============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 86 rings ring int. center anis. iso. PHE 11 1.000 41.695 46.195 107.286 -99.200 -91.000 PHE 20 1.000 27.353 43.853 119.800 -99.200 -91.000 TYR 26 0.840 27.007 55.163 114.387 -99.200 -91.000 TYR 33 0.840 33.885 61.831 115.755 -99.200 -91.000 HIS 34 0.900 39.022 53.593 120.361 -99.200 -91.000 PHE 40 1.000 35.437 49.925 109.673 -99.200 -91.000 PHE 42 1.000 28.657 46.252 110.449 -99.200 -91.000 TRP 54 1.040 23.925 38.393 111.417 -99.200 -91.000 TRP6 54 1.020 21.634 38.007 110.999 -99.200 -91.000 PHE 55 1.000 22.908 44.395 112.703 -99.200 -91.000 TYR 79 0.840 42.577 51.105 105.724 -99.200 -91.000 PHE 81 1.000 35.336 58.876 107.277 -99.200 -91.000 HIS 86 0.900 37.671 64.385 103.032 -99.200 -91.000 TYR 96 0.840 20.739 52.527 111.062 -99.200 -91.000 TYR 106 0.840 16.725 57.553 129.448 -99.200 -91.000 HIS 126 0.900 20.216 61.195 131.821 -99.200 -91.000 HIS 128 0.900 24.195 57.613 125.276 -99.200 -91.000 PHE 129 1.000 21.080 52.677 121.884 -99.200 -91.000 PHE 130 1.000 14.961 57.071 117.513 -99.200 -91.000 TYR 132 0.840 7.251 54.934 116.317 -99.200 -91.000 PHE 137 1.000 5.930 45.620 117.665 -99.200 -91.000 HIS 142 0.900 4.516 45.658 125.050 -99.200 -91.000 HIS 150 0.900 20.983 55.561 130.169 -99.200 -91.000 PHE 169 1.000 23.423 55.236 116.706 -99.200 -91.000 PHE 186 1.000 28.399 76.315 138.549 -99.200 -91.000 PHE 191 1.000 28.946 70.263 139.786 -99.200 -91.000 PHE 205 1.000 39.270 77.248 130.049 -99.200 -91.000 HIS 213 0.900 35.338 64.120 123.492 -99.200 -91.000 HIS 214 0.900 32.114 59.324 128.824 -99.200 -91.000 PHE 219 1.000 26.760 66.406 136.793 -99.200 -91.000 PHE 220 1.000 33.821 69.933 133.719 -99.200 -91.000 PHE 222 1.000 41.646 70.039 135.952 -99.200 -91.000 PHE 223 1.000 38.791 66.854 142.348 -99.200 -91.000 TRP 227 1.040 42.629 67.819 145.147 -99.200 -91.000 TRP6 227 1.020 40.696 69.001 145.783 -99.200 -91.000 PHE 259 1.000 25.846 71.977 134.875 -99.200 -91.000 HIS 266 0.900 28.176 70.094 115.204 -99.200 -91.000 PHE 271 1.000 35.750 65.004 119.061 -99.200 -91.000 HIS 273 0.900 41.531 69.275 123.949 -99.200 -91.000 PHE 276 1.000 52.324 74.518 121.105 -99.200 -91.000 TYR 277 0.840 48.129 72.595 128.205 -99.200 -91.000 HIS 278 0.900 55.578 76.990 126.810 -99.200 -91.000 PHE 282 1.000 49.915 