 1uz4A1 MET 145 HB3 -0.04 -0.02 -0.00 -0.04 2.03 1.93 1uz4A1 MET 145 HG2 -0.06 0.18 0.06 -0.04 2.63 2.78 1uz4A1 MET 145 HG3 -0.09 0.07 -0.04 -0.04 2.56 2.46 1uz4A1 MET 145 HE3 -0.01 -0.00 -0.08 -0.04 2.10 1.97 1uz4A1 ALA 146 H -0.14 0.44 -0.20 -0.55 8.40 7.95 1uz4A1 ALA 146 HA -0.03 0.11 0.51 -0.75 4.34 4.18 1uz4A1 ALA 146 HB3 -0.19 0.00 0.10 -0.04 1.41 1.29 1uz4A1 TRP 147 H -0.12 0.50 -0.21 -0.55 7.97 7.59 1uz4A1 TRP 147 HA -0.07 0.04 0.41 -0.75 4.62 4.24 1uz4A1 TRP 147 HB2 -0.33 0.12 0.17 -0.04 3.23 3.15 1uz4A1 TRP 147 HB3 -0.31 -0.04 0.01 -0.04 3.23 2.85 1uz4A1 TRP 147 HD1 -0.12 0.02 -0.07 -0.04 7.22 7.01 1uz4A1 TRP 147 HE1 -0.12 0.01 -0.02 -0.04 10.20 10.03 1uz4A1 TRP 147 HE3 -1.81 0.04 -0.01 -0.04 7.59 5.77 1uz4A1 TRP 147 HZ2 -0.13 0.04 0.11 -0.04 7.44 7.42 1uz4A1 TRP 147 HZ3 -0.52 0.01 -0.14 -0.04 7.13 6.45 1uz4A1 TRP 147 HH2 -0.18 0.12 0.06 -0.04 7.19 7.15 1uz4A1 ILE 148 H 0.29 0.43 -0.15 -0.55 8.25 8.27 1uz4A1 ILE 148 HA 0.25 0.02 0.40 -0.75 4.18 4.10 1uz4A1 ILE 148 HB 0.17 0.07 0.15 -0.04 1.89 2.24 1uz4A1 ILE 148 HG12 0.27 -0.05 -0.03 -0.04 1.49 1.64 1uz4A1 ILE 148 HG13 0.58 0.11 0.05 -0.04 1.21 1.91 1uz4A1 ILE 148 HG23 0.09 -0.03 -0.07 -0.04 0.93 0.88 1uz4A1 ILE 148 HD13 0.23 -0.05 -0.13 -0.04 0.88 0.88 1uz4A1 GLU 149 H 0.10 0.48 -0.19 -0.55 8.60 8.44 1uz4A1 GLU 149 HA 0.05 0.08 0.41 -0.75 4.29 4.07 1uz4A1 GLU 149 HB2 0.02 0.08 0.11 -0.04 2.09 2.26 1uz4A1 GLU 149 HB3 0.02 -0.05 0.07 -0.04 1.99 1.98 1uz4A1 GLU 149 HG2 0.02 -0.03 -0.03 -0.04 2.34 2.26 1uz4A1 GLU 149 HG3 0.04 -0.02 0.01 -0.04 2.34 2.34 1uz4A1 GLY 150 H 0.10 0.31 -0.35 -0.55 8.43 7.95 1uz4A1 GLY 150 HA2 0.08 0.01 0.27 -0.51 4.01 3.87 1uz4A1 GLY 150 HA3 0.05 0.03 0.48 -0.51 4.01 4.06 1uz4A1 GLU 151 H 0.04 0.24 -0.08 -0.55 8.60 8.25 1uz4A1 GLU 151 HA 0.02 0.18 0.83 -0.75 4.29 4.57 1uz4A1 GLU 151 HB2 -0.00 -0.08 -0.02 -0.04 2.09 1.95 1uz4A1 GLU 151 HB3 -0.00 0.01 -0.03 -0.04 1.99 1.93 1uz4A1 GLU 151 HG2 0.02 0.13 -0.48 -0.04 2.34 1.97 1uz4A1 GLU 151 HG3 0.00 -0.06 -0.10 -0.04 2.34 2.14 1uz4A1 PRO 152 HA -0.01 0.01 0.38 -0.51 4.44 4.31 1uz4A1 PRO 152 HB2 0.00 0.07 -0.02 -0.04 2.28 2.29 1uz4A1 PRO 152 HB3 0.02 0.01 0.06 -0.04 2.02 2.08 1uz4A1 PRO 152 HG2 0.00 0.01 -0.02 -0.04 2.03 1.98 1uz4A1 PRO 152 HG3 0.01 0.05 0.03 -0.04 2.03 2.08 1uz4A1 PRO 152 HD2 0.01 0.10 0.17 -0.04 3.68 3.91 1uz4A1 PRO 152 HD3 0.02 0.20 0.13 -0.04 3.65 3.96 1uz4A1 VAL 153 H -0.05 0.04 0.14 -0.55 8.24 7.82 1uz4A1 VAL 153 HA -0.04 0.12 0.49 -0.75 4.13 3.94 1uz4A1 VAL 153 HB -0.03 -0.10 0.08 -0.04 2.12 2.02 1uz4A1 VAL 153 HG13 0.05 -0.03 -0.29 -0.04 0.97 0.67 1uz4A1 VAL 153 HG23 -0.13 0.03 -0.11 -0.04 0.95 0.70 1uz4A1 GLN 154 H -0.00 0.19 0.11 -0.55 8.47 8.22 1uz4A1 GLN 154 HA -0.02 0.15 0.81 -0.75 4.36 4.55 1uz4A1 GLN 154 HB2 -0.02 -0.05 0.11 -0.04 2.15 2.14 1uz4A1 GLN 154 HB3 -0.04 0.01 0.00 -0.04 2.02 1.95 1uz4A1 GLN 154 HG2 -0.02 0.06 -0.10 -0.04 2.40 2.30 1uz4A1 GLN 154 HG3 -0.02 0.09 -0.05 -0.04 2.39 2.36 1uz4A1 GLN 154 HE21 -0.02 -0.01 -0.03 -0.04 6.97 6.88 1uz4A1 GLN 154 HE22 -0.02 0.08 -0.04 -0.04 7.69 7.68 1uz4A1 ASP 155 H -0.03 0.22 0.03 -0.55 8.40 8.06 1uz4A1 ASP 155 HA -0.08 0.11 0.36 -0.75 4.63 4.26 1uz4A1 ASP 155 HB2 -0.00 0.05 0.10 -0.04 2.71 2.81 1uz4A1 ASP 155 HB3 -0.05 0.01 0.16 -0.04 2.70 2.79 1uz4A1 PRO 156 HA -0.56 -0.02 0.43 -0.51 4.44 3.78 1uz4A1 PRO 156 HB2 -3.11 0.05 -0.08 -0.04 2.28 -0.90 1uz4A1 PRO 156 HB3 -1.16 0.07 0.00 -0.04 2.02 0.89 1uz4A1 PRO 156 HG2 -0.96 0.02 0.04 -0.04 2.03 1.08 1uz4A1 PRO 156 HG3 -1.94 0.07 0.06 -0.04 2.03 0.17 1uz4A1 PRO 156 HD2 -0.36 0.03 0.21 -0.04 3.68 3.52 1uz4A1 PRO 156 HD3 -0.44 0.31 0.25 -0.04 3.65 3.72 1uz4A1 ASN 157 H -0.22 0.09 -0.24 -0.55 8.53 7.62 1uz4A1 ASN 157 HA 0.11 0.12 0.56 -0.75 4.76 4.80 1uz4A1 ASN 157 HB2 0.05 -0.11 -0.02 -0.04 2.88 2.76 1uz4A1 ASN 157 HB3 0.02 0.10 -0.10 -0.04 2.79 2.77 1uz4A1 ASN 157 HD21 0.36 0.34 0.18 -0.04 7.03 7.87 1uz4A1 ASN 157 HD22 0.43 -0.03 0.03 -0.04 7.74 8.13 1uz4A1 VAL 158 H -0.13 0.20 -0.38 -0.55 8.24 7.39 1uz4A1 VAL 158 HA -0.08 0.20 0.72 -0.75 4.13 4.22 1uz4A1 VAL 158 HB -0.08 0.05 0.12 -0.04 2.12 2.17 1uz4A1 VAL 158 HG13 -0.06 0.01 -0.11 -0.04 0.97 0.78 1uz4A1 VAL 158 HG23 -0.06 -0.02 -0.04 -0.04 0.95 0.78 1uz4A1 THR 159 H -0.17 0.31 0.09 -0.55 8.28 7.95 1uz4A1 THR 159 HA -0.07 0.20 0.40 -0.75 4.39 4.16 1uz4A1 THR 159 HB -0.08 0.04 0.04 -0.04 4.32 4.27 1uz4A1 THR 159 HG23 -0.08 0.05 -0.10 -0.04 1.22 1.05 1uz4A1 ASN 160 H -0.21 0.37 -0.24 -0.55 8.53 7.90 1uz4A1 ASN 160 HA -0.13 0.11 0.30 -0.75 4.76 4.28 1uz4A1 ASN 160 HB2 0.04 0.08 -0.15 -0.04 2.88 2.81 1uz4A1 ASN 160 HB3 0.04 0.13 0.19 -0.04 2.79 3.11 1uz4A1 ASN 160 HD21 0.14 -0.02 0.07 -0.04 7.03 7.18 1uz4A1 ASN 160 HD22 0.09 0.05 0.07 -0.04 7.74 7.91 1uz4A1 GLU 161 H -0.27 0.04 -0.44 -0.55 8.60 7.38 1uz4A1 GLU 161 HA 0.01 0.18 0.64 -0.75 4.29 4.37 1uz4A1 GLU 161 HB2 -0.09 -0.01 0.10 -0.04 2.09 2.04 1uz4A1 GLU 161 HB3 -0.01 -0.10 0.13 -0.04 1.99 1.96 1uz4A1 GLU 161 HG2 -0.06 0.20 -0.13 -0.04 2.34 2.30 1uz4A1 GLU 161 HG3 -0.03 0.02 -0.01 -0.04 2.34 2.28 1uz4A1 TRP 162 H 0.23 0.50 -0.11 -0.55 7.97 8.04 1uz4A1 TRP 162 HA 0.16 0.05 0.23 -0.75 4.62 4.30 1uz4A1 TRP 162 HB2 0.07 0.07 0.10 -0.04 3.23 3.44 1uz4A1 TRP 162 HB3 0.15 0.02 0.00 -0.04 3.23 3.36 1uz4A1 TRP 162 HD1 0.01 0.17 -0.01 -0.04 7.22 7.35 1uz4A1 TRP 162 HE1 -0.04 0.10 -0.02 -0.04 10.20 10.19 1uz4A1 TRP 162 HE3 0.21 -0.03 -0.00 -0.04 7.59 7.73 1uz4A1 TRP 162 HZ2 -0.11 0.07 -0.16 -0.04 7.44 7.20 1uz4A1 TRP 162 HZ3 -0.16 -0.03 -0.03 -0.04 7.13 6.87 1uz4A1 TRP 162 HH2 -0.23 -0.02 -0.06 -0.04 7.19 6.84 1uz4A1 GLU 163 H 0.24 0.19 -0.04 -0.55 8.60 8.44 1uz4A1 GLU 163 HA 0.22 0.04 0.47 -0.75 4.29 4.27 1uz4A1 GLU 163 HB2 0.11 0.04 0.09 -0.04 2.09 2.30 1uz4A1 GLU 163 HB3 0.10 0.02 0.03 -0.04 1.99 2.10 1uz4A1 GLU 163 HG2 0.17 -0.00 0.08 -0.04 2.34 2.54 1uz4A1 GLU 163 HG3 0.10 0.11 0.05 -0.04 2.34 2.56 1uz4A1 ALA 164 H 0.10 0.12 -0.29 -0.55 8.40 7.78 1uz4A1 ALA 164 HA 0.03 0.08 0.39 -0.75 4.34 4.09 1uz4A1 ALA 164 HB3 0.02 0.05 0.06 -0.04 1.41 1.50 1uz4A1 PHE 165 H 0.17 0.46 -0.13 -0.55 8.34 8.29 1uz4A1 PHE 165 HA -0.09 0.05 0.45 -0.75 4.62 4.27 1uz4A1 PHE 165 HB2 -0.20 0.04 0.10 -0.04 3.15 3.06 1uz4A1 PHE 165 HB3 0.07 0.06 0.16 -0.04 3.06 3.30 1uz4A1 PHE 165 HD2 0.05 0.08 -0.09 -0.04 7.28 7.28 1uz4A1 PHE 165 HE2 -0.02 0.04 0.00 -0.04 7.38 7.36 1uz4A1 PHE 165 HZ -0.05 -0.03 -0.13 -0.04 7.32 7.07 1uz4A1 MET 166 H 0.32 0.57 -0.11 -0.55 8.47 8.71 1uz4A1 MET 166 HA -0.12 0.06 0.43 -0.75 4.52 4.14 1uz4A1 MET 166 HB2 0.27 -0.00 0.06 -0.04 2.15 2.43 1uz4A1 MET 166 HB3 0.35 0.05 -0.22 -0.04 2.03 2.17 1uz4A1 MET 166 HG2 0.73 -0.02 -0.01 -0.04 2.63 3.29 1uz4A1 MET 166 HG3 0.71 0.16 0.07 -0.04 2.56 3.46 1uz4A1 MET 166 HE3 0.29 -0.04 -0.08 -0.04 2.10 2.23 1uz4A1 ALA 167 H 0.04 0.50 -0.17 -0.55 8.40 8.22 1uz4A1 ALA 167 HA -0.00 -0.01 0.57 -0.75 4.34 4.14 1uz4A1 ALA 167 HB3 -0.00 0.02 0.10 -0.04 1.41 1.48 1uz4A1 LYS 168 H -0.18 0.51 -0.16 -0.55 8.42 8.03 1uz4A1 LYS 168 HA -0.17 0.04 0.42 -0.75 4.32 3.85 1uz4A1 LYS 168 HB2 -0.17 0.03 0.12 -0.04 1.87 1.80 1uz4A1 LYS 168 HB3 -0.40 0.10 0.19 -0.04 1.79 1.63 1uz4A1 LYS 168 HG2 -0.20 -0.02 -0.00 -0.04 1.46 1.19 1uz4A1 LYS 168 HG3 -0.29 -0.05 -0.13 -0.04 1.46 0.95 1uz4A1 LYS 168 HD2 -0.12 -0.00 -0.04 -0.04 1.69 1.49 1uz4A1 LYS 168 HD3 -0.13 -0.02 0.06 -0.04 1.68 1.55 1uz4A1 LYS 168 HE2 -0.09 -0.01 -0.01 -0.04 2.99 2.84 1uz4A1 LYS 168 HE3 -0.08 0.01 -0.03 -0.04 2.99 2.84 1uz4A1 SER 169 H -0.59 0.51 -0.14 -0.55 8.46 7.70 1uz4A1 SER 169 HA -0.64 -0.07 0.25 -0.75 4.49 3.28 1uz4A1 SER 169 HB2 -1.29 0.08 0.20 -0.04 3.95 2.90 1uz4A1 SER 169 HB3 -1.57 0.05 0.19 -0.04 3.93 2.56 1uz4A1 ALA 170 H -0.24 0.51 -0.16 -0.55 8.40 7.96 1uz4A1 ALA 170 HA -0.48 0.03 0.38 -0.75 4.34 3.52 1uz4A1 ALA 170 HB3 0.12 0.02 -0.00 -0.04 1.41 1.51 1uz4A1 SER 171 H -0.20 0.38 -0.49 -0.55 8.46 7.60 1uz4A1 SER 171 HA -0.08 -0.01 0.48 -0.75 4.49 4.13 1uz4A1 SER 171 HB2 -0.07 -0.07 0.09 -0.04 3.95 3.86 1uz4A1 SER 171 HB3 -0.10 0.07 0.13 -0.04 3.93 3.99 1uz4A1 PHE 172 H -0.23 0.48 -0.35 -0.55 8.34 7.69 1uz4A1 PHE 172 HA -0.25 -0.05 0.47 -0.75 4.62 4.04 1uz4A1 PHE 172 HB2 -0.42 -0.00 0.15 -0.04 3.15 2.84 1uz4A1 PHE 172 HB3 -0.72 0.30 0.19 -0.04 3.06 2.78 1uz4A1 PHE 172 HD2 -0.85 0.00 -0.05 -0.04 7.28 6.34 1uz4A1 PHE 172 HE2 -1.08 0.02 -0.08 -0.04 7.38 6.20 1uz4A1 PHE 172 HZ -1.05 0.04 -0.07 -0.04 7.32 6.21 1uz4A1 TYR 173 H -0.54 0.46 -0.26 -0.55 8.29 7.40 1uz4A1 TYR 173 HA -0.61 0.04 0.25 -0.75 4.56 3.48 1uz4A1 TYR 173 HB2 -0.14 0.03 -0.04 -0.04 3.06 2.88 1uz4A1 TYR 173 HB3 -0.21 0.01 0.00 -0.04 2.98 2.74 1uz4A1 TYR 173 HD2 -1.03 0.03 0.00 -0.04 7.15 6.11 1uz4A1 TYR 173 HE2 -0.98 0.07 0.00 -0.04 6.85 5.90 1uz4A1 ARG 174 H -0.08 0.28 -0.37 -0.55 8.46 7.74 1uz4A1 ARG 174 HA -0.01 0.13 0.60 -0.75 4.34 4.31 1uz4A1 ARG 174 HB2 -0.03 0.10 0.03 -0.04 1.90 1.95 1uz4A1 ARG 174 HB3 -0.01 -0.06 0.14 -0.04 1.80 1.83 1uz4A1 ARG 174 HG2 0.03 -0.01 -0.05 -0.04 1.67 1.60 1uz4A1 ARG 174 HG3 0.01 0.07 0.04 -0.04 1.67 1.75 1uz4A1 ARG 174 HD2 0.00 -0.01 0.01 -0.04 3.22 3.18 1uz4A1 ARG 174 HD3 0.02 -0.05 -0.01 -0.04 3.22 3.13 1uz4A1 SER 175 H -0.16 0.45 -0.34 -0.55 8.46 7.86 1uz4A1 SER 175 HA -0.05 0.11 0.79 -0.75 4.49 4.59 1uz4A1 SER 175 HB2 -0.05 0.12 0.03 -0.04 3.95 4.00 1uz4A1 SER 175 HB3 -0.13 0.14 0.21 -0.04 3.93 4.11 1uz4A1 GLU 176 H -0.04 0.23 0.17 -0.55 8.60 8.42 1uz4A1 GLU 176 HA -0.05 0.15 0.42 -0.75 4.29 4.05 1uz4A1 GLU 176 HB2 -0.03 -0.02 0.14 -0.04 2.09 2.15 1uz4A1 GLU 176 HB3 -0.03 0.03 0.04 -0.04 1.99 1.99 1uz4A1 GLU 176 HG2 -0.03 0.05 -0.01 -0.04 2.34 2.31 1uz4A1 GLU 176 HG3 -0.02 0.04 0.06 -0.04 2.34 2.38 1uz4A1 LYS 177 H -0.03 0.11 -0.06 -0.55 8.42 7.89 1uz4A1 LYS 177 HA -0.06 0.11 0.44 -0.75 4.32 4.05 1uz4A1 LYS 177 HB2 -0.02 0.05 0.09 -0.04 1.87 1.95 1uz4A1 LYS 177 HB3 0.00 -0.03 0.07 -0.04 1.79 1.79 1uz4A1 LYS 177 HG2 0.01 0.07 -0.03 -0.04 1.46 1.47 1uz4A1 LYS 177 HG3 -0.11 -0.02 -0.30 -0.04 1.46 0.99 1uz4A1 LYS 177 HD2 -0.17 -0.05 0.05 -0.04 1.69 1.47 1uz4A1 LYS 177 HD3 -0.07 0.03 0.02 -0.04 1.68 1.62 1uz4A1 LYS 177 HE2 -0.02 0.06 -0.02 -0.04 2.99 2.97 1uz4A1 LYS 177 HE3 -0.30 -0.03 -0.05 -0.04 2.99 2.57 1uz4A1 ALA 178 H -0.03 0.08 -0.27 -0.55 8.40 7.63 1uz4A1 ALA 178 HA 0.20 0.01 0.41 -0.75 4.34 4.20 1uz4A1 ALA 178 HB3 -0.07 0.06 0.10 -0.04 1.41 1.46 1uz4A1 GLN 179 H -0.14 0.54 -0.18 -0.55 8.47 8.15 1uz4A1 GLN 179 HA -0.04 0.00 0.39 -0.75 4.36 3.96 1uz4A1 GLN 179 HB2 -0.06 0.06 0.11 -0.04 2.15 2.23 1uz4A1 GLN 179 HB3 0.00 -0.03 0.02 -0.04 2.02 1.97 1uz4A1 GLN 179 HG2 -0.20 0.22 0.02 -0.04 2.40 2.40 1uz4A1 GLN 179 HG3 0.02 0.03 -0.00 -0.04 2.39 2.39 1uz4A1 GLN 179 HE21 -1.71 -0.12 -0.19 -0.04 6.97 4.91 1uz4A1 GLN 179 HE22 -1.02 0.40 -0.07 -0.04 7.69 6.96 1uz4A1 GLN 180 H -0.05 0.58 -0.06 -0.55 8.47 8.39 1uz4A1 GLN 180 HA -0.07 0.04 0.51 -0.75 4.36 4.08 1uz4A1 GLN 180 HB2 -0.08 0.11 0.20 -0.04 2.15 2.34 1uz4A1 GLN 180 HB3 -0.07 -0.04 0.00 -0.04 2.02 1.87 1uz4A1 GLN 180 