66.952 128.194 -99.200 -91.000 HIS 295 0.900 56.414 75.341 121.695 -99.200 -91.000 PHE 310 1.000 49.461 61.677 125.399 -99.200 -91.000 PHE 311 1.000 53.201 67.998 121.025 -99.200 -91.000 TYR 313 0.840 60.930 70.929 121.330 -99.200 -91.000 TYR 328 0.840 61.173 62.205 124.692 -99.200 -91.000 HIS 342 0.900 55.078 73.499 139.019 -99.200 -91.000 TYR 350 0.840 45.761 67.290 124.542 -99.200 -91.000 TRP 380 1.040 35.386 92.242 110.225 -99.200 -91.000 TRP6 380 1.020 34.379 92.255 112.354 -99.200 -91.000 TRP 382 1.040 31.429 86.496 109.358 -99.200 -91.000 TRP6 382 1.020 33.022 86.631 111.087 -99.200 -91.000 HIS 387 0.900 29.349 93.574 93.760 -99.200 -91.000 HIS 395 0.900 27.273 95.521 98.539 -99.200 -91.000 TRP 406 1.040 24.927 75.434 101.511 -99.200 -91.000 TRP6 406 1.020 22.764 75.639 100.595 -99.200 -91.000 HIS 412 0.900 15.987 93.165 102.674 -99.200 -91.000 PHE 414 1.000 18.606 87.110 97.131 -99.200 -91.000 TYR 415 0.840 10.224 93.851 94.551 -99.200 -91.000 TYR 426 0.840 32.872 89.675 92.574 -99.200 -91.000 PHE 441 1.000 31.723 85.805 89.125 -99.200 -91.000 PHE 442 1.000 33.669 81.497 95.788 -99.200 -91.000 HIS 450 0.900 10.750 80.161 105.963 -99.200 -91.000 TYR 453 0.840 10.574 88.007 102.246 -99.200 -91.000 TYR 460 0.840 7.880 83.840 108.826 -99.200 -91.000 TYR 473 0.840 35.687 77.225 104.684 -99.200 -91.000 TYR 492 0.840 24.822 85.308 121.349 -99.200 -91.000 TRP 496 1.040 32.409 93.609 117.179 -99.200 -91.000 TRP6 496 1.020 34.059 95.311 117.165 -99.200 -91.000 TRP 500 1.040 31.922 97.251 101.404 -99.200 -91.000 TRP6 500 1.020 31.907 94.901 101.617 -99.200 -91.000 TYR 524 0.840 11.370 99.743 115.020 -99.200 -91.000 HIS 527 0.900 6.132 99.201 112.581 -99.200 -91.000 HIS 531 0.900 9.124 83.398 117.976 -99.200 -91.000 HIS 548 0.900 29.395 83.636 124.598 -99.200 -91.000 TRP 552 1.040 34.173 86.367 115.622 -99.200 -91.000 TRP6 552 1.020 33.154 88.390 116.303 -99.200 -91.000 HIS 553 0.900 28.668 81.880 118.951 -99.200 -91.000 TRP 560 1.040 12.171 94.739 109.289 -99.200 -91.000 TRP6 560 1.020 10.945 96.122 110.765 -99.200 -91.000 TYR 569 0.840 20.475 93.802 112.858 -99.200 -91.000 TYR 575 0.840 13.934 82.602 110.687 -99.200 -91.000 TRP 578 1.040 13.951 77.480 105.985 -99.200 -91.000 TRP6 578 1.020 15.483 78.949 104.936 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f83A1 