HG2 -0.06 -0.02 0.04 -0.04 2.40 2.32 1uz4A1 GLN 180 HG3 -0.06 0.11 0.08 -0.04 2.39 2.48 1uz4A1 GLN 180 HE21 -0.03 -0.03 -0.06 -0.04 6.97 6.81 1uz4A1 GLN 180 HE22 -0.04 0.02 -0.04 -0.04 7.69 7.59 1uz4A1 GLU 181 H -0.02 0.52 -0.21 -0.55 8.60 8.34 1uz4A1 GLU 181 HA -0.02 0.03 0.41 -0.75 4.29 3.96 1uz4A1 GLU 181 HB2 0.05 0.11 0.16 -0.04 2.09 2.36 1uz4A1 GLU 181 HB3 -0.04 -0.11 0.03 -0.04 1.99 1.82 1uz4A1 GLU 181 HG2 -0.49 0.21 0.05 -0.04 2.34 2.07 1uz4A1 GLU 181 HG3 -2.24 -0.06 -0.01 -0.04 2.34 -0.02 1uz4A1 TYR 182 H 0.37 0.65 -0.01 -0.55 8.29 8.75 1uz4A1 TYR 182 HA 0.44 -0.02 0.52 -0.75 4.56 4.74 1uz4A1 TYR 182 HB2 0.26 -0.01 0.10 -0.04 3.06 3.37 1uz4A1 TYR 182 HB3 0.11 0.12 0.18 -0.04 2.98 3.36 1uz4A1 TYR 182 HD2 0.29 0.00 0.00 -0.04 7.15 7.40 1uz4A1 TYR 182 HE2 0.24 0.03 -0.07 -0.04 6.85 7.01 1uz4A1 ARG 183 H 0.04 0.70 -0.10 -0.55 8.46 8.54 1uz4A1 ARG 183 HA -0.29 0.02 0.40 -0.75 4.34 3.71 1uz4A1 ARG 183 HB2 -0.22 0.11 0.18 -0.04 1.90 1.93 1uz4A1 ARG 183 HB3 -0.59 -0.02 0.01 -0.04 1.80 1.16 1uz4A1 ARG 183 HG2 -0.70 -0.04 0.03 -0.04 1.67 0.92 1uz4A1 ARG 183 HG3 -0.21 0.13 0.06 -0.04 1.67 1.60 1uz4A1 ARG 183 HD2 -1.27 0.00 -0.01 -0.04 3.22 1.90 1uz4A1 ARG 183 HD3 -0.50 -0.01 -0.03 -0.04 3.22 2.64 1uz4A1 LYS 184 H 0.00 0.51 -0.19 -0.55 8.42 8.20 1uz4A1 LYS 184 HA 0.01 0.04 0.52 -0.75 4.32 4.14 1uz4A1 LYS 184 HB2 0.08 0.08 0.20 -0.04 1.87 2.18 1uz4A1 LYS 184 HB3 0.11 -0.07 0.04 -0.04 1.79 1.82 1uz4A1 LYS 184 HG2 0.01 -0.03 0.05 -0.04 1.46 1.45 1uz4A1 LYS 184 HG3 -0.01 0.21 0.09 -0.04 1.46 1.70 1uz4A1 LYS 184 HD2 0.01 -0.05 -0.02 -0.04 1.69 1.58 1uz4A1 LYS 184 HD3 0.03 -0.02 -0.00 -0.04 1.68 1.64 1uz4A1 LYS 184 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 1uz4A1 LYS 184 HE3 -0.03 0.03 -0.05 -0.04 2.99 2.89 1uz4A1 THR 185 H 0.11 0.48 -0.21 -0.55 8.28 8.11 1uz4A1 THR 185 HA 0.02 -0.02 0.44 -0.75 4.39 4.08 1uz4A1 THR 185 HB 0.21 0.18 0.23 -0.04 4.32 4.90 1uz4A1 THR 185 HG23 0.23 -0.02 -0.08 -0.04 1.22 1.30 1uz4A1 LEU 186 H -0.26 0.65 0.00 -0.55 8.37 8.21 1uz4A1 LEU 186 HA -0.91 -0.02 0.43 -0.75 4.35 3.10 1uz4A1 LEU 186 HB2 -0.21 0.13 0.17 -0.04 1.64 1.69 1uz4A1 LEU 186 HB3 -0.47 -0.00 -0.01 -0.04 1.64 1.11 1uz4A1 LEU 186 HG -0.86 0.12 0.06 -0.04 1.64 0.92 1uz4A1 LEU 186 HD13 -0.43 -0.01 -0.04 -0.04 0.93 0.41 1uz4A1 LEU 186 HD23 -1.03 -0.02 -0.00 -0.04 0.89 -0.20 1uz4A1 GLU 187 H -0.10 0.63 -0.18 -0.55 8.60 8.40 1uz4A1 GLU 187 HA -0.19 0.04 0.39 -0.75 4.29 3.77 1uz4A1 GLU 187 HB2 0.06 0.09 0.11 -0.04 2.09 2.31 1uz4A1 GLU 187 HB3 -0.02 0.04 0.10 -0.04 1.99 2.07 1uz4A1 GLU 187 HG2 -0.09 -0.01 0.06 -0.04 2.34 2.27 1uz4A1 GLU 187 HG3 0.01 -0.01 0.00 -0.04 2.34 2.30 1uz4A1 LYS 188 H -0.13 0.55 -0.15 -0.55 8.42 8.14 1uz4A1 LYS 188 HA -0.13 0.00 0.32 -0.75 4.32 3.76 1uz4A1 LYS 188 HB2 -0.20 -0.01 0.11 -0.04 1.87 1.73 1uz4A1 LYS 188 HB3 -0.34 0.10 0.18 -0.04 1.79 1.70 1uz4A1 LYS 188 HG2 -1.19 -0.10 -0.07 -0.04 1.46 0.06 1uz4A1 LYS 188 HG3 -0.36 0.01 -0.40 -0.04 1.46 0.67 1uz4A1 LYS 188 HD2 -0.14 0.04 0.05 -0.04 1.69 1.60 1uz4A1 LYS 188 HD3 -0.10 0.00 0.01 -0.04 1.68 1.55 1uz4A1 LYS 188 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.93 1uz4A1 LYS 188 HE3 -0.17 -0.04 -0.06 -0.04 2.99 2.68 1uz4A1 ILE 189 H -0.21 0.49 -0.17 -0.55 8.25 7.81 1uz4A1 ILE 189 HA -0.14 0.04 0.65 -0.75 4.18 3.97 1uz4A1 ILE 189 HB 0.06 0.09 0.10 -0.04 1.89 2.10 1uz4A1 ILE 189 HG12 -0.08 0.11 0.01 -0.04 1.49 1.49 1uz4A1 ILE 189 HG13 0.27 -0.06 -0.07 -0.04 1.21 1.31 1uz4A1 ILE 189 HG23 0.38 -0.02 -0.13 -0.04 0.93 1.11 1uz4A1 ILE 189 HD13 -0.00 -0.02 -0.06 -0.04 0.88 0.76 1uz4A1 ILE 190 H -0.34 0.69 0.07 -0.55 8.25 8.12 1uz4A1 ILE 190 HA -0.31 -0.00 0.39 -0.75 4.18 3.51 1uz4A1 ILE 190 HB -0.41 0.09 0.12 -0.04 1.89 1.65 1uz4A1 ILE 190 HG12 -2.30 -0.02 0.01 -0.04 1.49 -0.86 1uz4A1 ILE 190 HG13 -1.06 -0.09 0.07 -0.04 1.21 0.09 1uz4A1 ILE 190 HG23 -0.18 -0.00 -0.13 -0.04 0.93 0.57 1uz4A1 ILE 190 HD13 -0.77 -0.01 -0.04 -0.04 0.88 0.02 1uz4A1 THR 191 H -0.15 0.54 -0.21 -0.55 8.28 7.91 1uz4A1 THR 191 HA -0.01 0.09 0.63 -0.75 4.39 4.35 1uz4A1 THR 191 HB -0.04 -0.09 0.16 -0.04 4.32 4.31 1uz4A1 THR 191 HG23 -0.07 0.00 0.04 -0.04 1.22 1.15 1uz4A1 ARG 192 H -0.23 0.36 -0.62 -0.55 8.46 7.42 1uz4A1 ARG 192 HA -0.19 -0.01 0.36 -0.75 4.34 3.75 1uz4A1 ARG 192 HB2 -0.45 0.13 0.22 -0.04 1.90 1.76 1uz4A1 ARG 192 HB3 -1.41 -0.03 0.04 -0.04 1.80 0.36 1uz4A1 ARG 192 HG2 -0.42 0.01 -0.27 -0.04 1.67 0.95 1uz4A1 ARG 192 HG3 -0.23 -0.04 0.09 -0.04 1.67 1.45 1uz4A1 ARG 192 HD2 -0.19 -0.00 0.02 -0.04 3.22 3.01 1uz4A1 ARG 192 HD3 -0.42 -0.01 -0.02 -0.04 3.22 2.73 1uz4A1 VAL 193 H -0.09 0.13 0.18 -0.55 8.24 7.91 1uz4A1 VAL 193 HA 0.07 0.14 0.73 -0.75 4.13 4.32 1uz4A1 VAL 193 HB 0.01 -0.06 0.03 -0.04 2.12 2.06 1uz4A1 VAL 193 HG13 0.05 0.03 -0.39 -0.04 0.97 0.62 1uz4A1 VAL 193 HG23 0.02 0.02 -0.04 -0.04 0.95 0.91 1uz4A1 ASN 194 H 0.21 0.82 0.04 -0.55 8.53 9.05 1uz4A1 ASN 194 HA 0.25 0.01 0.47 -0.75 4.76 4.74 1uz4A1 ASN 194 HB2 0.26 0.22 0.11 -0.04 2.88 3.43 1uz4A1 ASN 194 HB3 0.13 -0.24 0.17 -0.04 2.79 2.81 1uz4A1 ASN 194 HD21 0.03 0.31 0.14 -0.04 7.03 7.46 1uz4A1 ASN 194 HD22 0.02 0.09 0.01 -0.04 7.74 7.83 1uz4A1 SER 195 H 0.10 0.14 0.23 -0.55 8.46 8.38 1uz4A1 SER 195 HA 0.05 0.13 0.19 -0.75 4.49 4.11 1uz4A1 SER 195 HB2 0.05 0.02 0.11 -0.04 3.95 4.08 1uz4A1 SER 195 HB3 0.05 0.05 0.14 -0.04 3.93 4.13 1uz4A1 ILE 196 H 0.09 -0.08 -0.36 -0.55 8.25 7.34 1uz4A1 ILE 196 HA 0.06 0.20 0.67 -0.75 4.18 4.35 1uz4A1 ILE 196 HB 0.07 -0.06 0.03 -0.04 1.89 1.90 1uz4A1 ILE 196 HG12 0.11 0.06 -0.05 -0.04 1.49 1.57 1uz4A1 ILE 196 HG13 0.10 -0.15 -0.09 -0.04 1.21 1.03 1uz4A1 ILE 196 HG23 0.06 0.02 -0.12 -0.04 0.93 0.85 1uz4A1 ILE 196 HD13 0.21 0.02 -0.13 -0.04 0.88 0.94 1uz4A1 ASN 197 H 0.06 -0.03 -0.02 -0.55 8.53 7.99 1uz4A1 ASN 197 HA 0.03 0.27 0.81 -0.75 4.76 5.12 1uz4A1 ASN 197 HB2 0.02 0.07 0.11 -0.04 2.88 3.04 1uz4A1 ASN 197 HB3 0.01 0.01 -0.00 -0.04 2.79 2.77 1uz4A1 ASN 197 HD21 -0.01 0.03 -0.06 -0.04 7.03 6.95 1uz4A1 ASN 197 HD22 -0.01 0.05 -0.01 -0.04 7.74 7.73 1uz4A1 GLY 198 H 0.06 0.33 -0.15 -0.55 8.43 8.12 1uz4A1 GLY 198 HA2 0.05 0.08 0.19 -0.51 4.01 3.83 1uz4A1 GLY 198 HA3 0.04 0.09 0.34 -0.51 4.01 3.97 1uz4A1 LYS 199 H 0.08 -0.06 -0.27 -0.55 8.42 7.62 1uz4A1 LYS 199 HA 0.08 0.14 0.42 -0.75 4.32 4.21 1uz4A1 LYS 199 HB2 0.08 -0.15 0.01 -0.04 1.87 1.77 1uz4A1 LYS 199 HB3 0.10 0.18 -0.18 -0.04 1.79 1.84 1uz4A1 LYS 199 HG2 0.05 0.08 -0.05 -0.04 1.46 1.50 1uz4A1 LYS 199 HG3 0.04 -0.02 -0.09 -0.04 1.46 1.35 1uz4A1 LYS 199 HD2 0.01 -0.09 -0.07 -0.04 1.69 1.50 1uz4A1 LYS 199 HD3 0.04 0.09 -0.09 -0.04 1.68 1.67 1uz4A1 LYS 199 HE2 0.01 0.07 -0.01 -0.04 2.99 3.03 1uz4A1 LYS 199 HE3 0.01 -0.01 -0.02 -0.04 2.99 2.92 1uz4A1 ALA 200 H 0.11 0.18 0.20 -0.55 8.40 8.33 1uz4A1 ALA 200 HA 0.15 0.15 0.70 -0.75 4.34 4.59 1uz4A1 ALA 200 HB3 0.12 0.02 0.12 -0.04 1.41 1.63 1uz4A1 TYR 201 H 0.34 0.75 0.27 -0.55 8.29 9.09 1uz4A1 TYR 201 HA 0.16 -0.03 0.34 -0.75 4.56 4.27 1uz4A1 TYR 201 HB2 0.23 0.27 0.19 -0.04 3.06 3.72 1uz4A1 TYR 201 HB3 0.50 -0.03 0.05 -0.04 2.98 3.46 1uz4A1 TYR 201 HD2 0.28 0.01 -0.09 -0.04 7.15 7.31 1uz4A1 TYR 201 HE2 0.11 -0.11 -0.10 -0.04 6.85 6.70 1uz4A1 VAL 202 H 0.34 0.16 -0.12 -0.55 8.24 8.07 1uz4A1 VAL 202 HA 0.64 0.09 0.38 -0.75 4.13 4.48 1uz4A1 VAL 202 HB 0.31 -0.06 0.13 -0.04 2.12 2.46 1uz4A1 VAL 202 HG13 0.25 0.08 0.06 -0.04 0.97 1.33 1uz4A1 VAL 202 HG23 0.17 -0.01 -0.07 -0.04 0.95 1.00 1uz4A1 ASP 203 H 0.26 0.27 -0.54 -0.55 8.40 7.84 1uz4A1 ASP 203 HA 0.30 0.19 0.78 -0.75 4.63 5.15 1uz4A1 ASP 203 HB2 0.14 0.01 0.07 -0.04 2.71 2.88 1uz4A1 ASP 203 HB3 0.12 0.01 0.15 -0.04 2.70 2.94 1uz4A1 ASP 204 H 0.24 0.49 -0.27 -0.55 8.40 8.31 1uz4A1 ASP 204 HA 0.04 0.08 0.52 -0.75 4.63 4.52 1uz4A1 ASP 204 HB2 0.03 0.05 -0.04 -0.04 2.71 2.71 1uz4A1 ASP 204 HB3 -0.09 0.07 0.19 -0.04 2.70 2.83 1uz4A1 ALA 205 H -0.00 0.25 0.14 -0.55 8.40 8.25 1uz4A1 ALA 205 HA -0.74 0.18 0.31 -0.75 4.34 3.34 1uz4A1 ALA 205 HB3 0.06 0.05 -0.13 -0.04 1.41 1.35 1uz4A1 THR 206 H -0.15 -0.03 -0.42 -0.55 8.28 7.13 1uz4A1 THR 206 HA -0.16 0.16 0.42 -0.75 4.39 4.06 1uz4A1 THR 206 HB -0.19 -0.06 -0.03 -0.04 4.32 4.00 1uz4A1 THR 206 HG23 -0.15 0.06 -0.02 -0.04 1.22 1.06 1uz4A1 ILE 207 H -0.32 0.32 -0.29 -0.55 8.25 7.42 1uz4A1 ILE 207 HA -0.40 -0.01 0.72 -0.75 4.18 3.74 1uz4A1 ILE 207 HB -0.93 0.23 0.12 -0.04 1.89 1.28 1uz4A1 ILE 207 HG12 -0.51 -0.07 -0.06 -0.04 1.49 0.82 1uz4A1 ILE 207 HG13 -0.43 -0.12 -0.05 -0.04 1.21 0.57 1uz4A1 ILE 207 HG23 -1.40 -0.02 -0.22 -0.04 0.93 -0.75 1uz4A1 ILE 207 HD13 -0.56 0.03 0.01 -0.04 0.88 0.32 1uz4A1 MET 208 H -0.29 0.40 0.34 -0.55 8.47 8.37 1uz4A1 MET 208 HA -0.24 0.14 0.68 -0.75 4.52 4.34 1uz4A1 MET 208 HB2 -0.20 0.01 0.01 -0.04 2.15 1.93 1uz4A1 MET 208 HB3 -0.18 -0.05 -0.08 -0.04 2.03 1.69 1uz4A1 MET 208 HG2 -0.21 -0.02 -0.43 -0.04 2.63 1.93 1uz4A1 MET 208 HG3 -0.30 0.04 -0.04 -0.04 2.56 2.22 1uz4A1 MET 208 HE3 -1.04 -0.01 -0.22 -0.04 2.10 0.79 1uz4A1 SER 209 H -0.28 0.28 0.20 -0.55 8.46 8.11 1uz4A1 SER 209 HA -0.10 0.36 0.74 -0.75 4.49 4.73 1uz4A1 SER 209 HB2 0.19 0.06 -0.45 -0.04 3.95 3.71 1uz4A1 SER 209 HB3 0.15 -0.19 -0.18 -0.04 3.93 3.67 1uz4A1 TRP 210 H 0.08 0.68 0.25 -0.55 7.97 8.43 1uz4A1 TRP 210 HA 0.09 0.11 0.83 -0.75 4.62 4.90 1uz4A1 TRP 210 HB2 0.17 0.05 0.14 -0.04 3.23 3.55 1uz4A1 TRP 210 HB3 0.42 -0.05 0.06 -0.04 3.23 3.63 1uz4A1 TRP 210 HD1 0.14 0.14 -0.08 -0.04 7.22 7.37 1uz4A1 TRP 210 HE1 0.20 0.01 -0.06 -0.04 10.20 10.31 1uz4A1 TRP 210 HE3 0.11 0.00 0.06 -0.04 7.59 7.72 1uz4A1 TRP 210 HZ2 0.11 0.05 -0.14 -0.04 7.44 7.42 1uz4A1 TRP 210 HZ3 0.15 -0.08 -0.08 -0.04 7.13 7.07 1uz4A1 TRP 210 HH2 0.29 -0.00 -0.08 -0.04 7.19 7.36 1uz4A1 GLN 211 H 0.38 0.59 0.26 -0.55 8.47 9.15 1uz4A1 GLN 211 HA 0.28 0.34 0.86 -0.75 4.36 5.08 1uz4A1 GLN 211 HB2 0.27 0.02 -0.39 -0.04 2.15 2.01 1uz4A1 GLN 211 HB3 0.35 -0.06 -0.29 -0.04 2.02 1.97 1uz4A1 GLN 211 HG2 0.30 0.01 -0.40 -0.04 2.40 2.26 1uz4A1 GLN 211 HG3 0.23 -0.06 -0.56 -0.04 2.39 1.96 1uz4A1 GLN 211 HE21 0.29 0.03 -0.17 -0.04 6.97 7.08 1uz4A1 GLN 211 HE22 0.20 -0.00 -0.23 -0.04 7.69 7.62 1uz4A1 LEU 212 H 0.25 0.50 0.24 -0.55 8.37 8.82 1uz4A1 LEU 212 HA 0.42 0.06 0.24 -0.75 4.35 4.31 1uz4A1 LEU 212 HB2 0.25 0.12 0.20 -0.04 1.64 2.17 1uz4A1 LEU 212 HB3 0.20 -0.06 -0.01 -0.04 1.64 1.73 1uz4A1 LEU 212 HG 0.06 0.17 0.10 -0.04 1.64 1.93 1uz4A1 LEU 212 HD13 -0.46 0.01 0.02 -0.04 0.93 0.45 1uz4A1 LEU 212 HD23 0.01 -0.01 -0.16 -0.04 0.89 0.70 1uz4A1 ALA 213 H 0.35 0.46 -0.10 -0.55 8.40 8.56 1uz4A1 ALA 213 HA 0.38 -0.09 0.43 -0.75 4.34 4.31 1uz4A1 ALA 213 HB3 0.30 0.02 -0.33 -0.04 1.41 1.36 1uz4A1 ASN 214 H 0.18 0.48 0.12 -0.55 8.53 8.76 1uz4A1 ASN 214 HA 0.01 0.19 0.89 -0.75 4.76 5.09 1uz4A1 ASN 214 HB2 -0.32 0.07 0.14 -0.04 2.88 2.73 1uz4A1 ASN 214 HB3 0.05 -0.19 0.29 -0.04 2.79 2.91 1uz4A1 ASN 214 HD21 0.51 0.02 -0.08 -0.04 7.03 7.43 1uz4A1 ASN 214 HD22 0.40 -0.16 -0.02 -0.04 7.74 7.92 1uz4A1 GLU 215 H 0.19 0.54 0.09 -0.55 8.60 8.87 1uz4A1 GLU 215 HA 0.10 0.11 0.24 -0.75 4.29 3.98 1uz4A1 GLU 215 HB2 0.38 -0.03 -0.24 -0.04 2.09 2.16 1uz4A1 GLU 215 HB3 0.33 -0.02 0.06 -0.04 1.99 2.32 1uz4A1 GLU 215 HG2 0.28 0.13 -0.04 -0.04 2.34 2.67 1uz4A1 GLU 215 HG3 0.45 -0.07 -0.17 -0.04 2.34 2.51 1uz4A1 PRO 216 HA -0.04 -0.03 0.37 -0.51 4.44 4.23 1uz4A1 PRO 216 HB2 0.41 0.09 -0.14 -0.04 2.28 2.60 1uz4A1 PRO 216 HB3 0.29 -0.01 -0.11 -0.04 2.02 2.14 1uz4A1 PRO 216 HG2 0.34 -0.02 -0.10 -0.04 2.03 2.21 1uz4A1 PRO 216 HG3 0.41 0.18 -0.11 -0.04 2.03 2.46 1uz4A1 PRO 216 HD2 0.19 0.01 -0.54 -0.04 3.68 3.30 1uz4A1 PRO 216 HD3 0.22 0.10 -0.54 -0.04 3.65 3.38 1uz4A1 ARG 217 H -1.00 0.13 0.24 -0.55 8.46 7.28 1uz4A1 ARG 217 HA -0.40 0.47 0.97 -0.75 4.34 4.63 1uz4A1 ARG 217 HB2 -1.50 -0.07 0.09 -0.04 1.90 0.38 1uz4A1 ARG 217 HB3 -0.44 -0.02 0.10 -0.04 1.80 1.39 1uz4A1 ARG 217 HG2 -0.25 -0.02 0.03 -0.04 1.67 1.39 1uz4A1 ARG 217 HG3 -0.68 0.15 -0.15 -0.04 1.67 0.96 1uz4A1 ARG 217 HD2 -0.30 -0.06 0.00 -0.04 3.22 2.83 1uz4A1 ARG 217 HD3 -0.12 0.05 0.03 -0.04 3.22 3.15 1uz4A1 PRO 218 HA -0.14 0.13 0.48 -0.51 4.44 4.40 1uz4A1 PRO 218 HB2 -0.19 -0.01 -0.17 -0.04 2.28 1.87 1uz4A1 PRO 218 HB3 -0.26 0.05 -0.00 -0.04 2.02 1.77 1uz4A1 PRO 218 HG2 -0.36 -0.00 -0.13 -0.04 2.03 1.49 1uz4A1 PRO 218 HG3 -1.31 0.08 0.01 -0.04 2.03 0.77 1uz4A1 PRO 218 HD2 -0.35 -0.01 0.05 -0.04 3.68 3.33 1uz4A1 PRO 218 HD3 -0.69 0.50 0.30 -0.04 3.65 3.72 1uz4A1 GLY 219 H -0.12 0.23 -0.21 -0.55 8.43 7.79 1uz4A1 GLY 219 HA2 0.14 0.14 0.18 -0.51 4.01 3.96 1uz4A1 GLY 219 HA3 0.04 0.04 0.50 -0.51 4.01 4.09 1uz4A1 ASN 220 H 0.06 0.10 -0.00 -0.55 8.53 8.13 1uz4A1 ASN 220 HA 0.13 0.21 0.59 -0.75 4.76 4.93 1uz4A1 ASN 220 HB2 0.13 -0.08 0.22 -0.04 2.88 3.10 1uz4A1 ASN 220 HB3 0.13 0.06 0.07 -0.04 2.79 3.00 1uz4A1 ASN 220 HD21 0.04 0.05 -0.05 -0.04 7.03 7.04 1uz4A1 ASN 220 HD22 0.07 0.30 0.01 -0.04 7.74 8.09 1uz4A1 SER 221 H 0.08 0.13 0.13 -0.55 8.46 8.25 1uz4A1 SER 221 HA 0.02 0.17 0.45 -0.75 4.49 4.37 1uz4A1 SER 221 HB2 0.03 0.09 0.11 -0.04 3.95 4.14 1uz4A1 SER 221 HB3 0.05 -0.02 0.12 -0.04 3.93 4.04 1uz4A1 GLN 222 H 0.04 -0.06 -0.41 -0.55 8.47 7.49 1uz4A1 GLN 222 HA 0.02 0.29 0.78 -0.75 4.36 4.69 1uz4A1 GLN 222 HB2 0.03 -0.07 0.01 -0.04 2.15 2.07 1uz4A1 GLN 222 HB3 0.02 0.04 0.13 -0.04 2.02 2.17 1uz4A1 GLN 222 HG2 0.02 0.11 -0.07 -0.04 2.40 2.42 1uz4A1 GLN 222 HG3 0.03 -0.12 -0.15 -0.04 2.39 2.11 1uz4A1 GLN 222 HE21 0.02 0.01 -0.01 -0.04 6.97 6.95 1uz4A1 GLN 222 HE22 0.02 0.04 -0.01 -0.04 7.69 7.70 1uz4A1 THR 223 H 0.01 0.33 -0.45 -0.55 8.28 7.63 1uz4A1 THR 223 HA 0.01 -0.05 0.40 -0.75 4.39 4.00 1uz4A1 THR 223 HB -0.01 0.06 -0.06 -0.04 4.32 4.26 1uz4A1 THR 223 HG23 -0.02 0.03 -0.27 -0.04 1.22 0.92 1uz4A1 THR 224 H 0.01 0.05 0.17 -0.55 8.28 7.95 1uz4A1 THR 224 HA 0.01 0.25 0.61 -0.75 4.39 4.50 1uz4A1 THR 224 HB 0.01 -0.05 0.16 -0.04 4.32 4.40 1uz4A1 THR 224 HG23 0.01 0.05 0.06 -0.04 1.22 1.30 1uz4A1 ALA 225 H 0.01 0.22 0.16 -0.55 8.40 8.24 1uz4A1 ALA 225 HA 0.01 0.12 0.43 -0.75 4.34 4.14 1uz4A1 ALA 225 HB3 0.01 0.04 0.10 -0.04 1.41 1.52 1uz4A1 GLU 226 H 0.01 0.09 -0.12 -0.55 8.60 8.03 1uz4A1 GLU 226 HA 0.01 0.12 0.44 -0.75 4.29 4.11 1uz4A1 GLU 226 HB2 0.01 0.04 0.09 -0.04 2.09 2.18 1uz4A1 GLU 226 HB3 0.01 -0.05 0.05 -0.04 1.99 1.96 1uz4A1 GLU 226 HG2 0.01 0.00 -0.20 -0.04 2.34 2.11 1uz4A1 GLU 226 HG3 0.01 0.04 0.03 -0.04 2.34 2.37 1uz4A1 GLU 227 H 0.01 0.02 -0.27 -0.55 8.60 7.81 1uz4A1 GLU 227 HA 0.04 0.08 0.49 -0.75 4.29 4.15 1uz4A1 GLU 227 HB2 0.02 -0.07 0.13 -0.04 2.09 2.13 1uz4A1 GLU 227 HB3 0.03 0.18 0.03 -0.04 1.99 2.19 1uz4A1 GLU 227 HG2 0.04 0.10 0.05 -0.04 2.34 2.49 1uz4A1 GLU 227 HG3 0.02 -0.06 0.01 -0.04 2.34 2.27 1uz4A1 LYS 228 H 0.01 0.50 -0.19 -0.55 8.42 8.18 1uz4A1 LYS 228 HA 0.01 0.02 0.48 -0.75 4.32 4.06 1uz4A1 LYS 228 HB2 0.01 0.13 0.13 -0.04 1.87 2.10 1uz4A1 LYS 228 HB3 0.02 -0.04 -0.01 -0.04 1.79 1.72 1uz4A1 LYS 228 HG2 -0.03 -0.02 -0.07 -0.04 1.46 1.30 1uz4A1 LYS 228 HG3 -0.01 0.07 -0.14 -0.04 1.46 1.33 1uz4A1 LYS 228 HD2 0.00 -0.06 -0.13 -0.04 1.69 1.45 1uz4A1 LYS 228 HD3 0.00 -0.04 -0.05 -0.04 1.68 1.55 1uz4A1 LYS 228 HE2 -0.02 0.03 -0.07 -0.04 2.99 2.89 1uz4A1 LYS 228 HE3 -0.01 0.08 -0.17 -0.04 2.99 2.85 1uz4A1 GLN 229 H 0.02 0.46 -0.16 -0.55 8.47 8.24 1uz4A1 GLN 229 HA -0.01 0.03 0.47 -0.75 4.36 4.10 1uz4A1 GLN 229 HB2 0.00 0.02 0.12 -0.04 2.15 2.24 1uz4A1 GLN 229 HB3 0.00 0.09 0.12 -0.04 2.02 2.19 1uz4A1 GLN 229 HG2 -0.01 -0.01 -0.01 -0.04 2.40 2.33 1uz4A1 GLN 229 HG3 -0.02 -0.01 -0.10 -0.04 2.39 2.23 1uz4A1 GLN 229 HE21 -0.05 0.05 -0.02 -0.04 6.97 6.90 1uz4A1 GLN 229 HE22 -0.06 -0.02 0.00 -0.04 7.69 7.58 1uz4A1 ILE 230 H 0.03 0.51 -0.09 -0.55 8.25 8.15 1uz4A1 ILE 230 HA 0.02 0.03 0.43 -0.75 4.18 3.90 1uz4A1 ILE 230 HB 0.06 0.08 0.18 -0.04 1.89 2.16 1uz4A1 ILE 230 HG12 0.03 -0.00 0.01 -0.04 1.49 1.48 1uz4A1 ILE 230 HG13 0.02 0.09 0.06 -0.04 1.21 1.34 1uz4A1 ILE 230 HG23 0.08 -0.00 -0.20 -0.04 0.93 0.76 1uz4A1 ILE 230 HD13 0.03 -0.04 -0.07 -0.04 0.88 0.76 1uz4A1 TYR 231 H 0.10 0.52 -0.19 -0.55 8.29 8.16 1uz4A1 TYR 231 HA -0.40 0.01 0.50 -0.75 4.56 3.92 1uz4A1 TYR 231 HB2 -0.18 0.03 0.12 -0.04 3.06 2.99 1uz4A1 TYR 231 HB3 -0.09 0.13 0.19 -0.04 2.98 3.17 1uz4A1 TYR 231 HD2 -0.31 0.05 -0.20 -0.04 7.15 6.65 1uz4A1 TYR 231 HE2 0.00 -0.05 -0.37 -0.04 6.85 6.39 1uz4A1 ILE 232 H 0.06 0.59 -0.02 -0.55 8.25 8.33 1uz4A1 ILE 232 HA -0.28 -0.00 0.51 -0.75 4.18 3.66 1uz4A1 ILE 232 HB -0.11 0.07 0.16 -0.04 1.89 1.96 1uz4A1 ILE 232 HG12 -0.01 -0.00 0.01 -0.04 1.49 1.45 1uz4A1 ILE 232 HG13 0.11 0.05 0.10 -0.04 1.21 1.43 1uz4A1 ILE 232 HG23 -0.38 0.01 -0.25 -0.04 0.93 0.27 1uz4A1 ILE 232 HD13 0.01 -0.04 -0.08 -0.04 0.88 0.73 1uz4A1 ASP 233 H -0.13 0.66 -0.15 -0.55 8.40 8.23 1uz4A1 ASP 233 HA -0.25 0.02 0.41 -0.75 4.63 4.06 1uz4A1 ASP 233 HB2 -0.03 0.10 0.14 -0.04 2.71 2.89 1uz4A1 ASP 233 HB3 -0.03 -0.06 0.02 -0.04 2.70 2.60 1uz4A1 TRP 234 H 0.01 0.49 -0.23 -0.55 7.97 7.70 1uz4A1 TRP 234 HA -0.11 0.00 0.50 -0.75 4.62 4.27 1uz4A1 TRP 234 HB2 -0.20 0.06 0.13 -0.04 3.23 3.18 1uz4A1 TRP 234 HB3 -0.52 0.10 0.18 -0.04 3.23 2.95 1uz4A1 TRP 234 HD1 -0.04 0.06 0.03 -0.04 7.22 7.23 1uz4A1 TRP 234 HE1 -0.07 -0.02 -0.06 -0.04 10.20 10.02 1uz4A1 TRP 234 HE3 -0.58 0.11 -0.12 -0.04 7.59 6.96 1uz4A1 TRP 234 HZ2 -0.21 0.01 -0.11 -0.04 7.44 7.09 1uz4A1 TRP 234 HZ3 -0.05 -0.02 -0.12 -0.04 7.13 6.90 1uz4A1 TRP 234 HH2 0.13 -0.04 -0.22 -0.04 7.19 7.02 1uz4A1 VAL 235 H -0.22 0.61 -0.04 -0.55 8.24 8.04 1uz4A1 VAL 235 HA -0.66 -0.06 0.40 -0.75 4.13 3.06 1uz4A1 VAL 235 HB -0.32 0.17 0.21 -0.04 2.12 2.14 1uz4A1 VAL 235 HG13 -0.32 -0.02 -0.11 -0.04 0.97 0.48 1uz4A1 VAL 235 HG23 -0.45 0.01 0.01 -0.04 0.95 0.48 1uz4A1 HIS 236 H -0.16 0.54 -0.10 -0.55 8.41 8.14 1uz4A1 HIS 236 HA -0.15 0.03 0.43 -0.75 4.63 4.18 1uz4A1 HIS 236 HB2 -0.10 0.07 0.17 -0.04 3.26 3.36 1uz4A1 HIS 236 HB3 -0.09 -0.06 0.00 -0.04 3.20 3.01 1uz4A1 HIS 236 HD2 -0.19 0.06 0.10 -0.04 6.97 6.90 1uz4A1 HIS 236 HE1 -0.05 -0.05 -0.03 -0.04 7.75 7.58 1uz4A1 ALA 237 H -0.10 0.63 -0.13 -0.55 8.40 8.25 1uz4A1 ALA 237 HA -0.03 0.02 0.33 -0.75 4.34 3.90 1uz4A1 ALA 237 HB3 -0.06 -0.00 0.11 -0.04 1.41 1.42 1uz4A1 ALA 238 H -0.41 0.67 -0.10 -0.55 8.40 8.01 1uz4A1 ALA 238 HA -0.11 0.00 0.46 -0.75 4.34 3.94 1uz4A1 ALA 238 HB3 -0.62 -0.00 0.07 -0.04 1.41 0.82 1uz4A1 ALA 239 H -0.20 0.59 -0.12 -0.55 8.40 8.12 1uz4A1 ALA 239 HA -0.04 0.01 0.46 -0.75 4.34 4.02 1uz4A1 ALA 239 HB3 -0.07 0.07 -0.05 -0.04 1.41 1.32 1uz4A1 ALA 240 H -0.06 0.50 -0.22 -0.55 8.40 8.08 1uz4A1 ALA 240 HA -0.03 0.05 0.40 -0.75 4.34 4.01 1uz4A1 ALA 240 HB3 -0.02 0.01 0.09 -0.04 1.41 1.44 1uz4A1 TYR 241 H 0.06 0.49 -0.22 -0.55 8.29 8.06 1uz4A1 TYR 241 HA -0.07 -0.01 0.38 -0.75 4.56 4.11 1uz4A1 TYR 241 HB2 -0.08 0.01 0.12 -0.04 3.06 3.07 1uz4A1 TYR 241 HB3 -0.12 0.09 0.18 -0.04 2.98 3.09 1uz4A1 TYR 241 HD2 -0.14 0.01 -0.03 -0.04 7.15 6.95 1uz4A1 TYR 241 HE2 -0.14 0.00 -0.01 -0.04 6.85 6.66 1uz4A1 ILE 242 H -0.05 0.51 -0.13 -0.55 8.25 8.03 1uz4A1 ILE 242 HA -0.36 -0.05 0.39 -0.75 4.18 3.40 1uz4A1 ILE 242 HB -0.02 0.17 0.15 -0.04 1.89 2.15 1uz4A1 ILE 242 HG12 -0.28 -0.08 0.01 -0.04 1.49 1.09 1uz4A1 ILE 242 HG13 -0.08 0.09 0.07 -0.04 1.21 1.25 1uz4A1 ILE 242 HG23 -0.03 0.00 -0.10 -0.04 0.93 0.77 1uz4A1 ILE 242 HD13 0.05 -0.03 -0.09 -0.04 0.88 0.77 1uz4A1 LYS 243 H -0.06 0.43 -0.29 -0.55 8.42 7.95 1uz4A1 LYS 243 HA -0.00 0.32 0.38 -0.75 4.32 4.25 1uz4A1 LYS 243 HB2 -0.04 0.05 0.12 -0.04 1.87 1.95 1uz4A1 LYS 243 HB3 -0.03 -0.07 0.05 -0.04 1.79 1.70 1uz4A1 LYS 243 HG2 0.01 0.18 0.10 -0.04 1.46 1.71 1uz4A1 LYS 243 HG3 -0.00 -0.11 0.03 -0.04 1.46 1.33 1uz4A1 LYS 243 HD2 0.02 0.01 0.05 -0.04 1.69 1.73 1uz4A1 LYS 243 HD3 0.09 0.06 -0.02 -0.04 1.68 1.77 1uz4A1 LYS 243 HE2 0.09 0.00 0.06 -0.04 2.99 3.10 1uz4A1 LYS 243 HE3 0.04 -0.06 0.04 -0.04 2.99 2.97 1uz4A1 THR 244 H -0.17 0.38 -0.33 -0.55 8.28 7.61 1uz4A1 THR 244 HA -0.09 0.04 0.55 -0.75 4.39 4.13 1uz4A1 THR 244 HB -0.09 -0.10 0.08 -0.04 4.32 4.16 1uz4A1 THR 244 HG23 -0.05 0.04 0.03 -0.04 1.22 1.20 1uz4A1 LEU 245 H -0.28 0.39 -0.27 -0.55 8.37 7.66 1uz4A1 LEU 245 HA -0.14 0.05 0.71 -0.75 4.35 4.21 1uz4A1 LEU 245 HB2 -0.30 0.16 0.11 -0.04 1.64 1.57 1uz4A1 LEU 245 HB3 -0.20 -0.09 0.02 -0.04 1.64 1.33 1uz4A1 LEU 245 HG -0.72 0.12 -0.02 -0.04 1.64 0.98 1uz4A1 LEU 245 HD13 -0.41 -0.03 -0.10 -0.04 0.93 0.34 1uz4A1 LEU 245 HD23 -0.20 -0.01 -0.04 -0.04 0.89 0.59 1uz4A1 ASP 246 H -0.04 0.40 -0.29 -0.55 8.40 7.92 1uz4A1 ASP 246 HA 0.13 0.01 0.78 -0.75 4.63 4.80 1uz4A1 ASP 246 HB2 0.22 0.02 -0.30 -0.04 2.71 2.62 1uz4A1 ASP 246 HB3 0.29 0.08 0.05 -0.04 2.70 3.08 1uz4A1 ALA 247 H -0.04 0.12 0.13 -0.55 8.40 8.06 1uz4A1 ALA 247 HA -0.11 0.22 0.47 -0.75 4.34 4.16 1uz4A1 ALA 247 HB3 -0.45 -0.01 0.09 -0.04 1.41 1.00 1uz4A1 HIS 248 H 0.10 -0.10 -0.26 -0.55 8.41 7.60 1uz4A1 HIS 248 HA 0.06 0.24 0.82 -0.75 4.63 4.99 1uz4A1 HIS 248 HB2 -0.03 0.03 0.06 -0.04 3.26 3.28 1uz4A1 HIS 248 HB3 -0.17 0.02 0.00 -0.04 3.20 3.02 1uz4A1 HIS 248 HD2 -0.04 0.05 -0.05 -0.04 6.97 6.88 1uz4A1 HIS 248 HE1 -0.04 -0.02 -0.01 -0.04 7.75 7.63 1uz4A1 HIS 249 H 0.37 -0.05 -0.02 -0.55 8.41 8.17 1uz4A1 HIS 249 HA 0.20 0.14 0.55 -0.75 4.63 4.76 1uz4A1 HIS 249 HB2 0.21 -0.08 -0.02 -0.04 3.26 3.34 1uz4A1 HIS 249 HB3 -0.28 0.04 -0.10 -0.04 3.20 2.82 1uz4A1 HIS 249 HD2 -0.53 0.16 -0.03 -0.04 6.97 6.52 1uz4A1 HIS 249 HE1 -0.04 0.12 0.04 -0.04 7.75 7.83 1uz4A1 LEU 250 H 0.15 0.30 0.26 -0.55 8.37 8.54 1uz4A1 LEU 250 HA 0.21 0.11 0.46 -0.75 4.35 4.37 1uz4A1 LEU 250 HB2 0.21 0.01 0.09 -0.04 1.64 1.90 1uz4A1 LEU 250 HB3 0.39 -0.11 0.01 -0.04 1.64 1.89 1uz4A1 LEU 250 HG 0.11 0.22 0.16 -0.04 1.64 2.09 1uz4A1 LEU 250 HD13 0.13 -0.04 -0.22 -0.04 0.93 0.76 1uz4A1 LEU 250 HD23 0.20 -0.02 -0.01 -0.04 0.89 1.01 1uz4A1 VAL 251 H 0.19 0.19 0.26 -0.55 8.24 8.34 1uz4A1 VAL 251 HA 0.25 0.28 0.96 -0.75 4.13 4.86 1uz4A1 VAL 251 HB 0.11 0.24 0.26 -0.04 2.12 2.69 1uz4A1 VAL 251 HG13 0.11 -0.06 -0.04 -0.04 0.97 0.94 1uz4A1 VAL 251 HG23 0.27 0.03 -0.13 -0.04 0.95 1.07 1uz4A1 SER 252 H 0.13 0.57 0.37 -0.55 8.46 8.99 1uz4A1 SER 252 HA -0.14 0.27 0.83 -0.75 4.49 4.70 1uz4A1 SER 252 HB2 -0.34 -0.14 0.03 -0.04 3.95 3.47 1uz4A1 SER 252 HB3 -1.17 0.12 -0.17 -0.04 3.93 2.67 1uz4A1 SER 253 H 0.09 0.19 0.20 -0.55 8.46 8.40 1uz4A1 SER 253 HA 0.12 0.15 0.73 -0.75 4.49 4.74 1uz4A1 SER 253 HB2 0.18 0.02 0.06 -0.04 3.95 4.17 1uz4A1 SER 253 HB3 0.10 0.18 0.07 -0.04 3.93 4.23 1uz4A1 GLY 254 H 0.18 0.12 0.01 -0.55 8.43 8.20 1uz4A1 GLY 254 HA2 0.26 0.03 0.26 -0.51 4.01 4.06 1uz4A1 GLY 254 HA3 0.22 0.43 0.80 -0.51 4.01 4.96 1uz4A1 SER 255 H 0.26 0.03 -0.13 -0.55 8.46 8.07 1uz4A1 SER 255 HA 0.14 0.11 0.41 -0.75 4.49 4.39 1uz4A1 SER 255 HB2 0.45 0.13 0.03 -0.04 3.95 4.52 1uz4A1 SER 255 HB3 0.39 0.05 0.05 -0.04 3.93 4.38 1uz4A1 GLU 256 H 0.02 0.21 0.10 -0.55 8.60 8.39 1uz4A1 GLU 256 HA -0.38 0.10 0.46 -0.75 4.29 3.72 1uz4A1 GLU 256 HB2 0.13 -0.07 -0.08 -0.04 2.09 2.03 1uz4A1 GLU 256 HB3 0.33 0.02 0.04 -0.04 1.99 2.33 1uz4A1 GLU 256 HG2 0.37 -0.02 -0.06 -0.04 2.34 2.59 1uz4A1 GLU 256 HG3 0.06 0.02 -0.00 -0.04 2.34 2.38 1uz4A1 GLY 257 H 0.13 0.12 -0.29 -0.55 8.43 7.85 1uz4A1 GLY 257 HA2 -0.88 0.22 0.25 -0.51 4.01 3.09 1uz4A1 GLY 257 HA3 -0.27 0.17 0.89 -0.51 4.01 4.30 1uz4A1 GLU 258 H 0.22 0.26 0.11 -0.55 8.60 8.64 1uz4A1 GLU 258 HA -0.02 0.09 0.27 -0.75 4.29 3.87 1uz4A1 GLU 258 HB2 -0.25 0.09 0.07 -0.04 2.09 1.95 1uz4A1 GLU 258 HB3 0.05 0.03 0.04 -0.04 1.99 2.07 1uz4A1 GLU 258 HG2 -0.00 -0.02 -0.29 -0.04 2.34 1.99 1uz4A1 GLU 258 HG3 -0.03 -0.09 -0.32 -0.04 2.34 1.86 1uz4A1 MET 259 H 0.19 0.20 -0.27 -0.55 8.47 8.04 1uz4A1 MET 259 HA -0.19 0.07 0.38 -0.75 4.52 4.03 1uz4A1 MET 259 HB2 -0.28 0.06 -0.02 -0.04 2.15 1.87 1uz4A1 MET 259 HB3 -0.57 0.02 -0.07 -0.04 2.03 1.37 1uz4A1 MET 259 HG2 -0.51 -0.02 -0.01 -0.04 2.63 2.06 1uz4A1 MET 259 HG3 -3.09 0.00 0.00 -0.04 2.56 -0.56 1uz4A1 MET 259 HE3 -1.03 -0.00 0.01 -0.04 2.10 1.04 1uz4A1 GLY 260 H 0.05 0.22 -0.59 -0.55 8.43 7.56 1uz4A1 GLY 260 HA2 -0.03 0.14 0.66 -0.51 4.01 4.27 1uz4A1 GLY 260 HA3 0.04 -0.11 0.28 -0.51 4.01 3.71 1uz4A1 SER 261 H -0.02 0.32 -0.53 -0.55 8.46 7.69 1uz4A1 SER 261 HA -0.14 0.21 0.77 -0.75 4.49 4.57 1uz4A1 SER 261 HB2 0.08 -0.06 0.04 -0.04 3.95 3.97 1uz4A1 SER 261 HB3 0.11 -0.04 0.10 -0.04 3.93 4.06 1uz4A1 VAL 262 H -0.10 0.18 -0.23 -0.55 8.24 7.54 1uz4A1 VAL 262 HA -0.05 0.06 0.22 -0.75 4.13 3.60 1uz4A1 VAL 262 HB -0.05 0.07 -0.02 -0.04 2.12 2.08 1uz4A1 VAL 262 HG13 -0.02 -0.01 0.03 -0.04 0.97 0.94 1uz4A1 VAL 262 HG23 -0.09 -0.01 -0.19 -0.04 0.95 0.62 1uz4A1 ASN 263 H -0.04 0.21 -0.21 -0.55 8.53 7.94 1uz4A1 ASN 263 HA -0.02 -0.01 0.11 -0.75 4.76 4.07 1uz4A1 ASN 263 HB2 -0.02 0.20 -0.03 -0.04 2.88 3.00 1uz4A1 ASN 263 HB3 -0.01 -0.03 0.17 -0.04 2.79 2.88 1uz4A1 ASN 263 HD21 -0.04 -0.02 -0.06 -0.04 7.03 6.87 1uz4A1 ASN 263 HD22 -0.02 0.08 -0.12 -0.04 7.74 7.64 1uz4A1 ASP 264 H -0.00 0.36 -0.42 -0.55 8.40 7.79 1uz4A1 ASP 264 HA 0.00 0.13 0.84 -0.75 4.63 4.84 1uz4A1 ASP 264 HB2 -0.00 0.18 -0.10 -0.04 2.71 2.75 1uz4A1 ASP 264 HB3 0.01 0.16 0.17 -0.04 2.70 2.99 1uz4A1 MET 265 H -0.01 0.29 0.09 -0.55 8.47 8.29 1uz4A1 MET 265 HA 0.03 0.01 0.31 -0.75 4.52 4.11 1uz4A1 MET 265 HB2 -0.08 0.02 0.08 -0.04 2.15 2.13 1uz4A1 MET 265 HB3 -0.03 0.05 0.06 -0.04 2.03 2.07 1uz4A1 MET 265 HG2 -0.12 0.09 -0.01 -0.04 2.63 2.55 1uz4A1 MET 265 HG3 0.01 0.02 -0.07 -0.04 2.56 2.48 1uz4A1 MET 265 HE3 -0.85 0.03 -0.09 -0.04 2.10 1.15 1uz4A1 GLN 266 H 0.03 0.09 -0.23 -0.55 8.47 7.81 1uz4A1 GLN 266 HA 0.05 0.13 0.49 -0.75 4.36 4.27 1uz4A1 GLN 266 HB2 0.02 0.01 0.06 -0.04 2.15 2.20 1uz4A1 GLN 266 HB3 0.03 0.00 -0.05 -0.04 2.02 1.96 1uz4A1 GLN 266 HG2 0.02 0.03 -0.03 -0.04 2.40 2.38 1uz4A1 GLN 266 HG3 0.03 0.00 -0.05 -0.04 2.39 2.33 1uz4A1 GLN 266 HE21 0.02 0.08 -0.02 -0.04 6.97 7.02 1uz4A1 GLN 266 HE22 0.03 -0.02 0.02 -0.04 7.69 7.68 1uz4A1 VAL 267 H 0.07 0.20 -0.27 -0.55 8.24 7.68 1uz4A1 VAL 267 HA 0.08 0.07 0.59 -0.75 4.13 4.12 1uz4A1 VAL 267 HB 0.08 0.21 0.18 -0.04 2.12 2.55 1uz4A1 VAL 267 HG13 0.11 -0.00 -0.10 -0.04 0.97 0.94 1uz4A1 VAL 267 HG23 0.02 -0.02 0.01 -0.04 0.95 0.92 1uz4A1 PHE 268 H 0.26 0.27 -0.11 -0.55 8.34 8.20 1uz4A1 PHE 268 HA 0.29 0.03 0.36 -0.75 4.62 4.54 1uz4A1 PHE 268 HB2 0.09 -0.09 -0.07 -0.04 3.15 3.04 1uz4A1 PHE 268 HB3 0.03 0.17 0.11 -0.04 3.06 3.33 1uz4A1 PHE 268 HD2 0.08 0.03 -0.14 -0.04 7.28 7.21 1uz4A1 PHE 268 HE2 -0.11 0.02 -0.06 -0.04 7.38 7.19 1uz4A1 PHE 268 HZ -0.14 0.10 -0.01 -0.04 7.32 7.23 1uz4A1 ILE 269 H 0.19 0.49 -0.12 -0.55 8.25 8.26 1uz4A1 ILE 269 HA -0.01 0.09 0.34 -0.75 4.18 3.85 1uz4A1 ILE 269 HB 0.06 -0.03 0.15 -0.04 1.89 2.03 1uz4A1 ILE 269 HG12 0.07 0.06 -0.01 -0.04 1.49 1.57 1uz4A1 ILE 269 HG13 0.16 -0.00 0.04 -0.04 1.21 1.36 1uz4A1 ILE 269 HG23 0.03 0.02 -0.18 -0.04 0.93 0.75 1uz4A1 ILE 269 HD13 0.03 -0.03 -0.09 -0.04 0.88 0.75 1uz4A1 ASP 270 H 0.06 0.54 -0.13 -0.55 8.40 8.32 1uz4A1 ASP 270 HA 0.05 0.05 0.33 -0.75 4.63 4.31 1uz4A1 ASP 270 HB2 0.03 0.02 0.17 -0.04 2.71 2.90 1uz4A1 ASP 270 HB3 0.02 -0.05 -0.00 -0.04 2.70 2.63 1uz4A1 ALA 271 H 0.02 0.59 -0.19 -0.55 8.40 8.28 1uz4A1 ALA 271 HA -0.17 0.02 0.50 -0.75 4.34 3.93 1uz4A1 ALA 271 HB3 -0.22 -0.03 0.07 -0.04 1.41 1.19 1uz4A1 HIS 272 H -0.05 0.41 -0.38 -0.55 8.41 7.84 1uz4A1 HIS 272 HA -0.10 0.10 0.70 -0.75 4.63 4.59 1uz4A1 HIS 272 HB2 -0.42 0.10 0.05 -0.04 3.26 2.96 1uz4A1 HIS 272 HB3 -0.21 0.04 0.08 -0.04 3.20 3.06 1uz4A1 HIS 272 HD2 -0.11 0.04 0.03 -0.04 6.97 6.88 1uz4A1 HIS 272 HE1 0.10 -0.09 -0.04 -0.04 7.75 7.68 1uz4A1 ALA 273 H 0.03 0.23 -0.32 -0.55 8.40 7.79 1uz4A1 ALA 273 HA -0.02 0.15 0.42 -0.75 4.34 4.14 1uz4A1 ALA 273 HB3 0.00 -0.01 0.07 -0.04 1.41 1.43 1uz4A1 THR 274 H -0.19 0.06 -0.37 -0.55 8.28 7.23 1uz4A1 THR 274 HA -0.23 0.08 0.44 -0.75 4.39 3.92 1uz4A1 THR 274 HB -0.84 -0.00 0.07 -0.04 4.32 3.51 1uz4A1 THR 274 HG23 -0.18 -0.00 -0.04 -0.04 1.22 0.96 1uz4A1 PRO 275 HA -0.03 0.25 0.52 -0.51 4.44 4.67 1uz4A1 PRO 275 HB2 -0.03 0.02 -0.02 -0.04 2.28 2.21 1uz4A1 PRO 275 HB3 -0.03 0.04 0.14 -0.04 2.02 2.13 1uz4A1 PRO 275 HG2 -0.06 -0.02 0.05 -0.04 2.03 1.97 1uz4A1 PRO 275 HG3 -0.05 0.01 0.09 -0.04 2.03 2.04 1uz4A1 PRO 275 HD2 -0.13 -0.02 0.24 -0.04 3.68 3.73 1uz4A1 PRO 275 HD3 -0.09 0.20 0.23 -0.04 3.65 3.95 1uz4A1 ASP 276 H -0.09 -0.03 -0.40 -0.55 8.40 7.34 1uz4A1 ASP 276 HA -0.01 0.19 0.53 -0.75 4.63 4.59 1uz4A1 ASP 276 HB2 -0.07 -0.05 -0.12 -0.04 2.71 2.43 1uz4A1 ASP 276 HB3 -0.03 0.05 -0.19 -0.04 2.70 2.49 1uz4A1 ILE 277 H -0.04 0.36 -0.39 -0.55 8.25 7.63 1uz4A1 ILE 277 HA 0.01 0.08 0.74 -0.75 4.18 4.26 1uz4A1 ILE 277 HB -0.02 0.23 0.11 -0.04 1.89 2.17 1uz4A1 ILE 277 HG12 -0.07 -0.06 -0.19 -0.04 1.49 1.13 1uz4A1 ILE 277 HG13 -0.10 0.01 -0.02 -0.04 1.21 1.07 1uz4A1 ILE 277 HG23 0.07 -0.05 -0.06 -0.04 0.93 0.85 1uz4A1 ILE 277 HD13 -0.02 -0.04 -0.14 -0.04 0.88 0.65 1uz4A1 ASP 278 H 0.08 0.49 0.28 -0.55 8.40 8.69 1uz4A1 ASP 278 HA 0.09 0.23 0.53 -0.75 4.63 4.73 1uz4A1 ASP 278 HB2 0.31 -0.12 0.12 -0.04 2.71 2.98 1uz4A1 ASP 278 HB3 0.23 -0.01 0.04 -0.04 2.70 2.93 1uz4A1 TYR 279 H -0.00 0.16 0.10 -0.55 8.29 8.00 1uz4A1 TYR 279 HA 0.06 0.25 0.56 -0.75 4.56 4.68 1uz4A1 TYR 279 HB2 0.11 0.08 0.00 -0.04 3.06 3.21 1uz4A1 TYR 279 HB3 0.19 0.10 -0.25 -0.04 2.98 2.98 1uz4A1 TYR 279 HD2 0.29 0.12 -0.27 -0.04 7.15 7.25 1uz4A1 TYR 279 HE2 0.18 -0.04 -0.28 -0.04 6.85 6.66 1uz4A1 LEU 280 H 0.27 0.85 0.26 -0.55 8.37 9.20 1uz4A1 LEU 280 HA 0.01 0.04 0.68 -0.75 4.35 4.32 1uz4A1 LEU 280 HB2 0.16 0.06 0.03 -0.04 1.64 1.85 1uz4A1 LEU 280 HB3 0.20 -0.09 -0.02 -0.04 1.64 1.69 1uz4A1 LEU 280 HG 0.06 0.10 -0.19 -0.04 1.64 1.57 1uz4A1 LEU 280 HD13 0.09 0.00 -0.17 -0.04 0.93 0.80 1uz4A1 LEU 280 HD23 -0.17 0.02 -0.15 -0.04 0.89 0.54 1uz4A1 THR 281 H 0.17 0.15 0.22 -0.55 8.28 8.27 1uz4A1 THR 281 HA 0.36 0.30 0.88 -0.75 4.39 5.19 1uz4A1 THR 281 HB 0.35 0.03 0.00 -0.04 4.32 4.66 1uz4A1 THR 281 HG23 0.24 0.00 -0.16 -0.04 1.22 1.26 1uz4A1 TYR 282 H 0.41 0.53 0.32 -0.55 8.29 9.00 1uz4A1 TYR 282 HA 0.01 0.04 -0.05 -0.75 4.56 3.81 1uz4A1 TYR 282 HB2 -0.35 0.07 0.13 -0.04 3.06 2.86 1uz4A1 TYR 282 HB3 -0.25 0.05 -0.04 -0.04 2.98 2.70 1uz4A1 TYR 282 HD2 -0.04 0.03 -0.22 -0.04 7.15 6.88 1uz4A1 TYR 282 HE2 0.06 -0.00 -0.23 -0.04 6.85 6.63 1uz4A1 HIS 283 H 0.28 0.58 0.32 -0.55 8.41 9.06 1uz4A1 HIS 283 HA -0.12 0.27 0.95 -0.75 4.63 4.98 1uz4A1 HIS 283 HB2 0.30 -0.09 0.04 -0.04 3.26 3.48 1uz4A1 HIS 283 HB3 0.17 -0.02 -0.02 -0.04 3.20 3.28 1uz4A1 HIS 283 HD2 0.15 0.13 -0.71 -0.04 6.97 6.50 1uz4A1 HIS 283 HE1 0.18 -0.07 -0.08 -0.04 7.75 7.74 1uz4A1 MET 284 H -0.57 0.59 0.26 -0.55 8.47 8.20 1uz4A1 MET 284 HA -0.49 0.15 0.99 -0.75 4.52 4.42 1uz4A1 MET 284 HB2 -0.32 0.05 0.15 -0.04 2.15 1.99 1uz4A1 MET 284 HB3 -0.25 -0.08 0.00 -0.04 2.03 1.66 1uz4A1 MET 284 HG2 0.11 0.07 -0.05 -0.04 2.63 2.72 1uz4A1 MET 284 HG3 -0.07 0.04 -0.20 -0.04 2.56 2.30 1uz4A1 MET 284 HE3 -0.05 0.00 -0.03 -0.04 2.10 1.97 1uz4A1 TRP 285 H -2.61 0.23 0.02 -0.55 7.97 5.06 1uz4A1 TRP 285 HA -0.71 0.18 0.88 -0.75 4.62 4.20 1uz4A1 TRP 285 HB2 -1.55 0.07 0.05 -0.04 3.23 1.76 1uz4A1 TRP 285 HB3 -0.86 -0.12 0.09 -0.04 3.23 2.31 1uz4A1 TRP 285 HD1 -0.14 0.03 -0.26 -0.04 7.22 6.81 1uz4A1 TRP 285 HE1 -0.32 0.03 -0.17 -0.04 10.20 9.71 1uz4A1 TRP 285 HE3 -0.61 -0.14 0.04 -0.04 7.59 6.84 1uz4A1 TRP 285 HZ2 -0.75 0.02 -0.12 -0.04 7.44 6.55 1uz4A1 TRP 285 HZ3 -1.77 -0.02 -0.20 -0.04 7.13 5.10 1uz4A1 TRP 285 HH2 -0.39 0.13 -0.16 -0.04 7.19 6.74 1uz4A1 ILE 286 H -0.43 0.31 0.07 -0.55 8.25 7.65 1uz4A1 ILE 286 HA -0.50 0.11 0.20 -0.75 4.18 3.24 1uz4A1 ILE 286 HB 0.26 0.02 0.01 -0.04 1.89 2.14 1uz4A1 ILE 286 HG12 -0.40 0.06 0.09 -0.04 1.49 1.21 1uz4A1 ILE 286 HG13 -0.17 -0.04 -0.09 -0.04 1.21 0.86 1uz4A1 ILE 286 HG23 0.15 0.03 -0.03 -0.04 0.93 1.04 1uz4A1 ILE 286 HD13 -0.33 0.02 -0.09 -0.04 0.88 0.44 1uz4A1 ARG 287 H -0.04 0.11 -0.10 -0.55 8.46 7.87 1uz4A1 ARG 287 HA 0.20 0.29 0.69 -0.75 4.34 4.76 1uz4A1 ARG 287 HB2 0.28 -0.06 0.07 -0.04 1.90 2.15 1uz4A1 ARG 287 HB3 0.20 -0.00 0.06 -0.04 1.80 2.02 1uz4A1 ARG 287 HG2 0.17 0.23 0.12 -0.04 1.67 2.14 1uz4A1 ARG 287 HG3 0.22 -0.07 -0.00 -0.04 1.67 1.77 1uz4A1 ARG 287 HD2 0.03 0.05 -0.44 -0.04 3.22 2.82 1uz4A1 ARG 287 HD3 0.03 0.00 -0.03 -0.04 3.22 3.18 1uz4A1 ASN 288 H -0.12 0.02 -0.14 -0.55 8.53 7.74 1uz4A1 ASN 288 HA -0.12 0.07 0.34 -0.75 4.76 4.30 1uz4A1 ASN 288 HB2 -0.45 0.07 0.05 -0.04 2.88 2.51 1uz4A1 ASN 288 HB3 -0.23 0.03 0.01 -0.04 2.79 2.56 1uz4A1 ASN 288 HD21 -0.86 -0.00 -0.04 -0.04 7.03 6.08 1uz4A1 ASN 288 HD22 -0.61 0.03 -0.03 -0.04 7.74 7.09 1uz4A1 TRP 289 H -0.32 0.31 -0.39 -0.55 7.97 7.03 1uz4A1 TRP 289 HA -0.24 0.13 0.55 -0.75 4.62 4.31 1uz4A1 TRP 289 HB2 -1.22 -0.03 0.02 -0.04 3.23 1.95 1uz4A1 TRP 289 HB3 -0.83 0.02 0.11 -0.04 3.23 2.48 1uz4A1 TRP 289 HD1 -0.22 0.06 -0.33 -0.04 7.22 6.69 1uz4A1 TRP 289 HE1 -0.07 0.00 -0.09 -0.04 10.20 10.00 1uz4A1 TRP 289 HE3 -2.57 0.05 -0.09 -0.04 7.59 4.94 1uz4A1 TRP 289 HZ2 -0.02 0.05 -0.08 -0.04 7.44 7.35 1uz4A1 TRP 289 HZ3 -1.17 