CYS 2 HA -0.03 -0.01 0.08 -0.75 4.58 3.87 2f83A1 CYS 2 HB2 0.01 -0.00 -0.40 -0.04 2.97 2.53 2f83A1 CYS 2 HB3 -0.02 0.08 0.05 -0.04 2.97 3.04 2f83A1 VAL 3 H -0.03 0.09 0.04 -0.55 8.24 7.79 2f83A1 VAL 3 HA 0.02 -0.06 0.36 -0.75 4.13 3.69 2f83A1 VAL 3 HB -0.30 0.04 0.03 -0.04 2.12 1.85 2f83A1 VAL 3 HG13 0.02 0.00 -0.03 -0.04 0.97 0.92 2f83A1 VAL 3 HG23 -0.16 -0.02 0.03 -0.04 0.95 0.76 2f83A1 THR 4 H 0.10 -0.05 -0.09 -0.55 8.28 7.69 2f83A1 THR 4 HA 0.25 0.21 0.61 -0.75 4.39 4.70 2f83A1 THR 4 HB 0.29 0.12 0.01 -0.04 4.32 4.69 2f83A1 THR 4 HG23 0.09 -0.01 -0.08 -0.04 1.22 1.19 2f83A1 GLN 5 H 0.21 0.06 0.07 -0.55 8.47 8.26 2f83A1 GLN 5 HA 0.11 -0.15 0.42 -0.75 4.36 3.99 2f83A1 GLN 5 HB2 0.06 -0.03 0.02 -0.04 2.15 2.16 2f83A1 GLN 5 HB3 0.07 -0.06 -0.05 -0.04 2.02 1.93 2f83A1 GLN 5 HG2 0.08 0.48 0.35 -0.04 2.40 3.27 2f83A1 GLN 5 HG3 0.05 -0.06 0.02 -0.04 2.39 2.36 2f83A1 GLN 5 HE21 0.03 -0.04 -0.04 -0.04 6.97 6.88 2f83A1 GLN 5 HE22 0.03 -0.01 -0.02 -0.04 7.69 7.65 2f83A1 LEU 6 H 0.09 -0.04 0.06 -0.55 8.37 7.93 2f83A1 LEU 6 HA 0.02 0.10 0.30 -0.75 4.35 4.02 2f83A1 LEU 6 HB2 0.05 -0.09 -0.02 -0.04 1.64 1.54 2f83A1 LEU 6 HB3 0.03 0.01 0.02 -0.04 1.64 1.66 2f83A1 LEU 6 HG 0.21 0.09 -0.23 -0.04 1.64 1.67 2f83A1 LEU 6 HD13 0.14 0.01 -0.05 -0.04 0.93 0.98 2f83A1 LEU 6 HD23 0.07 -0.05 -0.19 -0.04 0.89 0.67 2f83A1 LEU 7 H -0.07 0.66 0.28 -0.55 8.37 8.69 2f83A1 LEU 7 HA -0.03 0.14 0.87 -0.75 4.35 4.58 2f83A1 LEU 7 HB2 -0.20 -0.07 0.08 -0.04 1.64 1.41 2f83A1 LEU 7 HB3 -0.11 0.00 -0.07 -0.04 1.64 1.42 2f83A1 LEU 7 HG -0.06 -0.00 -0.23 -0.04 1.64 1.31 2f83A1 LEU 7 HD13 -0.11 -0.01 -0.12 -0.04 0.93 0.65 2f83A1 LEU 7 HD23 0.03 0.10 -0.14 -0.04 0.89 0.84 2f83A1 LYS 8 H -0.02 0.18 0.06 -0.55 8.42 8.08 2f83A1 LYS 8 HA -0.01 -0.03 0.46 -0.75 4.32 3.98 2f83A1 LYS 8 HB2 -0.01 0.01 0.14 -0.04 1.87 1.97 2f83A1 LYS 8 HB3 -0.02 0.02 0.16 -0.04 1.79 1.92 2f83A1 LYS 8 HG2 -0.01 -0.01 -0.08 -0.04 1.46 1.32 2f83A1 LYS 8 HG3 -0.00 -0.04 0.03 -0.04 1.46 1.41 2f83A1 LYS 8 HD2 0.00 -0.01 0.00 -0.04 1.69 1.64 2f83A1 LYS 8 HD3 -0.00 0.03 0.02 -0.04 1.68 1.68 2f83A1 LYS 8 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.94 2f83A1 LYS 8 HE3 -0.00 -0.03 -0.00 -0.04 2.99 2.91 2f83A1 ASP 9 H -0.03 0.40 0.54 -0.55 8.40 8.76 2f83A1 ASP 9 HA -0.02 -0.16 0.49 -0.75 4.63 4.18 