0.07 0.02 -0.04 7.13 6.01 1uz4A1 TRP 289 HH2 -0.70 0.38 0.22 -0.04 7.19 7.05 1uz4A1 SER 290 H 0.03 0.42 -0.48 -0.55 8.46 7.89 1uz4A1 SER 290 HA 0.10 0.09 0.27 -0.75 4.49 4.20 1uz4A1 SER 290 HB2 0.14 0.20 -0.05 -0.04 3.95 4.20 1uz4A1 SER 290 HB3 0.12 -0.05 0.15 -0.04 3.93 4.11 1uz4A1 TRP 291 H 0.21 0.21 -0.20 -0.55 7.97 7.65 1uz4A1 TRP 291 HA 0.10 0.14 0.56 -0.75 4.62 4.66 1uz4A1 TRP 291 HB2 0.15 -0.02 0.13 -0.04 3.23 3.44 1uz4A1 TRP 291 HB3 0.11 -0.05 0.05 -0.04 3.23 3.30 1uz4A1 TRP 291 HD1 0.13 0.10 -0.26 -0.04 7.22 7.15 1uz4A1 TRP 291 HE1 0.08 0.03 -0.02 -0.04 10.20 10.24 1uz4A1 TRP 291 HE3 0.11 -0.00 -0.01 -0.04 7.59 7.64 1uz4A1 TRP 291 HZ2 0.01 0.01 -0.02 -0.04 7.44 7.40 1uz4A1 TRP 291 HZ3 0.15 -0.03 -0.21 -0.04 7.13 7.00 1uz4A1 TRP 291 HH2 0.15 0.00 -0.05 -0.04 7.19 7.25 1uz4A1 PHE 292 H 0.35 0.35 -0.01 -0.55 8.34 8.48 1uz4A1 PHE 292 HA 0.14 0.14 0.62 -0.75 4.62 4.76 1uz4A1 PHE 292 HB2 0.18 0.02 -0.21 -0.04 3.15 3.10 1uz4A1 PHE 292 HB3 0.08 -0.11 -0.26 -0.04 3.06 2.73 1uz4A1 PHE 292 HD2 0.16 -0.01 -0.22 -0.04 7.28 7.17 1uz4A1 PHE 292 HE2 -0.02 0.02 -0.08 -0.04 7.38 7.25 1uz4A1 PHE 292 HZ -0.39 -0.04 -0.07 -0.04 7.32 6.77 1uz4A1 ASP 293 H -0.40 0.24 -0.01 -0.55 8.40 7.68 1uz4A1 ASP 293 HA -0.12 0.18 0.78 -0.75 4.63 4.72 1uz4A1 ASP 293 HB2 -0.09 0.16 -0.03 -0.04 2.71 2.71 1uz4A1 ASP 293 HB3 -0.22 0.03 0.10 -0.04 2.70 2.57 1uz4A1 LYS 294 H -0.11 0.27 0.07 -0.55 8.42 8.10 1uz4A1 LYS 294 HA -0.25 0.04 0.11 -0.75 4.32 3.47 1uz4A1 LYS 294 HB2 0.02 0.01 0.04 -0.04 1.87 1.89 1uz4A1 LYS 294 HB3 0.10 -0.03 0.05 -0.04 1.79 1.88 1uz4A1 LYS 294 HG2 -0.04 -0.03 0.03 -0.04 1.46 1.38 1uz4A1 LYS 294 HG3 -0.08 0.10 -0.28 -0.04 1.46 1.17 1uz4A1 LYS 294 HD2 -0.06 -0.03 0.02 -0.04 1.69 1.59 1uz4A1 LYS 294 HD3 -0.02 -0.04 0.00 -0.04 1.68 1.59 1uz4A1 LYS 294 HE2 -0.04 -0.02 -0.01 -0.04 2.99 2.88 1uz4A1 LYS 294 HE3 -0.11 0.09 -0.01 -0.04 2.99 2.92 1uz4A1 THR 295 H -0.15 0.03 -0.35 -0.55 8.28 7.27 1uz4A1 THR 295 HA -0.12 0.20 0.90 -0.75 4.39 4.62 1uz4A1 THR 295 HB -0.07 0.05 0.14 -0.04 4.32 4.39 1uz4A1 THR 295 HG23 -0.08 0.02 -0.07 -0.04 1.22 1.06 1uz4A1 LYS 296 H -0.25 0.26 -0.38 -0.55 8.42 7.50 1uz4A1 LYS 296 HA -0.12 0.15 0.64 -0.75 4.32 4.23 1uz4A1 LYS 296 HB2 -0.12 -0.02 0.11 -0.04 1.87 1.79 1uz4A1 LYS 296 HB3 -0.08 -0.06 0.18 -0.04 1.79 1.79 1uz4A1 LYS 296 HG2 -0.06 0.10 0.03 -0.04 1.46 1.49 1uz4A1 LYS 296 HG3 -0.08 -0.06 -0.41 -0.04 1.46 0.87 1uz4A1 LYS 296 HD2 -0.05 -0.01 -0.03 -0.04 1.69 1.56 1uz4A1 LYS 296 HD3 -0.04 0.00 0.01 -0.04 1.68 1.61 1uz4A1 LYS 296 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.93 1uz4A1 LYS 296 HE3 -0.04 -0.00 -0.05 -0.04 2.99 2.86 1uz4A1 PRO 297 HA -0.73 0.07 0.40 -0.51 4.44 3.67 1uz4A1 PRO 297 HB2 -1.65 0.01 -0.01 -0.04 2.28 0.59 1uz4A1 PRO 297 HB3 -0.61 0.04 0.05 -0.04 2.02 1.47 1uz4A1 PRO 297 HG2 -0.28 -0.02 0.09 -0.04 2.03 1.77 1uz4A1 PRO 297 HG3 -0.32 0.00 0.07 -0.04 2.03 1.74 1uz4A1 PRO 297 HD2 -0.17 0.21 -0.18 -0.04 3.68 3.50 1uz4A1 PRO 297 HD3 -0.28 0.20 -0.39 -0.04 3.65 3.14 1uz4A1 ALA 298 H -0.06 0.18 -0.06 -0.55 8.40 7.91 1uz4A1 ALA 298 HA 0.29 0.08 0.42 -0.75 4.34 4.37 1uz4A1 ALA 298 HB3 0.12 0.02 0.06 -0.04 1.41 1.57 1uz4A1 GLU 299 H -0.00 0.06 -0.32 -0.55 8.60 7.79 1uz4A1 GLU 299 HA 0.06 0.12 0.42 -0.75 4.29 4.13 1uz4A1 GLU 299 HB2 -0.02 0.06 0.08 -0.04 2.09 2.17 1uz4A1 GLU 299 HB3 0.01 0.04 0.03 -0.04 1.99 2.03 1uz4A1 GLU 299 HG2 0.00 0.05 0.03 -0.04 2.34 2.37 1uz4A1 GLU 299 HG3 0.02 0.02 -0.01 -0.04 2.34 2.33 1uz4A1 THR 300 H 0.00 0.24 -0.14 -0.55 8.28 7.83 1uz4A1 THR 300 HA 0.06 0.22 0.83 -0.75 4.39 4.74 1uz4A1 THR 300 HB 0.07 0.19 0.22 -0.04 4.32 4.75 1uz4A1 THR 300 HG23 -0.04 0.01 -0.01 -0.04 1.22 1.14 1uz4A1 TRP 301 H 0.35 0.45 -0.00 -0.55 7.97 8.22 1uz4A1 TRP 301 HA 0.40 -0.06 0.37 -0.75 4.62 4.57 1uz4A1 TRP 301 HB2 0.45 -0.06 0.11 -0.04 3.23 3.69 1uz4A1 TRP 301 HB3 0.26 0.14 0.15 -0.04 3.23 3.74 1uz4A1 TRP 301 HD1 0.13 0.07 -0.08 -0.04 7.22 7.30 1uz4A1 TRP 301 HE1 -0.08 0.04 -0.08 -0.04 10.20 10.04 1uz4A1 TRP 301 HE3 0.08 -0.04 -0.02 -0.04 7.59 7.56 1uz4A1 TRP 301 HZ2 -0.66 0.07 -0.09 -0.04 7.44 6.73 1uz4A1 TRP 301 HZ3 -0.14 -0.03 -0.06 -0.04 7.13 6.85 1uz4A1 TRP 301 HH2 -0.07 0.03 -0.02 -0.04 7.19 7.08 1uz4A1 PRO 302 HA -0.27 0.04 0.41 -0.51 4.44 4.12 1uz4A1 PRO 302 HB2 0.02 0.05 0.05 -0.04 2.28 2.36 1uz4A1 PRO 302 HB3 0.03 0.04 0.07 -0.04 2.02 2.12 1uz4A1 PRO 302 HG2 0.13 0.11 0.06 -0.04 2.03 2.28 1uz4A1 PRO 302 HG3 0.21 0.00 0.05 -0.04 2.03 2.25 1uz4A1 PRO 302 HD2 0.15 0.21 -0.30 -0.04 3.68 3.69 1uz4A1 PRO 302 HD3 0.38 0.13 0.06 -0.04 3.65 4.18 1uz4A1 SER 303 H 0.00 0.24 -0.19 -0.55 8.46 7.96 1uz4A1 SER 303 HA -0.09 0.04 0.43 -0.75 4.49 4.12 1uz4A1 SER 303 HB2 -0.02 0.00 0.13 -0.04 3.95 4.02 1uz4A1 SER 303 HB3 0.01 0.16 0.18 -0.04 3.93 4.24 1uz4A1 ALA 304 H 0.05 0.59 -0.06 -0.55 8.40 8.43 1uz4A1 ALA 304 HA 0.11 -0.00 0.41 -0.75 4.34 4.10 1uz4A1 ALA 304 HB3 0.32 0.04 -0.11 -0.04 1.41 1.62 1uz4A1 TRP 305 H -0.32 0.69 -0.14 -0.55 7.97 7.66 1uz4A1 TRP 305 HA -0.31 -0.04 0.48 -0.75 4.62 3.99 1uz4A1 TRP 305 HB2 -2.03 -0.04 0.07 -0.04 3.23 1.19 1uz4A1 TRP 305 HB3 -0.81 0.15 0.14 -0.04 3.23 2.68 1uz4A1 TRP 305 HD1 -0.18 0.04 -0.07 -0.04 7.22 6.98 1uz4A1 TRP 305 HE1 0.01 0.04 -0.04 -0.04 10.20 10.17 1uz4A1 TRP 305 HE3 0.10 -0.04 0.02 -0.04 7.59 7.63 1uz4A1 TRP 305 HZ2 0.06 0.09 -0.04 -0.04 7.44 7.50 1uz4A1 TRP 305 HZ3 0.22 -0.01 -0.05 -0.04 7.13 7.25 1uz4A1 TRP 305 HH2 0.02 0.07 -0.52 -0.04 7.19 6.73 1uz4A1 GLU 306 H -0.20 0.49 -0.12 -0.55 8.60 8.23 1uz4A1 GLU 306 HA -0.36 0.02 0.39 -0.75 4.29 3.59 1uz4A1 GLU 306 HB2 -0.14 0.06 0.15 -0.04 2.09 2.12 1uz4A1 GLU 306 HB3 -0.19 0.13 0.20 -0.04 1.99 2.09 1uz4A1 GLU 306 HG2 -0.19 -0.03 -0.14 -0.04 2.34 1.94 1uz4A1 GLU 306 HG3 -0.15 -0.02 0.05 -0.04 2.34 2.18 1uz4A1 LYS 307 H -0.33 0.57 -0.12 -0.55 8.42 7.99 1uz4A1 LYS 307 HA -0.43 0.04 0.49 -0.75 4.32 3.66 1uz4A1 LYS 307 HB2 -0.93 0.08 0.17 -0.04 1.87 1.15 1uz4A1 LYS 307 HB3 -2.10 -0.08 0.05 -0.04 1.79 -0.37 1uz4A1 LYS 307 HG2 -0.60 -0.04 0.03 -0.04 1.46 0.81 1uz4A1 LYS 307 HG3 -0.48 0.19 0.09 -0.04 1.46 1.23 1uz4A1 LYS 307 HD2 -0.89 -0.01 -0.02 -0.04 1.69 0.73 1uz4A1 LYS 307 HD3 -1.83 -0.05 0.00 -0.04 1.68 -0.23 1uz4A1 LYS 307 HE2 -0.34 -0.02 -0.00 -0.04 2.99 2.58 1uz4A1 LYS 307 HE3 -0.30 0.00 -0.00 -0.04 2.99 2.65 1uz4A1 ALA 308 H -0.15 0.56 -0.14 -0.55 8.40 8.13 1uz4A1 ALA 308 HA 0.40 -0.05 0.38 -0.75 4.34 4.32 1uz4A1 ALA 308 HB3 0.14 0.01 0.10 -0.04 1.41 1.62 1uz4A1 GLN 309 H -0.63 0.63 -0.10 -0.55 8.47 7.82 1uz4A1 GLN 309 HA -0.32 0.01 0.45 -0.75 4.36 3.74 1uz4A1 GLN 309 HB2 -0.33 -0.02 0.09 -0.04 2.15 1.85 1uz4A1 GLN 309 HB3 -1.02 -0.01 0.10 -0.04 2.02 1.05 1uz4A1 GLN 309 HG2 -0.58 0.18 0.22 -0.04 2.40 2.18 1uz4A1 GLN 309 HG3 -0.29 -0.01 -0.01 -0.04 2.39 2.03 1uz4A1 GLN 309 HE21 -0.09 -0.03 -0.07 -0.04 6.97 6.75 1uz4A1 GLN 309 HE22 -0.99 0.04 -0.29 -0.04 7.69 6.41 1uz4A1 ASN 310 H -0.20 0.48 -0.22 -0.55 8.53 8.04 1uz4A1 ASN 310 HA -0.08 0.03 0.50 -0.75 4.76 4.46 1uz4A1 ASN 310 HB2 -0.14 0.13 0.19 -0.04 2.88 3.02 1uz4A1 ASN 310 HB3 -0.07 -0.07 -0.00 -0.04 2.79 2.62 1uz4A1 ASN 310 HD21 -0.13 -0.03 -0.02 -0.04 7.03 6.80 1uz4A1 ASN 310 HD22 -0.17 -0.05 -0.02 -0.04 7.74 7.46 1uz4A1 TYR 311 H 0.19 0.53 -0.13 -0.55 8.29 8.32 1uz4A1 TYR 311 HA 0.20 -0.02 0.52 -0.75 4.56 4.50 1uz4A1 TYR 311 HB2 0.49 0.09 0.14 -0.04 3.06 3.75 1uz4A1 TYR 311 HB3 0.36 0.08 0.16 -0.04 2.98 3.54 1uz4A1 TYR 311 HD2 0.36 0.05 -0.05 -0.04 7.15 7.47 1uz4A1 TYR 311 HE2 0.07 0.04 0.05 -0.04 6.85 6.97 1uz4A1 MET 312 H 0.18 0.59 -0.09 -0.55 8.47 8.61 1uz4A1 MET 312 HA 0.19 -0.01 0.33 -0.75 4.52 4.28 1uz4A1 MET 312 HB2 0.02 0.13 0.17 -0.04 2.15 2.43 1uz4A1 MET 312 HB3 0.10 -0.01 -0.01 -0.04 2.03 2.07 1uz4A1 MET 312 HG2 0.26 -0.05 -0.00 -0.04 2.63 2.79 1uz4A1 MET 312 HG3 0.16 0.14 0.07 -0.04 2.56 2.88 1uz4A1 MET 312 HE3 0.04 0.03 -0.01 -0.04 2.10 2.12 1uz4A1 ARG 313 H -0.02 0.59 -0.10 -0.55 8.46 8.38 1uz4A1 ARG 313 HA -0.04 0.02 0.39 -0.75 4.34 3.96 1uz4A1 ARG 313 HB2 -0.06 0.06 0.18 -0.04 1.90 2.04 1uz4A1 ARG 313 HB3 -0.05 -0.03 0.02 -0.04 1.80 1.70 1uz4A1 ARG 313 HG2 -0.03 -0.04 0.02 -0.04 1.67 1.58 1uz4A1 ARG 313 HG3 -0.06 0.21 0.09 -0.04 1.67 1.86 1uz4A1 ARG 313 HD2 -0.05 -0.02 -0.02 -0.04 3.22 3.09 1uz4A1 ARG 313 HD3 -0.03 0.00 -0.00 -0.04 3.22 3.15 1uz4A1 ALA 314 H -0.08 0.60 -0.17 -0.55 8.40 8.20 1uz4A1 ALA 314 HA -0.15 0.02 0.44 -0.75 4.34 3.90 1uz4A1 ALA 314 HB3 -0.24 0.01 0.14 -0.04 1.41 1.28 1uz4A1 HIS 315 H -0.17 0.46 -0.21 -0.55 8.41 7.94 1uz4A1 HIS 315 HA -0.27 0.02 0.57 -0.75 4.63 4.19 1uz4A1 HIS 315 HB2 -0.92 0.12 0.07 -0.04 3.26 2.49 1uz4A1 HIS 315 HB3 -0.66 0.00 -0.05 -0.04 3.20 2.45 1uz4A1 HIS 315 HD2 -0.78 0.10 0.01 -0.04 6.97 6.25 1uz4A1 HIS 315 HE1 -1.46 -0.06 0.09 -0.04 7.75 6.28 1uz4A1 ILE 316 H -0.13 0.63 -0.00 -0.55 8.25 8.19 1uz4A1 ILE 316 HA -0.05 0.06 0.51 -0.75 4.18 3.95 1uz4A1 ILE 316 HB -0.04 0.07 0.13 -0.04 1.89 2.01 1uz4A1 ILE 316 HG12 0.01 -0.02 -0.05 -0.04 1.49 1.40 1uz4A1 ILE 316 HG13 -0.07 0.02 0.03 -0.04 1.21 1.14 1uz4A1 ILE 316 HG23 -0.00 -0.00 -0.09 -0.04 0.93 0.80 1uz4A1 ILE 316 HD13 0.03 -0.03 -0.14 -0.04 0.88 0.71 1uz4A1 ASP 317 H -0.09 0.54 -0.22 -0.55 8.40 8.08 1uz4A1 ASP 317 HA -0.03 0.05 0.40 -0.75 4.63 4.29 1uz4A1 ASP 317 HB2 -0.09 0.11 0.17 -0.04 2.71 2.86 1uz4A1 ASP 317 HB3 -0.05 -0.05 -0.01 -0.04 2.70 2.55 1uz4A1 VAL 318 H -0.09 0.40 -0.10 -0.55 8.24 7.90 1uz4A1 VAL 318 HA -0.01 0.01 0.54 -0.75 4.13 3.92 1uz4A1 VAL 318 HB -0.03 0.07 0.15 -0.04 2.12 2.28 1uz4A1 VAL 318 HG13 0.20 -0.01 -0.16 -0.04 0.97 0.96 1uz4A1 VAL 318 HG23 -0.06 0.00 0.04 -0.04 0.95 0.90 1uz4A1 ALA 319 H -0.01 0.51 -0.23 -0.55 8.40 8.13 1uz4A1 ALA 319 HA 0.04 0.03 0.38 -0.75 4.34 4.03 1uz4A1 ALA 319 HB3 0.02 0.09 0.08 -0.04 1.41 1.56 1uz4A1 LYS 320 H -0.01 0.44 -0.17 -0.55 8.42 8.13 1uz4A1 LYS 320 HA 0.00 0.06 0.57 -0.75 4.32 4.19 1uz4A1 LYS 320 HB2 -0.01 0.12 0.19 -0.04 1.87 2.13 1uz4A1 LYS 320 HB3 -0.00 -0.05 0.02 -0.04 1.79 1.72 1uz4A1 LYS 320 HG2 0.00 0.01 0.08 -0.04 1.46 1.51 1uz4A1 LYS 320 HG3 -0.00 0.12 0.08 -0.04 1.46 1.62 1uz4A1 LYS 320 HD2 -0.01 -0.05 -0.01 -0.04 1.69 1.57 1uz4A1 LYS 320 HD3 -0.00 -0.01 0.01 -0.04 1.68 1.63 1uz4A1 LYS 320 HE2 0.00 0.06 -0.00 -0.04 2.99 3.01 1uz4A1 LYS 320 HE3 -0.00 -0.05 -0.05 -0.04 2.99 2.85 1uz4A1 GLN 321 H -0.00 0.41 -0.14 -0.55 8.47 8.19 1uz4A1 GLN 321 HA -0.00 -0.00 0.41 -0.75 4.36 4.01 1uz4A1 GLN 321 HB2 -0.01 -0.03 0.13 -0.04 2.15 2.20 1uz4A1 GLN 321 HB3 0.00 0.09 0.17 -0.04 2.02 2.24 1uz4A1 GLN 321 HG2 0.00 0.06 -0.16 -0.04 2.40 2.26 1uz4A1 GLN 321 HG3 -0.00 -0.04 0.04 -0.04 2.39 2.34 1uz4A1 GLN 321 HE21 0.01 -0.10 -0.04 -0.04 6.97 6.80 1uz4A1 GLN 321 HE22 0.01 0.05 -0.06 -0.04 7.69 7.65 1uz4A1 LEU 322 H 0.01 0.49 -0.17 -0.55 8.37 8.16 1uz4A1 LEU 322 HA 0.00 0.08 0.56 -0.75 4.35 4.24 1uz4A1 LEU 322 HB2 0.01 0.01 -0.02 -0.04 1.64 1.61 1uz4A1 LEU 322 HB3 0.00 0.09 -0.04 -0.04 1.64 1.65 1uz4A1 LEU 322 HG 0.01 -0.08 -0.07 -0.04 1.64 1.47 1uz4A1 