2f83A1 ASP 9 HB2 -0.02 0.02 -0.89 -0.04 2.71 1.77 2f83A1 ASP 9 HB3 -0.03 -0.03 0.16 -0.04 2.70 2.76 2f83A1 THR 10 H -0.07 0.40 0.31 -0.55 8.28 8.37 2f83A1 THR 10 HA -0.12 0.31 0.88 -0.75 4.39 4.70 2f83A1 THR 10 HB -0.23 -0.04 -0.06 -0.04 4.32 3.95 2f83A1 THR 10 HG23 -0.34 -0.02 -0.21 -0.04 1.22 0.61 2f83A1 CYS 11 H -0.12 0.64 0.25 -0.55 8.50 8.73 2f83A1 CYS 11 HA -0.10 0.08 0.82 -0.75 4.58 4.64 2f83A1 CYS 11 HB2 -0.03 -0.02 -0.04 -0.04 2.97 2.84 2f83A1 CYS 11 HB3 -0.05 -0.00 -0.03 -0.04 2.97 2.84 2f83A1 PHE 12 H 0.01 0.12 0.04 -0.55 8.34 7.96 2f83A1 PHE 12 HA -0.07 0.28 0.65 -0.75 4.62 4.72 2f83A1 PHE 12 HB2 -0.11 -0.05 -0.05 -0.04 3.15 2.89 2f83A1 PHE 12 HB3 -0.09 0.05 -0.22 -0.04 3.06 2.76 2f83A1 PHE 12 HD2 -0.21 0.11 -0.19 -0.04 7.28 6.94 2f83A1 PHE 12 HE2 -0.43 0.10 0.00 -0.04 7.38 7.02 2f83A1 PHE 12 HZ -0.79 0.02 -0.10 -0.04 7.32 6.41 2f83A1 GLU 13 H 0.12 0.45 0.05 -0.55 8.60 8.68 2f83A1 GLU 13 HA 0.04 0.07 0.76 -0.75 4.29 4.41 2f83A1 GLU 13 HB2 0.03 0.12 0.01 -0.04 2.09 2.21 2f83A1 GLU 13 HB3 0.03 -0.04 0.10 -0.04 1.99 2.04 2f83A1 GLU 13 HG2 0.01 -0.02 -0.05 -0.04 2.34 2.24 2f83A1 GLU 13 HG3 0.01 -0.04 -0.08 -0.04 2.34 2.19 2f83A1 GLY 14 H 0.03 0.13 0.14 -0.55 8.43 8.18 2f83A1 GLY 14 HA2 0.01 -0.03 0.32 -0.51 4.01 3.80 2f83A1 GLY 14 HA3 0.01 0.08 0.47 -0.51 4.01 4.06 2f83A1 GLY 15 H -0.00 0.12 0.16 -0.55 8.43 8.16 2f83A1 GLY 15 HA2 -0.02 0.11 0.42 -0.51 4.01 4.01 2f83A1 GLY 15 HA3 -0.04 0.09 0.37 -0.51 4.01 3.93 2f83A1 ASP 16 H -0.00 -0.13 -0.60 -0.55 8.40 7.12 2f83A1 ASP 16 HA -0.02 0.13 0.26 -0.75 4.63 4.25 2f83A1 ASP 16 HB2 -0.00 -0.05 0.00 -0.04 2.71 2.62 2f83A1 ASP 16 HB3 -0.01 -0.01 -0.09 -0.04 2.70 2.55 2f83A1 ILE 17 H -0.04 0.47 0.45 -0.55 8.25 8.59 2f83A1 ILE 17 HA -0.00 0.12 0.85 -0.75 4.18 4.39 2f83A1 ILE 17 HB -0.01 -0.05 0.02 -0.04 1.89 1.81 2f83A1 ILE 17 HG12 -0.34 -0.03 -0.20 -0.04 1.49 0.88 2f83A1 ILE 17 HG13 -0.12 0.06 -0.40 -0.04 1.21 0.70 2f83A1 ILE 17 HG23 -0.07 0.23 -0.24 -0.04 0.93 0.80 2f83A1 ILE 17 HD13 0.12 -0.03 -0.06 -0.04 0.88 0.87 2f83A1 THR 18 H -0.03 0.12 0.31 -0.55 8.28 8.14 2f83A1 THR 18 HA 0.00 0.01 0.34 -0.75 4.39 3.98 2f83A1 THR 18 HB 0.04 0.36 0.19 -0.04 4.32 4.87 2f83A1 THR 18 HG23 -0.01 -0.02 -0.27 -0.04 1.22 0.88 2f83A1 THR 19 H -0.00 0.22 0.22 -0.55 8.28 8.16 2f83A1 THR 19 HA -0.06 0.27 1.22 -0.75 4.39 5.06 