LEU 322 HD13 -0.02 0.00 -0.16 -0.04 0.93 0.71 1uz4A1 LEU 322 HD23 -0.00 0.01 -0.08 -0.04 0.89 0.78 1uz4A1 ASN 323 H 0.00 0.19 -0.50 -0.55 8.53 7.67 1uz4A1 ASN 323 HA 0.00 -0.01 0.31 -0.75 4.76 4.31 1uz4A1 ASN 323 HB2 -0.00 0.01 -0.09 -0.04 2.88 2.76 1uz4A1 ASN 323 HB3 -0.00 0.16 -0.05 -0.04 2.79 2.85 1uz4A1 ASN 323 HD21 -0.01 -0.11 0.09 -0.04 7.03 6.95 1uz4A1 ASN 323 HD22 -0.01 0.04 0.08 -0.04 7.74 7.81 1uz4A1 LYS 324 H 0.01 0.39 0.05 -0.55 8.42 8.32 1uz4A1 LYS 324 HA -0.01 0.34 0.79 -0.75 4.32 4.68 1uz4A1 LYS 324 HB2 0.04 -0.20 -0.13 -0.04 1.87 1.54 1uz4A1 LYS 324 HB3 0.06 -0.00 0.02 -0.04 1.79 1.83 1uz4A1 LYS 324 HG2 0.02 0.13 -0.04 -0.04 1.46 1.53 1uz4A1 LYS 324 HG3 0.01 0.14 -0.57 -0.04 1.46 1.00 1uz4A1 LYS 324 HD2 0.02 -0.19 -0.19 -0.04 1.69 1.29 1uz4A1 LYS 324 HD3 0.04 -0.04 -0.34 -0.04 1.68 1.30 1uz4A1 LYS 324 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 1uz4A1 LYS 324 HE3 -0.00 -0.04 -0.06 -0.04 2.99 2.84 1uz4A1 PRO 325 HA -0.07 0.28 0.62 -0.51 4.44 4.76 1uz4A1 PRO 325 HB2 -0.57 -0.12 -0.16 -0.04 2.28 1.39 1uz4A1 PRO 325 HB3 -0.56 0.06 -0.14 -0.04 2.02 1.34 1uz4A1 PRO 325 HG2 -0.66 -0.02 -0.15 -0.04 2.03 1.16 1uz4A1 PRO 325 HG3 -0.38 0.06 -0.37 -0.04 2.03 1.29 1uz4A1 PRO 325 HD2 0.01 0.10 0.31 -0.04 3.68 4.06 1uz4A1 PRO 325 HD3 -0.08 0.44 0.29 -0.04 3.65 4.25 1uz4A1 LEU 326 H 0.05 0.61 0.35 -0.55 8.37 8.84 1uz4A1 LEU 326 HA 0.22 0.18 0.86 -0.75 4.35 4.86 1uz4A1 LEU 326 HB2 0.08 0.08 -0.12 -0.04 1.64 1.64 1uz4A1 LEU 326 HB3 0.10 0.04 0.07 -0.04 1.64 1.80 1uz4A1 LEU 326 HG 0.28 -0.08 -0.47 -0.04 1.64 1.34 1uz4A1 LEU 326 HD13 0.10 -0.00 -0.34 -0.04 0.93 0.64 1uz4A1 LEU 326 HD23 -0.27 0.00 -0.33 -0.04 0.89 0.25 1uz4A1 VAL 327 H 0.37 0.62 0.21 -0.55 8.24 8.90 1uz4A1 VAL 327 HA 0.23 0.24 0.79 -0.75 4.13 4.64 1uz4A1 VAL 327 HB 0.40 -0.04 0.01 -0.04 2.12 2.46 1uz4A1 VAL 327 HG13 0.15 -0.04 -0.55 -0.04 0.97 0.49 1uz4A1 VAL 327 HG23 0.30 0.03 -0.35 -0.04 0.95 0.90 1uz4A1 LEU 328 H 0.14 0.66 0.23 -0.55 8.37 8.86 1uz4A1 LEU 328 HA -0.35 0.16 0.75 -0.75 4.35 4.15 1uz4A1 LEU 328 HB2 -0.33 0.02 0.08 -0.04 1.64 1.37 1uz4A1 LEU 328 HB3 -0.17 0.03 0.22 -0.04 1.64 1.69 1uz4A1 LEU 328 HG -0.39 -0.06 -0.16 -0.04 1.64 0.99 1uz4A1 LEU 328 HD13 -0.93 0.04 -0.12 -0.04 0.93 -0.13 1uz4A1 LEU 328 HD23 -0.97 -0.01 -0.05 -0.04 0.89 -0.18 1uz4A1 GLU 329 H 0.17 0.42 0.13 -0.55 8.60 8.78 1uz4A1 GLU 329 HA 0.14 0.01 0.18 -0.75 4.29 3.86 1uz4A1 GLU 329 HB2 0.20 -0.03 -0.03 -0.04 2.09 2.20 1uz4A1 GLU 329 HB3 0.26 0.05 -0.13 -0.04 1.99 2.12 1uz4A1 GLU 329 HG2 0.42 0.08 -0.05 -0.04 2.34 2.75 1uz4A1 GLU 329 HG3 0.12 -0.03 -0.37 -0.04 2.34 2.01 1uz4A1 GLU 330 H -0.05 0.25 -0.06 -0.55 8.60 8.20 1uz4A1 GLU 330 HA 0.14 0.29 0.20 -0.75 4.29 4.16 1uz4A1 GLU 330 HB2 -0.28 -0.13 0.07 -0.04 2.09 1.70 1uz4A1 GLU 330 HB3 0.21 -0.05 -0.00 -0.04 1.99 2.10 1uz4A1 GLU 330 HG2 0.33 0.12 0.08 -0.04 2.34 2.83 1uz4A1 GLU 330 HG3 -0.73 -0.00 -0.27 -0.04 2.34 1.30 1uz4A1 PHE 331 H -0.14 0.28 0.24 -0.55 8.34 8.18 1uz4A1 PHE 331 HA -1.38 0.19 0.39 -0.75 4.62 3.07 1uz4A1 PHE 331 HB2 -0.50 -0.01 0.22 -0.04 3.15 2.81 1uz4A1 PHE 331 HB3 -0.51 0.10 0.19 -0.04 3.06 2.80 1uz4A1 PHE 331 HD2 -0.44 0.01 -0.21 -0.04 7.28 6.60 1uz4A1 PHE 331 HE2 -0.65 -0.00 -0.17 -0.04 7.38 6.52 1uz4A1 PHE 331 HZ -1.35 0.05 -0.09 -0.04 7.32 5.89 1uz4A1 GLY 332 H -0.98 0.32 0.33 -0.55 8.43 7.55 1uz4A1 GLY 332 HA2 0.03 0.12 0.64 -0.51 4.01 4.29 1uz4A1 GLY 332 HA3 -0.10 0.22 0.43 -0.51 4.01 4.04 1uz4A1 LEU 333 H 0.23 0.41 0.27 -0.55 8.37 8.74 1uz4A1 LEU 333 HA 0.21 -0.01 0.71 -0.75 4.35 4.51 1uz4A1 LEU 333 HB2 -0.06 0.03 -0.23 -0.04 1.64 1.34 1uz4A1 LEU 333 HB3 -0.08 0.00 -0.03 -0.04 1.64 1.50 1uz4A1 LEU 333 HG -0.22 0.10 -0.03 -0.04 1.64 1.45 1uz4A1 LEU 333 HD13 -0.62 -0.03 0.06 -0.04 0.93 0.30 1uz4A1 LEU 333 HD23 -0.67 -0.02 -0.24 -0.04 0.89 -0.07 1uz4A1 ASP 334 H 0.20 -0.01 0.12 -0.55 8.40 8.16 1uz4A1 ASP 334 HA 0.05 0.35 0.46 -0.75 4.63 4.73 1uz4A1 ASP 334 HB2 0.11 -0.06 0.06 -0.04 2.71 2.77 1uz4A1 ASP 334 HB3 -0.02 0.11 0.14 -0.04 2.70 2.89 1uz4A1 ARG 335 H 0.00 0.37 0.22 -0.55 8.46 8.50 1uz4A1 ARG 335 HA 0.00 -0.03 0.67 -0.75 4.34 4.23 1uz4A1 ARG 335 HB2 -0.04 0.17 0.03 -0.04 1.90 2.01 1uz4A1 ARG 335 HB3 -0.01 0.02 0.08 -0.04 1.80 1.85 1uz4A1 ARG 335 HG2 0.04 -0.11 0.00 -0.04 1.67 1.56 1uz4A1 ARG 335 HG3 0.04 0.17 0.11 -0.04 1.67 1.94 1uz4A1 ARG 335 HD2 0.14 0.05 -0.12 -0.04 3.22 3.26 1uz4A1 ARG 335 HD3 0.02 -0.03 -0.28 -0.04 3.22 2.89 1uz4A1 ASP 336 H 0.00 0.70 0.31 -0.55 8.40 8.86 1uz4A1 ASP 336 HA 0.07 -0.05 0.29 -0.75 4.63 4.18 1uz4A1 ASP 336 HB2 0.01 0.07 0.17 -0.04 2.71 2.92 1uz4A1 ASP 336 HB3 0.06 0.06 0.08 -0.04 2.70 2.85 1uz4A1 MET 337 H -0.03 0.10 0.26 -0.55 8.47 8.25 1uz4A1 MET 337 HA -0.09 0.25 0.47 -0.75 4.52 4.40 1uz4A1 MET 337 HB2 -0.05 0.10 -0.07 -0.04 2.15 2.09 1uz4A1 MET 337 HB3 -0.07 0.03 0.23 -0.04 2.03 2.18 1uz4A1 MET 337 HG2 -0.01 -0.13 -0.06 -0.04 2.63 2.38 1uz4A1 MET 337 HG3 -0.03 0.03 0.02 -0.04 2.56 2.54 1uz4A1 MET 337 HE3 -0.06 0.04 0.12 -0.04 2.10 2.17 1uz4A1 GLY 338 H -0.06 0.45 -0.28 -0.55 8.43 8.00 1uz4A1 GLY 338 HA2 -0.13 -0.04 0.25 -0.51 4.01 3.58 1uz4A1 GLY 338 HA3 -0.17 0.00 0.44 -0.51 4.01 3.77 1uz4A1 SER 339 H -0.15 0.31 -0.40 -0.55 8.46 7.68 1uz4A1 SER 339 HA -0.36 0.04 0.33 -0.75 4.49 3.75 1uz4A1 SER 339 HB2 -0.11 0.08 0.07 -0.04 3.95 3.95 1uz4A1 SER 339 HB3 -0.09 0.02 0.03 -0.04 3.93 3.84 1uz4A1 TYR 340 H -0.45 0.10 0.15 -0.55 8.29 7.54 1uz4A1 TYR 340 HA -0.21 0.36 0.66 -0.75 4.56 4.62 1uz4A1 TYR 340 HB2 -1.62 -0.01 -0.04 -0.04 3.06 1.35 1uz4A1 TYR 340 HB3 -0.66 0.06 -0.11 -0.04 2.98 2.23 1uz4A1 TYR 340 HD2 -0.23 0.07 -0.25 -0.04 7.15 6.70 1uz4A1 TYR 340 HE2 -0.08 -0.04 -0.05 -0.04 6.85 6.64 1uz4A1 ALA 341 H -0.11 -0.03 -0.02 -0.55 8.40 7.70 1uz4A1 ALA 341 HA 0.12 0.12 0.40 -0.75 4.34 4.23 1uz4A1 ALA 341 HB3 0.05 -0.00 0.08 -0.04 1.41 1.49 1uz4A1 MET 342 H -0.09 0.17 0.20 -0.55 8.47 8.20 1uz4A1 MET 342 HA -0.27 0.14 0.42 -0.75 4.52 4.06 1uz4A1 MET 342 HB2 -1.10 0.04 0.14 -0.04 2.15 1.19 1uz4A1 MET 342 HB3 -0.34 -0.01 0.14 -0.04 2.03 1.77 1uz4A1 MET 342 HG2 -0.28 0.03 -0.17 -0.04 2.63 2.16 1uz4A1 MET 342 HG3 -0.63 -0.06 0.07 -0.04 2.56 1.89 1uz4A1 MET 342 HE3 -0.37 0.00 0.04 -0.04 2.10 1.73 1uz4A1 ASP 343 H -0.06 0.00 -0.26 -0.55 8.40 7.52 1uz4A1 ASP 343 HA -0.06 0.22 0.77 -0.75 4.63 4.81 1uz4A1 ASP 343 HB2 -0.03 0.02 0.13 -0.04 2.71 2.79 1uz4A1 ASP 343 HB3 -0.05 -0.01 0.03 -0.04 2.70 2.63 1uz4A1 SER 344 H -0.03 0.37 -0.42 -0.55 8.46 7.84 1uz4A1 SER 344 HA -0.02 0.05 0.62 -0.75 4.49 4.39 1uz4A1 SER 344 HB2 -0.03 -0.02 0.12 -0.04 3.95 3.97 1uz4A1 SER 344 HB3 -0.03 -0.10 0.06 -0.04 3.93 3.82 1uz4A1 THR 345 H -0.02 0.08 0.20 -0.55 8.28 7.99 1uz4A1 THR 345 HA -0.02 0.20 0.53 -0.75 4.39 4.35 1uz4A1 THR 345 HB -0.03 -0.14 0.17 -0.04 4.32 4.28 1uz4A1 THR 345 HG23 -0.02 0.05 0.07 -0.04 1.22 1.28 1uz4A1 THR 346 H -0.04 0.18 0.13 -0.55 8.28 8.01 1uz4A1 THR 346 HA -0.03 0.13 0.91 -0.75 4.39 4.64 1uz4A1 THR 346 HB -0.09 -0.02 0.19 -0.04 4.32 4.35 1uz4A1 THR 346 HG23 0.00 0.07 -0.14 -0.04 1.22 1.11 1uz4A1 GLU 347 H -0.06 0.16 -0.00 -0.55 8.60 8.16 1uz4A1 GLU 347 HA -0.16 0.13 0.45 -0.75 4.29 3.95 1uz4A1 GLU 347 HB2 -0.19 -0.02 0.11 -0.04 2.09 1.94 1uz4A1 GLU 347 HB3 -0.28 0.10 0.02 -0.04 1.99 1.79 1uz4A1 GLU 347 HG2 -0.10 0.05 0.05 -0.04 2.34 2.29 1uz4A1 GLU 347 HG3 -0.07 -0.12 0.09 -0.04 2.34 2.20 1uz4A1 TYR 348 H 0.01 0.09 -0.09 -0.55 8.29 7.75 1uz4A1 TYR 348 HA -0.43 0.12 0.41 -0.75 4.56 3.91 1uz4A1 TYR 348 HB2 -0.09 0.02 0.02 -0.04 3.06 2.96 1uz4A1 TYR 348 HB3 -0.29 0.05 -0.07 -0.04 2.98 2.63 1uz4A1 TYR 348 HD2 -0.27 -0.02 0.00 -0.04 7.15 6.82 1uz4A1 TYR 348 HE2 -0.04 0.07 -0.08 -0.04 6.85 6.75 1uz4A1 ARG 349 H -0.12 0.09 -0.26 -0.55 8.46 7.62 1uz4A1 ARG 349 HA -0.27 0.02 0.36 -0.75 4.34 3.70 1uz4A1 ARG 349 HB2 -0.17 0.24 -0.04 -0.04 1.90 1.89 1uz4A1 ARG 349 HB3 -0.24 -0.00 0.09 -0.04 1.80 1.61 1uz4A1 ARG 349 HG2 -1.18 -0.03 -0.24 -0.04 1.67 0.17 1uz4A1 ARG 349 HG3 -0.71 -0.07 0.04 -0.04 1.67 0.88 1uz4A1 ARG 349 HD2 -0.17 -0.07 -0.02 -0.04 3.22 2.92 1uz4A1 ARG 349 HD3 -0.17 0.00 -0.02 -0.04 3.22 2.99 1uz4A1 ASP 350 H -0.25 0.53 -0.15 -0.55 8.40 7.98 1uz4A1 ASP 350 HA -0.23 0.04 0.31 -0.75 4.63 3.99 1uz4A1 ASP 350 HB2 -0.15 0.06 0.16 -0.04 2.71 2.75 1uz4A1 ASP 350 HB3 -0.07 0.02 -0.03 -0.04 2.70 2.58 1uz4A1 ASN 351 H -0.28 0.52 -0.11 -0.55 8.53 8.11 1uz4A1 ASN 351 HA -0.15 0.07 0.52 -0.75 4.76 4.44 1uz4A1 ASN 351 HB2 -0.53 0.05 0.15 -0.04 2.88 2.50 1uz4A1 ASN 351 HB3 -0.38 -0.01 0.03 -0.04 2.79 2.39 1uz4A1 ASN 351 HD21 -0.24 -0.02 -0.01 -0.04 7.03 6.72 1uz4A1 ASN 351 HD22 -0.45 -0.04 -0.03 -0.04 7.74 7.17 1uz4A1 TYR 352 H -0.23 0.50 -0.21 -0.55 8.29 7.79 1uz4A1 TYR 352 HA -0.00 0.00 0.45 -0.75 4.56 4.26 1uz4A1 TYR 352 HB2 -0.24 0.00 0.08 -0.04 3.06 2.86 1uz4A1 TYR 352 HB3 -0.18 0.13 0.18 -0.04 2.98 3.06 1uz4A1 TYR 352 HD2 0.39 0.01 -0.07 -0.04 7.15 7.44 1uz4A1 TYR 352 HE2 0.26 0.01 -0.08 -0.04 6.85 7.00 1uz4A1 PHE 353 H -0.04 0.67 -0.04 -0.55 8.34 8.39 1uz4A1 PHE 353 HA -0.50 -0.01 0.39 -0.75 4.62 3.74 1uz4A1 PHE 353 HB2 -0.11 0.11 0.15 -0.04 3.15 3.26 1uz4A1 PHE 353 HB3 -0.32 0.00 -0.01 -0.04 3.06 2.69 1uz4A1 PHE 353 HD2 -0.15 -0.05 -0.08 -0.04 7.28 6.96 1uz4A1 PHE 353 HE2 -0.16 -0.07 -0.06 -0.04 7.38 7.05 1uz4A1 PHE 353 HZ -0.19 0.06 0.05 -0.04 7.32 7.19 1uz4A1 ARG 354 H 0.00 0.55 -0.18 -0.55 8.46 8.28 1uz4A1 ARG 354 HA 0.02 0.03 0.39 -0.75 4.34 4.03 1uz4A1 ARG 354 HB2 -0.02 0.11 0.16 -0.04 1.90 2.11 1uz4A1 ARG 354 HB3 0.08 -0.03 -0.01 -0.04 1.80 1.80 1uz4A1 ARG 354 HG2 0.28 -0.01 0.04 -0.04 1.67 1.94 1uz4A1 ARG 354 HG3 0.11 0.14 0.07 -0.04 1.67 1.96 1uz4A1 ARG 354 HD2 0.00 -0.03 -0.01 -0.04 3.22 3.14 1uz4A1 ARG 354 HD3 0.09 0.00 -0.01 -0.04 3.22 3.27 1uz4A1 GLY 355 H -0.16 0.47 -0.18 -0.55 8.43 8.01 1uz4A1 GLY 355 HA2 -0.05 0.02 0.40 -0.51 4.01 3.88 1uz4A1 GLY 355 HA3 -0.52 0.03 0.32 -0.51 4.01 3.33 1uz4A1 VAL 356 H -0.15 0.60 -0.05 -0.55 8.24 8.09 1uz4A1 VAL 356 HA 0.11 -0.01 0.40 -0.75 4.13 3.88 1uz4A1 VAL 356 HB -0.63 0.09 0.15 -0.04 2.12 1.69 1uz4A1 VAL 356 HG13 -0.92 -0.01 -0.11 -0.04 0.97 -0.11 1uz4A1 VAL 356 HG23 -0.34 0.01 0.01 -0.04 0.95 0.58 1uz4A1 PHE 357 H -0.39 0.67 -0.12 -0.55 8.34 7.94 1uz4A1 PHE 357 HA -0.20 0.01 0.32 -0.75 4.62 3.99 1uz4A1 PHE 357 HB2 -1.11 0.09 0.12 -0.04 3.15 2.21 1uz4A1 PHE 357 HB3 -1.41 -0.01 -0.04 -0.04 3.06 1.56 1uz4A1 PHE 357 HD2 -0.55 -0.02 -0.14 -0.04 7.28 6.52 1uz4A1 PHE 357 HE2 -1.08 -0.04 -0.14 -0.04 7.38 6.08 1uz4A1 PHE 357 HZ -0.42 -0.02 -0.06 -0.04 7.32 6.77 1uz4A1 GLU 358 H -0.07 0.65 -0.10 -0.55 8.60 8.53 1uz4A1 GLU 358 HA 0.15 0.03 0.52 -0.75 4.29 4.24 1uz4A1 GLU 358 HB2 0.11 0.10 0.21 -0.04 2.09 2.47 1uz4A1 GLU 358 HB3 0.13 -0.06 -0.00 -0.04 1.99 2.02 1uz4A1 GLU 358 HG2 0.24 -0.04 0.04 -0.04 2.34 2.54 1uz4A1 GLU 358 HG3 0.16 0.09 0.11 -0.04 2.34 2.66 1uz4A1 LEU 359 H 0.15 0.60 -0.09 -0.55 8.37 8.48 1uz4A1 LEU 359 HA 0.11 0.03 0.48 -0.75 4.35 4.22 1uz4A1 LEU 359 HB2 0.16 0.10 0.19 -0.04 1.64 