2f83A1 THR 19 HB -0.07 -0.03 0.06 -0.04 4.32 4.24 2f83A1 THR 19 HG23 -0.24 0.02 -0.18 -0.04 1.22 0.78 2f83A1 VAL 20 H -0.12 0.79 0.38 -0.55 8.24 8.74 2f83A1 VAL 20 HA 0.04 0.16 0.75 -0.75 4.13 4.33 2f83A1 VAL 20 HB 0.10 -0.04 0.09 -0.04 2.12 2.23 2f83A1 VAL 20 HG13 0.05 0.00 -0.25 -0.04 0.97 0.73 2f83A1 VAL 20 HG23 0.02 0.02 -0.16 -0.04 0.95 0.80 2f83A1 PHE 21 H 0.26 0.28 0.09 -0.55 8.34 8.41 2f83A1 PHE 21 HA 0.10 0.36 1.19 -0.75 4.62 5.52 2f83A1 PHE 21 HB2 -0.01 0.22 -0.09 -0.04 3.15 3.23 2f83A1 PHE 21 HB3 0.03 -0.02 -0.18 -0.04 3.06 2.85 2f83A1 PHE 21 HD2 0.08 0.07 -0.18 -0.04 7.28 7.21 2f83A1 PHE 21 HE2 0.05 -0.08 -0.06 -0.04 7.38 7.25 2f83A1 PHE 21 HZ 0.03 -0.10 -0.02 -0.04 7.32 7.18 2f83A1 THR 22 H 0.30 0.38 0.18 -0.55 8.28 8.59 2f83A1 THR 22 HA 0.09 0.24 0.87 -0.75 4.39 4.83 2f83A1 THR 22 HB 0.25 -0.07 0.07 -0.04 4.32 4.52 2f83A1 THR 22 HG23 0.16 0.01 -0.20 -0.04 1.22 1.15 2f83A1 PRO 23 HA -0.29 0.18 0.54 -0.51 4.44 4.36 2f83A1 PRO 23 HB2 -1.43 -0.01 0.04 -0.04 2.28 0.84 2f83A1 PRO 23 HB3 -0.89 0.05 0.00 -0.04 2.02 1.15 2f83A1 PRO 23 HG2 -0.47 -0.04 -0.06 -0.04 2.03 1.43 2f83A1 PRO 23 HG3 -0.90 0.07 -0.00 -0.04 2.03 1.16 2f83A1 PRO 23 HD2 -0.28 0.06 0.19 -0.04 3.68 3.60 2f83A1 PRO 23 HD3 -0.25 0.23 0.12 -0.04 3.65 3.71 2f83A1 SER 24 H 0.03 0.17 -0.30 -0.55 8.46 7.82 2f83A1 SER 24 HA -0.14 0.17 0.42 -0.75 4.49 4.18 2f83A1 SER 24 HB2 -0.00 -0.09 0.07 -0.04 3.95 3.89 2f83A1 SER 24 HB3 0.22 0.27 -0.10 -0.04 3.93 4.28 2f83A1 ALA 25 H -0.70 0.24 0.07 -0.55 8.40 7.46 2f83A1 ALA 25 HA -0.78 0.13 0.34 -0.75 4.34 3.27 2f83A1 ALA 25 HB3 -0.11 0.05 -0.00 -0.04 1.41 1.30 2f83A1 LYS 26 H -0.11 0.07 -0.20 -0.55 8.42 7.62 2f83A1 LYS 26 HA 0.01 0.12 0.26 -0.75 4.32 3.96 2f83A1 LYS 26 HB2 0.03 -0.02 0.05 -0.04 1.87 1.89 2f83A1 LYS 26 HB3 0.08 -0.03 -0.05 -0.04 1.79 1.75 2f83A1 LYS 26 HG2 0.09 0.06 -0.12 -0.04 1.46 1.46 2f83A1 LYS 26 HG3 0.09 0.03 0.02 -0.04 1.46 1.55 2f83A1 LYS 26 HD2 0.08 -0.03 -0.04 -0.04 1.69 1.65 2f83A1 LYS 26 HD3 0.07 0.07 -0.03 -0.04 1.68 1.76 2f83A1 LYS 26 HE2 0.04 0.04 -0.01 -0.04 2.99 3.02 2f83A1 LYS 26 HE3 0.06 0.01 -0.01 -0.04 2.99 3.01 2f83A1 TYR 27 H 0.04 0.04 -0.54 -0.55 8.29 7.28 2f83A1 TYR 27 HA -0.04 0.15 0.44 -0.75 4.56 4.36 2f83A1 TYR 27 HB2 0.04 -0.06 0.02 -0.04 3.06 3.02 2f83A1 TYR 27 HB3 -0.06 -0.03 0.10 -0.04 2.98 2.94 