2.05 1uz4A1 LEU 359 HB3 0.09 -0.05 0.02 -0.04 1.64 1.65 1uz4A1 LEU 359 HG 0.34 0.08 0.07 -0.04 1.64 2.09 1uz4A1 LEU 359 HD13 0.04 -0.03 -0.01 -0.04 0.93 0.90 1uz4A1 LEU 359 HD23 0.12 -0.01 0.01 -0.04 0.89 0.97 1uz4A1 MET 360 H 0.14 0.61 -0.07 -0.55 8.47 8.60 1uz4A1 MET 360 HA 0.15 -0.00 0.36 -0.75 4.52 4.28 1uz4A1 MET 360 HB2 0.13 -0.00 0.09 -0.04 2.15 2.32 1uz4A1 MET 360 HB3 0.47 0.07 0.05 -0.04 2.03 2.59 1uz4A1 MET 360 HG2 0.48 0.05 -0.11 -0.04 2.63 3.02 1uz4A1 MET 360 HG3 0.22 -0.06 0.05 -0.04 2.56 2.73 1uz4A1 MET 360 HE3 -0.06 -0.02 -0.06 -0.04 2.10 1.92 1uz4A1 LEU 361 H 0.15 0.62 -0.16 -0.55 8.37 8.44 1uz4A1 LEU 361 HA -0.44 0.06 0.51 -0.75 4.35 3.73 1uz4A1 LEU 361 HB2 -0.37 0.06 0.11 -0.04 1.64 1.40 1uz4A1 LEU 361 HB3 -0.01 0.04 0.14 -0.04 1.64 1.76 1uz4A1 LEU 361 HG -0.14 -0.03 -0.12 -0.04 1.64 1.31 1uz4A1 LEU 361 HD13 -0.61 0.00 0.00 -0.04 0.93 0.28 1uz4A1 LEU 361 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 1uz4A1 ALA 362 H 0.04 0.48 -0.19 -0.55 8.40 8.19 1uz4A1 ALA 362 HA 0.00 0.02 0.44 -0.75 4.34 4.05 1uz4A1 ALA 362 HB3 0.04 0.02 0.12 -0.04 1.41 1.55 1uz4A1 SER 363 H 0.05 0.50 -0.16 -0.55 8.46 8.31 1uz4A1 SER 363 HA 0.03 -0.01 0.40 -0.75 4.49 4.16 1uz4A1 SER 363 HB2 0.06 0.00 0.11 -0.04 3.95 4.09 1uz4A1 SER 363 HB3 0.09 0.19 0.22 -0.04 3.93 4.39 1uz4A1 LEU 364 H 0.04 0.50 -0.13 -0.55 8.37 8.24 1uz4A1 LEU 364 HA 0.04 0.17 0.46 -0.75 4.35 4.27 1uz4A1 LEU 364 HB2 0.11 0.02 0.17 -0.04 1.64 1.90 1uz4A1 LEU 364 HB3 -0.06 0.04 0.21 -0.04 1.64 1.80 1uz4A1 LEU 364 HG -0.01 -0.05 -0.11 -0.04 1.64 1.42 1uz4A1 LEU 364 HD13 0.05 0.08 0.12 -0.04 0.93 1.13 1uz4A1 LEU 364 HD23 0.10 -0.02 0.02 -0.04 0.89 0.95 1uz4A1 GLU 365 H -0.03 0.60 -0.05 -0.55 8.60 8.57 1uz4A1 GLU 365 HA -0.03 0.00 0.49 -0.75 4.29 4.00 1uz4A1 GLU 365 HB2 -0.02 0.13 0.19 -0.04 2.09 2.35 1uz4A1 GLU 365 HB3 -0.02 -0.08 0.03 -0.04 1.99 1.87 1uz4A1 GLU 365 HG2 -0.04 -0.06 0.07 -0.04 2.34 2.27 1uz4A1 GLU 365 HG3 -0.07 0.17 0.10 -0.04 2.34 2.50 1uz4A1 GLN 366 H 0.00 0.40 -0.39 -0.55 8.47 7.93 1uz4A1 GLN 366 HA -0.00 0.06 0.57 -0.75 4.36 4.23 1uz4A1 GLN 366 HB2 0.01 0.08 0.13 -0.04 2.15 2.33 1uz4A1 GLN 366 HB3 0.01 -0.08 0.16 -0.04 2.02 2.06 1uz4A1 GLN 366 HG2 0.00 -0.07 0.02 -0.04 2.40 2.31 1uz4A1 GLN 366 HG3 0.01 0.06 -0.00 -0.04 2.39 2.41 1uz4A1 GLN 366 HE21 0.02 -0.09 -0.07 -0.04 6.97 6.79 1uz4A1 GLN 366 HE22 0.02 -0.01 -0.03 -0.04 7.69 7.63 1uz4A1 GLY 367 H -0.00 0.46 -0.43 -0.55 8.43 7.92 1uz4A1 GLY 367 HA2 -0.01 0.07 0.29 -0.51 4.01 3.85 1uz4A1 GLY 367 HA3 -0.00 -0.02 0.37 -0.51 4.01 3.85 1uz4A1 GLU 368 H 0.02 0.39 -0.04 -0.55 8.60 8.42 1uz4A1 GLU 368 HA 0.02 0.12 0.56 -0.75 4.29 4.24 1uz4A1 GLU 368 HB2 0.03 -0.05 -0.00 -0.04 2.09 2.03 1uz4A1 GLU 368 HB3 0.02 -0.05 0.06 -0.04 1.99 1.98 1uz4A1 GLU 368 HG2 0.01 0.03 -0.04 -0.04 2.34 2.29 1uz4A1 GLU 368 HG3 0.01 0.09 -0.06 -0.04 2.34 2.34 1uz4A1 PRO 369 HA 0.03 0.34 0.38 -0.51 4.44 4.68 1uz4A1 PRO 369 HB2 0.02 -0.02 0.22 -0.04 2.28 2.46 1uz4A1 PRO 369 HB3 0.01 0.03 0.04 -0.04 2.02 2.05 1uz4A1 PRO 369 HG2 0.01 -0.04 -0.02 -0.04 2.03 1.94 1uz4A1 PRO 369 HG3 0.01 0.07 -0.14 -0.04 2.03 1.93 1uz4A1 PRO 369 HD2 0.01 0.01 0.14 -0.04 3.68 3.80 1uz4A1 PRO 369 HD3 0.01 0.16 0.20 -0.04 3.65 3.99 1uz4A1 SER 370 H 0.06 0.13 -0.72 -0.55 8.46 7.39 1uz4A1 SER 370 HA 0.12 0.04 0.72 -0.75 4.49 4.62 1uz4A1 SER 370 HB2 0.12 0.06 0.06 -0.04 3.95 4.15 1uz4A1 SER 370 HB3 0.19 -0.05 0.08 -0.04 3.93 4.11 1uz4A1 ALA 371 H 0.14 0.57 0.43 -0.55 8.40 8.99 1uz4A1 ALA 371 HA 0.12 0.26 0.93 -0.75 4.34 4.88 1uz4A1 ALA 371 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 1uz4A1 GLY 372 H 0.16 0.10 0.17 -0.55 8.43 8.32 1uz4A1 GLY 372 HA2 -0.06 0.05 0.25 -0.51 4.01 3.73 1uz4A1 GLY 372 HA3 -0.15 0.21 1.04 -0.51 4.01 4.60 1uz4A1 TYR 373 H -0.53 0.68 0.25 -0.55 8.29 8.13 1uz4A1 TYR 373 HA 0.00 0.09 0.74 -0.75 4.56 4.63 1uz4A1 TYR 373 HB2 0.10 -0.01 -0.10 -0.04 3.06 3.01 1uz4A1 TYR 373 HB3 -0.13 0.01 -0.28 -0.04 2.98 2.54 1uz4A1 TYR 373 HD2 -0.15 -0.04 -0.28 -0.04 7.15 6.64 1uz4A1 TYR 373 HE2 -1.13 0.05 -0.08 -0.04 6.85 5.66 1uz4A1 ASN 374 H 0.22 0.68 0.13 -0.55 8.53 9.01 1uz4A1 ASN 374 HA 0.10 0.20 0.36 -0.75 4.76 4.66 1uz4A1 ASN 374 HB2 0.13 0.21 -0.05 -0.04 2.88 3.14 1uz4A1 ASN 374 HB3 0.07 -0.09 -0.48 -0.04 2.79 2.25 1uz4A1 ASN 374 HD21 -0.03 -0.01 -0.34 -0.04 7.03 6.60 1uz4A1 ASN 374 HD22 -0.02 0.11 -0.18 -0.04 7.74 7.62 1uz4A1 ILE 375 H 0.08 0.53 0.12 -0.55 8.25 8.43 1uz4A1 ILE 375 HA -0.63 0.08 0.51 -0.75 4.18 3.38 1uz4A1 ILE 375 HB -0.08 0.02 0.15 -0.04 1.89 1.94 1uz4A1 ILE 375 HG12 -1.38 -0.02 0.00 -0.04 1.49 0.05 1uz4A1 ILE 375 HG13 -0.15 0.01 -0.01 -0.04 1.21 1.03 1uz4A1 ILE 375 HG23 -0.21 -0.02 -0.19 -0.04 0.93 0.46 1uz4A1 ILE 375 HD13 -0.02 0.01 -0.02 -0.04 0.88 0.81 1uz4A1 TRP 376 H -0.14 0.66 0.35 -0.55 7.97 8.29 1uz4A1 TRP 376 HA 0.08 0.06 0.93 -0.75 4.62 4.94 1uz4A1 TRP 376 HB2 0.16 0.02 0.09 -0.04 3.23 3.46 1uz4A1 TRP 376 HB3 0.24 -0.05 0.01 -0.04 3.23 3.39 1uz4A1 TRP 376 HD1 0.23 -0.04 -0.42 -0.04 7.22 6.95 1uz4A1 TRP 376 HE1 -0.06 -0.06 -0.12 -0.04 10.20 9.92 1uz4A1 TRP 376 HE3 0.15 0.10 0.03 -0.04 7.59 7.83 1uz4A1 TRP 376 HZ2 -0.41 -0.01 0.05 -0.04 7.44 7.02 1uz4A1 TRP 376 HZ3 0.26 0.02 -0.02 -0.04 7.13 7.36 1uz4A1 TRP 376 HH2 0.05 -0.05 -0.00 -0.04 7.19 7.15 1uz4A1 ALA 377 H 0.06 0.32 0.03 -0.55 8.40 8.26 1uz4A1 ALA 377 HA -0.20 0.27 0.33 -0.75 4.34 3.99 1uz4A1 ALA 377 HB3 -1.07 -0.02 -0.03 -0.04 1.41 0.25 1uz4A1 TRP 378 H -0.01 0.60 0.31 -0.55 7.97 8.32 1uz4A1 TRP 378 HA -0.13 0.12 0.99 -0.75 4.62 4.85 1uz4A1 TRP 378 HB2 -0.13 0.05 0.04 -0.04 3.23 3.15 1uz4A1 TRP 378 HB3 -0.16 0.02 0.17 -0.04 3.23 3.22 1uz4A1 TRP 378 HD1 -0.06 -0.02 -0.20 -0.04 7.22 6.90 1uz4A1 TRP 378 HE1 -0.12 -0.01 -0.06 -0.04 10.20 9.97 1uz4A1 TRP 378 HE3 -0.06 -0.02 0.01 -0.04 7.59 7.47 1uz4A1 TRP 378 HZ2 -0.19 0.01 -0.04 -0.04 7.44 7.18 1uz4A1 TRP 378 HZ3 -0.01 0.01 -0.09 -0.04 7.13 6.99 1uz4A1 TRP 378 HH2 -0.06 0.06 -0.11 -0.04 7.19 7.04 1uz4A1 ASN 379 H -0.79 0.57 0.28 -0.55 8.53 8.05 1uz4A1 ASN 379 HA -0.34 -0.04 0.85 -0.75 4.76 4.47 1uz4A1 ASN 379 HB2 -1.08 0.10 -0.38 -0.04 2.88 1.47 1uz4A1 ASN 379 HB3 -0.72 0.16 -0.11 -0.04 2.79 2.08 1uz4A1 ASN 379 HD21 -0.46 -0.22 -0.05 -0.04 7.03 6.27 1uz4A1 ASN 379 HD22 -1.84 0.20 -0.20 -0.04 7.74 5.87 1uz4A1 GLY 380 H -1.65 0.44 0.31 -0.55 8.43 6.99 1uz4A1 GLY 380 HA2 -1.02 0.06 0.35 -0.51 4.01 2.90 1uz4A1 GLY 380 HA3 -0.50 0.07 0.38 -0.51 4.01 3.46 1uz4A1 TYR 381 H -0.09 0.17 0.23 -0.55 8.29 8.04 1uz4A1 TYR 381 HA 0.03 0.07 0.51 -0.75 4.56 4.42 1uz4A1 TYR 381 HB2 0.07 0.02 0.07 -0.04 3.06 3.18 1uz4A1 TYR 381 HB3 0.05 0.02 0.13 -0.04 2.98 3.14 1uz4A1 TYR 381 HD2 0.09 0.02 -0.02 -0.04 7.15 7.20 1uz4A1 TYR 381 HE2 0.10 0.05 -0.22 -0.04 6.85 6.74 1uz4A1 GLY 382 H -0.02 0.39 -0.18 -0.55 8.43 8.08 1uz4A1 GLY 382 HA2 0.05 -0.00 0.41 -0.51 4.01 3.95 1uz4A1 GLY 382 HA3 -0.03 0.12 0.26 -0.51 4.01 3.85 1uz4A1 ARG 383 H 0.04 0.22 0.21 -0.55 8.46 8.37 1uz4A1 ARG 383 HA 0.13 0.12 0.78 -0.75 4.34 4.62 1uz4A1 ARG 383 HB2 0.02 -0.04 -0.00 -0.04 1.90 1.84 1uz4A1 ARG 383 HB3 0.01 0.02 -0.02 -0.04 1.80 1.77 1uz4A1 ARG 383 HG2 0.07 0.20 -0.45 -0.04 1.67 1.44 1uz4A1 ARG 383 HG3 0.02 -0.03 -0.07 -0.04 1.67 1.56 1uz4A1 ARG 383 HD2 -0.04 -0.05 0.00 -0.04 3.22 3.09 1uz4A1 ARG 383 HD3 0.03 0.15 0.00 -0.04 3.22 3.36 1uz4A1 THR 384 H 0.09 0.25 0.15 -0.55 8.28 8.22 1uz4A1 THR 384 HA 0.01 0.14 0.73 -0.75 4.39 4.52 1uz4A1 THR 384 HB 0.10 0.07 -0.03 -0.04 4.32 4.41 1uz4A1 THR 384 HG23 0.19 0.03 -0.00 -0.04 1.22 1.40 1uz4A1 THR 385 H -0.03 0.17 0.07 -0.55 8.28 7.93 1uz4A1 THR 385 HA -0.06 0.25 0.66 -0.75 4.39 4.49 1uz4A1 THR 385 HB -0.05 0.02 0.18 -0.04 4.32 4.43 1uz4A1 THR 385 HG23 -0.03 0.01 -0.12 -0.04 1.22 1.04 1uz4A1 ARG 386 H -0.05 0.03 -0.03 -0.55 8.46 7.86 1uz4A1 ARG 386 HA -0.07 0.15 0.68 -0.75 4.34 4.35 1uz4A1 ARG 386 HB2 -0.01 -0.09 0.03 -0.04 1.90 1.78 1uz4A1 ARG 386 HB3 0.00 -0.04 0.01 -0.04 1.80 1.73 1uz4A1 ARG 386 HG2 -0.05 -0.12 0.04 -0.04 1.67 1.49 1uz4A1 ARG 386 HG3 -0.01 0.33 -0.03 -0.04 1.67 1.92 1uz4A1 ARG 386 HD2 -0.03 0.02 0.02 -0.04 3.22 3.19 1uz4A1 ARG 386 HD3 -0.06 -0.00 -0.05 -0.04 3.22 3.07 1uz4A1 ALA 387 H -0.09 0.20 0.18 -0.55 8.40 8.14 1uz4A1 ALA 387 HA -0.25 0.12 0.26 -0.75 4.34 3.71 1uz4A1 ALA 387 HB3 -0.07 0.02 0.11 -0.04 1.41 1.43 1uz4A1 ASN 388 H -0.04 0.03 -0.18 -0.55 8.53 7.80 1uz4A1 ASN 388 HA 0.11 0.24 0.60 -0.75 4.76 4.95 1uz4A1 ASN 388 HB2 0.10 0.05 0.12 -0.04 2.88 3.11 1uz4A1 ASN 388 HB3 0.04 0.02 0.02 -0.04 2.79 2.83 1uz4A1 ASN 388 HD21 0.05 0.05 -0.02 -0.04 7.03 7.06 1uz4A1 ASN 388 HD22 -0.02 0.04 -0.01 -0.04 7.74 7.71 1uz4A1 TYR 389 H -0.20 0.42 -0.62 -0.55 8.29 7.34 1uz4A1 TYR 389 HA 0.06 0.05 0.23 -0.75 4.56 4.15 1uz4A1 TYR 389 HB2 -0.01 0.10 -0.07 -0.04 3.06 3.04 1uz4A1 TYR 389 HB3 -0.04 -0.03 0.17 -0.04 2.98 3.04 1uz4A1 TYR 389 HD2 0.15 0.05 -0.14 -0.04 7.15 7.17 1uz4A1 TYR 389 HE2 0.10 -0.04 -0.07 -0.04 6.85 6.80 1uz4A1 TRP 390 H 0.28 -0.04 -0.49 -0.55 7.97 7.17 1uz4A1 TRP 390 HA 0.08 0.16 0.79 -0.75 4.62 4.89 1uz4A1 TRP 390 HB2 0.03 0.03 -0.12 -0.04 3.23 3.13 1uz4A1 TRP 390 HB3 0.03 -0.04 -0.05 -0.04 3.23 3.13 1uz4A1 TRP 390 HD1 0.08 0.02 -0.12 -0.04 7.22 7.16 1uz4A1 TRP 390 HE1 0.10 0.51 0.20 -0.04 10.20 10.96 1uz4A1 TRP 390 HE3 -0.01 0.03 -0.21 -0.04 7.59 7.35 1uz4A1 TRP 390 HZ2 0.03 -0.10 0.04 -0.04 7.44 7.37 1uz4A1 TRP 390 HZ3 -0.06 -0.11 -0.15 -0.04 7.13 6.78 1uz4A1 TRP 390 HH2 -0.01 0.14 -0.15 -0.04 7.19 7.12 1uz4A1 TRP 391 H -0.38 0.21 0.07 -0.55 7.97 7.32 1uz4A1 TRP 391 HA -0.08 -0.04 0.29 -0.75 4.62 4.03 1uz4A1 TRP 391 HB2 -0.22 0.02 0.01 -0.04 3.23 3.00 1uz4A1 TRP 391 HB3 -0.29 0.02 0.04 -0.04 3.23 2.96 1uz4A1 TRP 391 HD1 -0.07 0.06 -0.10 -0.04 7.22 7.06 1uz4A1 TRP 391 HE1 -0.25 0.25 -0.38 -0.04 10.20 9.78 1uz4A1 TRP 391 HE3 0.00 0.04 -0.35 -0.04 7.59 7.24 1uz4A1 TRP 391 HZ2 -0.06 0.07 -0.00 -0.04 7.44 7.40 1uz4A1 TRP 391 HZ3 0.10 0.10 -0.06 -0.04 7.13 7.23 1uz4A1 TRP 391 HH2 0.16 0.21 0.14 -0.04 7.19 7.66 1uz4A1 GLN 392 H -0.71 0.12 0.21 -0.55 8.47 7.55 1uz4A1 GLN 392 HA -0.31 0.18 0.75 -0.75 4.36 4.23 1uz4A1 GLN 392 HB2 -0.32 -0.04 0.03 -0.04 2.15 1.77 1uz4A1 GLN 392 HB3 -0.24 0.03 0.05 -0.04 2.02 1.83 1uz4A1 GLN 392 HG2 0.02 0.09 -0.06 -0.04 2.40 2.41 1uz4A1 GLN 392 HG3 -0.04 0.07 -0.14 -0.04 2.39 2.23 1uz4A1 GLN 392 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.89 1uz4A1 GLN 392 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.62 1uz4A1 GLU 393 H -0.40 0.13 0.11 -0.55 8.60 7.89 1uz4A1 GLU 393 HA -0.77 0.07 0.37 -0.75 4.29 3.20 1uz4A1 GLU 393 HB2 0.00 0.01 0.12 -0.04 2.09 2.19 1uz4A1 GLU 393 HB3 -0.10 -0.01 0.12 -0.04 1.99 1.96 1uz4A1 GLU 393 HG2 0.01 0.02 -0.14 -0.04 2.34 2.19 1uz4A1 GLU 393 HG3 0.18 0.16 -0.02 -0.04 2.34 2.63 1uz4A1 GLY 394 H -0.18 0.19 0.19 -0.55 8.43 8.09 1uz4A1 GLY 394 HA2 -0.11 0.04 0.36 -0.51 4.01 3.79 1uz4A1 GLY 394 HA3 -0.17 0.11 0.70 -0.51 4.01 4.14 1uz4A1 ASP 395 H -0.71 0.54 -0.11 -0.55 8.40 7.58 1uz4A1 ASP 395 HA -0.21 0.01 0.44 -0.75 4.63 4.12 1uz4A1 ASP 395 HB2 -1.11 0.05 0.12 -0.04 2.71 1.73 1uz4A1 ASP 395 HB3 -0.19 0.01 0.09 -0.04 2.70 2.57 1uz4A1 ASP 396 H -0.07 0.08 0.20 -0.55 8.40 8.06 1uz4A1 ASP 396 HA -0.11 0.06 0.45 -0.75 4.63 4.27 1uz4A1 ASP 396 HB2 0.01 0.17 0.18 -0.04 2.71 3.02 1uz4A1 ASP 396 HB3 -0.03 0.06 -0.01 -0.04 2.70 2.68 1uz4A1 PHE 397 H -0.21 0.12 0.17 -0.55 8.34 7.86 1uz4A1 PHE 397 HA -0.15 0.09 0.63 -0.75 4.62 4.44 1uz4A1 PHE 397 HB2 -0.54 -0.03 0.05 -0.04 3.15 2.59 1uz4A1 PHE 397 HB3 -0.96 -0.05 -0.01 -0.04 3.06 2.00 1uz4A1 PHE 397 HD2 -0.10 -0.03 -0.02 -0.04 7.28 7.09 1uz4A1 PHE 397 HE2 0.08 0.10 -0.05 -0.04 7.38 7.46 1uz4A1 PHE 397 HZ 0.17 0.02 -0.01 -0.04 7.32 7.46 1uz4A1 MET 398 H -0.17 0.28 0.13 -0.55 8.47 8.15 1uz4A1 MET 398 HA -0.47 0.23 0.80 -0.75 4.52 4.33 1uz4A1 MET 398 HB2 -0.08 0.17 -0.04 -0.04 2.15 2.15 1uz4A1 MET 398 HB3 -0.18 -0.27 0.00 -0.04 2.03 1.55 1uz4A1 MET 398 HG2 -0.12 0.10 -0.27 -0.04 2.63 2.30 1uz4A1 MET 398 HG3 -0.00 0.16 -0.36 -0.04 2.56 2.32 1uz4A1 MET 398 HE3 0.16 0.05 -0.48 -0.04 2.10 1.79 1uz4A1 GLY 399 H -0.15 0.13 -0.05 -0.55 8.43 7.81 1uz4A1 GLY 399 HA2 0.10 -0.03 0.28 -0.51 4.01 3.85 1uz4A1 GLY 399 HA3 -0.13 -0.08 0.06 -0.51 4.01 3.35 1uz4A1 ASP 400 H -0.09 -0.04 -0.29 -0.55 8.40 7.43 1uz4A1 ASP 400 HA 0.06 0.07 0.53 -0.75 4.63 4.54 1uz4A1 ASP 400 HB2 -0.10 -0.04 0.05 -0.04 2.71 2.58 1uz4A1 ASP 400 HB3 -0.14 0.28 -0.12 -0.04 2.70 2.68 1uz4A1 PRO 401 HA -0.45 0.21 0.47 -0.51 4.44 4.17 1uz4A1 PRO 401 HB2 -1.45 -0.11 0.03 -0.04 2.28 0.71 1uz4A1 PRO 401 HB3 -2.37 0.05 0.07 -0.04 2.02 -0.27 1uz4A1 PRO 401 HG2 -1.74 -0.04 0.03 -0.04 2.03 0.25 1uz4A1 PRO 401 HG3 -1.13 0.11 0.04 -0.04 2.03 1.01 1uz4A1 PRO 401 HD2 -0.41 0.00 0.11 -0.04 3.68 3.34 1uz4A1 PRO 401 HD3 0.10 0.18 0.29 -0.04 3.65 4.18 1uz4A1 PRO 402 HA -0.41 0.12 0.23 -0.51 4.44 3.87 1uz4A1 PRO 402 HB2 -0.15 -0.02 -0.59 -0.04 2.28 1.47 1uz4A1 PRO 402 HB3 -0.09 0.13 -0.21 -0.04 2.02 1.81 1uz4A1 PRO 402 HG2 -0.66 0.01 -0.20 -0.04 2.03 1.15 1uz4A1 PRO 402 HG3 -1.25 0.08 -0.08 -0.04 2.03 0.73 1uz4A1 PRO 402 HD2 -0.56 0.11 0.10 -0.04 3.68 3.29 1uz4A1 PRO 402 HD3 -0.91 0.12 0.15 -0.04 3.65 2.97 1uz4A1 GLN 403 H -0.35 -0.01 -0.62 -0.55 8.47 6.95 1uz4A1 GLN 403 HA 0.09 0.17 0.72 -0.75 4.36 4.59 1uz4A1 GLN 403 HB2 0.17 -0.08 0.11 -0.04 2.15 2.31 1uz4A1 GLN 403 HB3 0.13 0.08 0.03 -0.04 2.02 2.23 1uz4A1 GLN 403 HG2 -0.02 0.04 -0.19 -0.04 2.40 2.18 1uz4A1 GLN 403 HG3 0.16 -0.14 -0.03 -0.04 2.39 2.34 1uz4A1 GLN 403 HE21 -0.58 0.02 -0.07 -0.04 6.97 6.30 1uz4A1 GLN 403 HE22 -0.27 -0.02 -0.09 -0.04 7.69 7.26 1uz4A1 GLU 404 H -0.50 0.54 -0.13 -0.55 8.60 7.96 1uz4A1 GLU 404 HA -0.13 0.14 0.81 -0.75 4.29 4.35 1uz4A1 GLU 404 HB2 -0.26 -0.02 -0.04 -0.04 2.09 1.73 1uz4A1 GLU 404 HB3 -0.22 -0.00 -0.01 -0.04 1.99 1.72 1uz4A1 GLU 404 HG2 -0.15 0.04 0.01 -0.04 2.34 2.20 1uz4A1 GLU 404 HG3 -0.18 -0.00 -0.45 -0.04 2.34 1.67 1uz4A1 GLU 405 H -0.20 0.08 0.08 -0.55 8.60 8.02 1uz4A1 GLU 405 HA -0.22 0.27 0.41 -0.75 4.29 4.00 1uz4A1 GLU 405 HB2 -1.09 -0.11 0.04 -0.04 2.09 0.89 1uz4A1 GLU 405 HB3 -0.90 0.06 -0.17 -0.04 1.99 0.94 1uz4A1 GLU 405 HG2 -0.46 0.02 -0.04 -0.04 2.34 1.82 1uz4A1 GLU 405 HG3 0.18 0.14 -0.05 -0.04 2.34 2.57 1uz4A1 GLN 406 H -0.06 0.78 0.32 -0.55 8.47 8.96 1uz4A1 GLN 406 HA -0.07 -0.07 0.43 -0.75 4.36 3.90 1uz4A1 GLN 406 HB2 0.13 -0.05 0.15 -0.04 2.15 2.34 1uz4A1 GLN 406 HB3 0.08 -0.03 -0.03 -0.04 2.02 2.00 1uz4A1 GLN 406 HG2 -0.06 0.18 0.08 -0.04 2.40 2.56 1uz4A1 GLN 406 HG3 0.12 -0.07 -0.14 -0.04 2.39 2.26 1uz4A1 GLN 406 HE21 -0.19 0.27 -0.33 -0.04 6.97 6.68 1uz4A1 GLN 406 HE22 -0.27 0.28 -0.16 -0.04 7.69 7.50 1uz4A1 GLY 407 H -0.06 -0.04 0.24 -0.55 8.43 8.02 1uz4A1 GLY 407 HA2 0.11 -0.02 0.29 -0.51 4.01 3.88 1uz4A1 GLY 407 HA3 0.14 0.42 0.83 -0.51 4.01 4.88 1uz4A1 MET 408 H -0.13 0.49 0.06 -0.55 8.47 8.34 1uz4A1 MET 408 HA 0.12 0.16 0.43 -0.75 4.52 4.48 1uz4A1 MET 408 HB2 -0.28 0.05 0.09 -0.04 2.15 1.97 1uz4A1 MET 408 HB3 -0.21 -0.10 0.13 -0.04 2.03 1.82 1uz4A1 MET 408 HG2 -1.17 -0.03 -0.29 -0.04 2.63 1.10 1uz4A1 MET 408 HG3 -0.26 0.03 -0.01 -0.04 2.56 2.28 1uz4A1 MET 408 HE3 -0.09 -0.02 0.04 -0.04 2.10 1.98 1uz4A1 TYR 409 H 0.08 -0.06 -0.01 -0.55 8.29 7.75 1uz4A1 TYR 409 HA 0.12 0.33 0.82 -0.75 4.56 5.07 1uz4A1 TYR 409 HB2 0.31 -0.07 -0.12 -0.04 3.06 3.14 1uz4A1 TYR 409 HB3 0.45 0.17 -0.06 -0.04 2.98 3.50 1uz4A1 TYR 409 HD2 0.05 0.12 -0.26 -0.04 7.15 7.02 1uz4A1 TYR 409 HE2 -0.18 -0.09 -0.15 -0.04 6.85 6.38 1uz4A1 GLY 410 H -0.02 -0.12 -0.11 -0.55 8.43 7.63 1uz4A1 GLY 410 HA2 -0.10 0.13 0.27 -0.51 4.01 3.80 1uz4A1 GLY 410 HA3 -0.30 -0.12 0.15 -0.51 4.01 3.23 1uz4A1 VAL 411 H -0.18 0.58 0.44 -0.55 8.24 8.53 1uz4A1 VAL 411 HA -0.11 0.14 0.85 -0.75 4.13 4.26 1uz4A1 VAL 411 HB 0.09 -0.05 0.25 -0.04 2.12 2.37 1uz4A1 VAL 411 HG13 0.09 0.02 -0.06 -0.04 0.97 0.98 1uz4A1 VAL 411 HG23 0.18 0.04 0.03 -0.04 0.95 1.16 1uz4A1 PHE 412 H -0.01 0.21 0.20 -0.55 8.34 8.18 1uz4A1 PHE 412 HA -0.46 0.13 0.67 -0.75 4.62 4.20 1uz4A1 PHE 412 HB2 -0.12 -0.02 0.09 -0.04 3.15 3.06 1uz4A1 PHE 412 HB3 -0.14 0.01 0.08 -0.04 3.06 2.96 1uz4A1 PHE 412 HD2 -0.11 0.13 0.01 -0.04 7.28 7.28 1uz4A1 PHE 412 HE2 -0.05 0.12 -0.07 -0.04 7.38 7.34 1uz4A1 PHE 412 HZ -0.01 0.04 -0.11 -0.04 7.32 7.20 1uz4A1 ASP 413 H -0.23 0.64 0.19 -0.55 8.40 8.46 1uz4A1 ASP 413 HA -0.08 0.10 0.35 -0.75 4.63 4.25 1uz4A1 ASP 413 HB2 -0.08 0.07 0.01 -0.04 2.71 2.67 1uz4A1 ASP 413 HB3 -0.45 -0.11 -0.10 -0.04 2.70 2.00 1uz4A1 THR 414 H 0.04 0.06 -0.35 -0.55 8.28 7.48 1uz4A1 THR 414 HA 0.04 0.18 0.61 -0.75 4.39 4.47 1uz4A1 THR 414 HB -0.01 0.01 0.12 -0.04 4.32 4.40 1uz4A1 THR 414 HG23 0.02 0.01 -0.03 -0.04 1.22 1.18 1uz4A1 ASP 415 H 0.05 0.51 -0.40 -0.55 8.40 8.01 1uz4A1 ASP 415 HA 0.04 0.12 0.66 -0.75 4.63 4.70 1uz4A1 ASP 415 HB2 0.05 0.21 0.24 -0.04 2.71 3.17 1uz4A1 ASP 415 HB3 0.06 -0.15 0.19 -0.04 2.70 2.76 1uz4A1 THR 416 H 0.04 0.49 0.01 -0.55 8.28 8.26 1uz4A1 THR 416 HA 0.06 0.12 0.10 -0.75 4.39 3.93 1uz4A1 THR 416 HB 0.03 -0.06 0.12 -0.04 4.32 4.37 1uz4A1 THR 416 HG23 0.04 0.02 -0.03 -0.04 1.22 1.20 1uz4A1 SER 417 H 0.03 0.08 -0.12 -0.55 8.46 7.91 1uz4A1 SER 417 HA 0.04 0.13 0.31 -0.75 4.49 4.21 1uz4A1 SER 417 HB2 0.00 0.05 0.03 -0.04 3.95 3.99 1uz4A1 SER 417 HB3 0.01 0.04 0.08 -0.04 3.93 4.01 1uz4A1 THR 418 H 0.05 0.09 -0.19 -0.55 8.28 7.69 1uz4A1 THR 418 HA 0.11 0.04 0.42 -0.75 4.39 4.20 1uz4A1 THR 418 HB 0.12 0.14 0.12 -0.04 4.32 4.65 1uz4A1 THR 418 HG23 0.18 0.00 -0.03 -0.04 1.22 1.33 1uz4A1 ILE 419 H 0.13 0.55 -0.10 -0.55 8.25 8.28 1uz4A1 ILE 419 HA 0.19 0.02 0.43 -0.75 4.18 4.06 1uz4A1 ILE 419 HB 0.12 0.08 0.03 -0.04 1.89 2.08 1uz4A1 ILE 419 HG12 0.38 -0.02 -0.03 -0.04 1.49 1.78 1uz4A1 ILE 419 HG13 0.22 -0.09 -0.01 -0.04 1.21 1.29 1uz4A1 ILE 419 HG23 0.12 0.01 -0.10 -0.04 0.93 0.92 1uz4A1 ILE 419 HD13 0.17 -0.01 -0.14 -0.04 0.88 0.86 1uz4A1 ALA 420 H 0.09 0.47 -0.19 -0.55 8.40 8.21 1uz4A1 ALA 420 HA 0.06 0.07 0.44 -0.75 4.34 4.15 1uz4A1 ALA 420 HB3 0.05 0.02 0.09 -0.04 1.41 1.53 1uz4A1 ILE 421 H 0.14 0.37 -0.18 -0.55 8.25 8.03 1uz4A1 ILE 421 HA 0.20 0.03 0.55 -0.75 4.18 4.21 1uz4A1 ILE 421 HB 0.27 0.12 0.19 -0.04 1.89 2.43 1uz4A1 ILE 421 HG12 0.20 -0.02 0.03 -0.04 1.49 1.65 1uz4A1 ILE 421 HG13 0.13 0.07 0.08 -0.04 1.21 1.44 1uz4A1 ILE 421 HG23 0.51 -0.01 -0.14 -0.04 0.93 1.24 1uz4A1 ILE 421 HD13 0.09 -0.01 -0.02 -0.04 0.88 0.90 1uz4A1 MET 422 H 0.21 0.52 -0.02 -0.55 8.47 8.64 1uz4A1 MET 422 HA 0.12 -0.03 0.46 -0.75 4.52 4.31 1uz4A1 MET 422 HB2 0.13 0.11 0.16 -0.04 2.15 2.51 1uz4A1 MET 422 HB3 0.07 0.06 -0.04 -0.04 2.03 2.08 1uz4A1 MET 422 HG2 0.20 -0.04 0.00 -0.04 2.63 2.75 1uz4A1 MET 422 HG3 0.29 0.06 0.04 -0.04 2.56 2.91 1uz4A1 MET 422 HE3 -0.01 0.02 -0.07 -0.04 2.10 2.00 1uz4A1 LYS 423 H 0.07 0.57 -0.10 -0.55 8.42 8.40 1uz4A1 LYS 423 HA -0.00 0.36 0.44 -0.75 4.32 4.37 1uz4A1 LYS 423 HB2 0.03 0.02 0.16 -0.04 1.87 2.04 1uz4A1 LYS 423 HB3 0.02 -0.00 0.16 -0.04 1.79 1.92 1uz4A1 LYS 423 HG2 -0.01 -0.05 -0.09 -0.04 1.46 1.27 1uz4A1 LYS 423 HG3 -0.01 0.10 0.06 -0.04 1.46 1.57 1uz4A1 LYS 423 HD2 0.02 -0.03 0.01 -0.04 1.69 1.65 1uz4A1 LYS 423 HD3 0.01 -0.09 0.00 -0.04 1.68 1.56 1uz4A1 LYS 423 HE2 -0.01 -0.05 0.00 -0.04 2.99 2.90 1uz4A1 LYS 423 HE3 -0.00 0.29 0.09 -0.04 2.99 3.32 1uz4A1 GLU 424 H 0.01 0.43 -0.20 -0.55 8.60 8.30 1uz4A1 GLU 424 HA -0.10 0.02 0.38 -0.75 4.29 3.83 1uz4A1 GLU 424 HB2 -0.10 0.00 0.14 -0.04 2.09 2.10 1uz4A1 GLU 424 HB3 -0.10 0.08 0.22 -0.04 1.99 2.16 1uz4A1 GLU 424 HG2 -0.40 -0.06 -0.02 -0.04 2.34 1.82 1uz4A1 GLU 424 HG3 -0.82 -0.00 -0.32 -0.04 2.34 1.16 1uz4A1 PHE 425 H 0.05 0.57 -0.05 -0.55 8.34 8.35 1uz4A1 PHE 425 HA 0.02 0.01 0.53 -0.75 4.62 4.43 1uz4A1 PHE 425 HB2 -0.65 0.11 0.13 -0.04 3.15 2.70 1uz4A1 PHE 425 HB3 -0.45 -0.03 0.00 -0.04 3.06 2.54 1uz4A1 PHE 425 HD2 0.11 0.11 0.01 -0.04 7.28 7.47 1uz4A1 PHE 425 HE2 0.11 -0.02 -0.06 -0.04 7.38 7.38 1uz4A1 PHE 425 HZ 0.11 -0.02 -0.03 -0.04 7.32 7.35 1uz4A1 ASN 426 H 0.01 0.73 -0.08 -0.55 8.53 8.64 1uz4A1 ASN 426 HA 0.04 -0.07 0.38 -0.75 4.76 4.36 1uz4A1 ASN 426 HB2 -0.02 0.17 0.18 -0.04 2.88 3.17 1uz4A1 ASN 426 HB3 -0.05 0.16 0.09 -0.04 2.79 2.95 1uz4A1 ASN 426 HD21 -0.03 -0.25 -0.23 -0.04 7.03 6.48 1uz4A1 ASN 426 HD22 -0.05 0.51 -0.21 -0.04 7.74 7.95 1uz4A1 ALA 427 H -0.00 0.42 -0.35 -0.55 8.40 7.92 1uz4A1 ALA 427 HA -0.01 0.06 0.51 -0.75 4.34 4.16 1uz4A1 ALA 427 HB3 -0.03 0.02 0.11 -0.04 1.41 1.47 1uz4A1 ARG 428 H 0.00 0.39 -0.04 -0.55 8.46 8.26 1uz4A1 ARG 428 HA -0.04 0.01 0.34 -0.75 4.34 3.90 1uz4A1 ARG 428 HB2 0.02 0.03 0.13 -0.04 1.90 2.04 1uz4A1 ARG 428 HB3 -0.09 -0.06 0.04 -0.04 1.80 1.65 1uz4A1 ARG 428 HG2 -0.26 0.33 0.04 -0.04 1.67 1.75 1uz4A1 ARG 428 HG3 -0.27 -0.09 -0.02 -0.04 1.67 1.25 1uz4A1 ARG 428 HD2 -0.11 -0.06 -0.00 -0.04 3.22 3.00 1uz4A1 ARG 428 HD3 -0.08 0.01 -0.03 -0.04 3.22 3.07 1uz4A1 PHE 429 H 0.30 0.61 -0.26 -0.55 8.34 8.44 1uz4A1 PHE 429 HA 0.04 0.05 0.45 -0.75 4.62 4.41 1uz4A1 PHE 429 HB2 0.04 0.17 0.03 -0.04 3.15 3.35 1uz4A1 PHE 429 HB3 -0.00 -0.03 -0.09 -0.04 3.06 2.90 1uz4A1 PHE 429 HD2 0.12 0.16 -0.04 -0.04 7.28 7.48 1uz4A1 PHE 429 HE2 0.07 -0.04 -0.14 -0.04 7.38 7.24 1uz4A1 PHE 429 HZ 0.12 -0.07 -0.05 -0.04 7.32 7.28 1uz4A1 GLN 430 H 0.07 0.39 -0.48 -0.55 8.47 7.90 1uz4A1 GLN 430 HA 0.01 0.03 0.36 -0.75 4.36 4.00 1uz4A1 GLN 430 HB2 -0.00 0.11 0.14 -0.04 2.15 2.36 1uz4A1 GLN 430 HB3 -0.01 -0.01 0.08 -0.04 2.02 2.05 1uz4A1 GLN 430 HG2 -0.02 0.32 0.13 -0.04 2.40 2.79 1uz4A1 GLN 430 HG3 -0.03 -0.08 0.06 -0.04 2.39 2.29 1uz4A1 GLN 430 HE21 -0.21 0.17 0.00 -0.04 6.97 6.89 1uz4A1 GLN 430 HE22 -0.10 0.04 -0.03 -0.04 7.69 7.57 1uz4A1 PRO 431 HA -0.01 0.20 -0.04 -0.51 4.44 4.08 1uz4A1 PRO 431 HB2 0.01 0.08 0.01 -0.04 2.28 2.34 1uz4A1 PRO 431 HB3 -0.00 0.08 0.00 -0.04 2.02 2.06 1uz4A1 PRO 431 HG2 0.03 0.25 -0.16 -0.04 2.03 2.11 1uz4A1 PRO 431 HG3 0.02 0.11 -0.06 -0.04 2.03 2.05 1uz4A1 PRO 431 HD2 0.01 0.18 0.04 -0.04 3.68 3.87 1uz4A1 PRO 431 HD3 0.00 0.26 0.12 -0.04 3.65 3.98