2f83A1 TYR 27 HD2 -0.00 -0.04 -0.11 -0.04 7.15 6.96 2f83A1 TYR 27 HE2 -0.31 0.04 -0.03 -0.04 6.85 6.51 2f83A1 CYS 28 H -0.11 0.55 0.02 -0.55 8.50 8.41 2f83A1 CYS 28 HA -0.14 0.02 0.26 -0.75 4.58 3.97 2f83A1 CYS 28 HB2 -0.06 -0.03 -0.00 -0.04 2.97 2.84 2f83A1 CYS 28 HB3 -0.51 0.08 0.08 -0.04 2.97 2.58 2f83A1 GLN 29 H -0.47 0.61 -0.53 -0.55 8.47 7.55 2f83A1 GLN 29 HA -0.69 0.01 0.10 -0.75 4.36 3.03 2f83A1 GLN 29 HB2 -0.09 -0.01 -0.06 -0.04 2.15 1.95 2f83A1 GLN 29 HB3 -0.19 0.14 -0.03 -0.04 2.02 1.90 2f83A1 GLN 29 HG2 -0.49 -0.06 -0.16 -0.04 2.40 1.65 2f83A1 GLN 29 HG3 0.30 -0.02 -0.19 -0.04 2.39 2.44 2f83A1 GLN 29 HE21 0.12 -0.19 -0.03 -0.04 6.97 6.84 2f83A1 GLN 29 HE22 -0.03 0.28 0.01 -0.04 7.69 7.91 2f83A1 VAL 30 H -0.26 0.32 -0.21 -0.55 8.24 7.54 2f83A1 VAL 30 HA -0.05 -0.00 0.39 -0.75 4.13 3.71 2f83A1 VAL 30 HB -0.60 0.07 0.17 -0.04 2.12 1.73 2f83A1 VAL 30 HG13 -0.13 -0.00 -0.14 -0.04 0.97 0.66 2f83A1 VAL 30 HG23 -0.03 0.06 0.05 -0.04 0.95 0.99 2f83A1 VAL 31 H -0.34 0.54 -0.13 -0.55 8.24 7.75 2f83A1 VAL 31 HA -0.10 0.04 0.30 -0.75 4.13 3.62 2f83A1 VAL 31 HB -0.15 0.06 0.07 -0.04 2.12 2.06 2f83A1 VAL 31 HG13 -0.00 -0.01 -0.28 -0.04 0.97 0.64 2f83A1 VAL 31 HG23 -0.06 -0.01 -0.10 -0.04 0.95 0.74 2f83A1 CYS 32 H -0.22 0.73 -0.25 -0.55 8.50 8.21 2f83A1 CYS 32 HA -0.04 -0.04 0.35 -0.75 4.58 4.09 2f83A1 CYS 32 HB2 -0.16 -0.05 -0.06 -0.04 2.97 2.66 2f83A1 CYS 32 HB3 -0.12 0.12 -0.01 -0.04 2.97 2.92 2f83A1 THR 33 H -0.12 0.64 -0.12 -0.55 8.28 8.13 2f83A1 THR 33 HA -0.08 -0.13 0.38 -0.75 4.39 3.81 2f83A1 THR 33 HB -0.07 0.17 0.23 -0.04 4.32 4.62 2f83A1 THR 33 HG23 -0.18 -0.00 -0.19 -0.04 1.22 0.81 2f83A1 TYR 34 H 0.12 0.60 -0.05 -0.55 8.29 8.41 2f83A1 TYR 34 HA -0.07 0.03 0.34 -0.75 4.56 4.11 2f83A1 TYR 34 HB2 -0.08 0.06 0.08 -0.04 3.06 3.08 2f83A1 TYR 34 HB3 -0.01 -0.01 0.05 -0.04 2.98 2.97 2f83A1 TYR 34 HD2 -0.21 0.09 0.04 -0.04 7.15 7.03 2f83A1 TYR 34 HE2 -0.87 -0.04 0.01 -0.04 6.85 5.91 2f83A1 HIS 35 H 0.15 0.30 -0.59 -0.55 8.41 7.72 2f83A1 HIS 35 HA 0.06 0.06 0.53 -0.75 4.63 4.52 2f83A1 HIS 35 HB2 0.01 0.11 0.09 -0.04 3.26 3.43 2f83A1 HIS 35 HB3 0.01 0.02 0.18 -0.04 3.20 3.37 2f83A1 HIS 35 HD2 0.02 0.01 -0.02 -0.04 6.97 6.93 2f83A1 HIS 35 HE1 0.02 0.03 -0.04 -0.04 7.75 7.72 2f83A1 PRO 36 HA 0.05 0.13 0.38 -0.51 4.44 4.49 2f83A1 PRO 36 HB2 0.02 -0.03 -0.03 -0.04 2.28 2.19 2f83A1 PRO 36 HB3 -0.01 0.03 0.15 -0.04 2.02 2.15 2f83A1 PRO 36 HG2 -0.31 -0.11 0.01 -0.04 2.03 1.58 2f83A1 PRO 36 HG3 -0.25 0.08 -0.02 -0.04 2.03 1.81 2f83A1 PRO 36 HD2 -1.35 0.02 0.22 -0.04 3.68 2.54 2f83A1 PRO 36 HD3 -0.24 0.21 0.26 -0.04 3.65 3.84 2f83A1 ARG 37 H 0.68 -0.02 -0.23 -0.55 8.46 8.33 2f83A1 ARG 37 HA 0.10 0.35 1.07 -0.75 4.34 5.11 2f83A1 ARG 37 HB2 0.27 -0.08 -0.01 -0.04 1.90 2.04 2f83A1 ARG 37 HB3 0.09 0.01 -0.11 -0.04 1.80 1.75 2f83A1 ARG 37 HG2 0.05 -0.02 0.01 -0.04 1.67 1.66 2f83A1 ARG 37 HG3 0.07 0.11 -0.09 -0.04 1.67 1.72 2f83A1 ARG 37 HD2 0.05 -0.00 -0.11 -0.04 3.22 3.11 2f83A1 ARG 37 HD3 0.10 -0.10 0.01 -0.04 3.22 3.18 2f83A1 CYS 38 H 0.27 0.03 -0.16 -0.55 8.50 8.10 2f83A1 CYS 38 HA -0.12 0.04 0.18 -0.75 4.58 3.93 2f83A1 CYS 38 HB2 -0.30 -0.12 0.12 -0.04 2.97 2.63 2f83A1 CYS 38 HB3 0.00 0.43 0.27 -0.04 2.97 3.63 2f83A1 LEU 39 H 0.01 0.28 -0.02 -0.55 8.37 8.10 2f83A1 LEU 39 HA 0.02 -0.12 0.40 -0.75 4.35 3.89 2f83A1 LEU 39 HB2 0.01 -0.06 -0.03 -0.04 1.64 1.51 2f83A1 LEU 39 HB3 0.00 0.21 -0.82 -0.04 1.64 0.99 2f83A1 LEU 39 HG 0.01 -0.07 -0.05 -0.04 1.64 1.49 2f83A1 LEU 39 HD13 -0.01 -0.02 -0.00 -0.04 0.93 0.85 2f83A1 LEU 39 HD23 -0.06 0.04 -0.09 -0.04 0.89 0.74 2f83A1 LEU 40 H -0.03 0.65 -0.46 -0.55 8.37 7.98 2f83A1 LEU 40 HA -0.18 0.15 0.89 -0.75 4.35 4.45 2f83A1 LEU 40 HB2 -0.18 0.17 -0.23 -0.04 1.64 1.36 2f83A1 LEU 40 HB3 -0.32 -0.11 -0.17 -0.04 1.64 1.00 2f83A1 LEU 40 HG -0.26 0.10 -0.19 -0.04 1.64 1.24 2f83A1 LEU 40 HD13 -0.61 -0.06 -0.30 -0.04 0.93 -0.09 2f83A1 LEU 40 HD23 -1.42 -0.02 0.13 -0.04 0.89 -0.46 2f83A1 PHE 41 H -0.31 0.31 0.24 -0.55 8.34 8.02 2f83A1 PHE 41 HA -0.01 0.09 0.42 -0.75 4.62 4.37 2f83A1 PHE 41 HB2 -0.00 0.06 0.10 -0.04 3.15 3.26 2f83A1 PHE 41 HB3 -0.06 0.34 -0.10 -0.04 3.06 3.21 2f83A1 PHE 41 HD2 -0.00 0.03 -0.56 -0.04 7.28 6.71 2f83A1 PHE 41 HE2 -0.04 0.09 -0.29 -0.04 7.38 7.09 2f83A1 PHE 41 HZ -0.06 -0.04 -0.34 -0.04 7.32 6.84 2f83A1 THR 42 H 0.35 0.52 0.28 -0.55 8.28 8.89 2f83A1 THR 42 HA 0.07 0.08 0.82 -0.75 4.39 4.61 2f83A1 THR 42 HB 0.10 0.02 0.12 -0.04 4.32 4.52 2f83A1 THR 42 HG23 0.02 0.02 -0.15 -0.04 1.22 1.07 2f83A1 PHE 43 H 0.35 0.84 0.27 -0.55 8.34 9.25 2f83A1 PHE 43 HA 0.08 0.36 1.16 -0.75 4.62 5.46 2f83A1 PHE 43 HB2 0.11 -0.04 -0.08 -0.04 3.15 3.10 2f83A1 PHE 43 HB3 0.23 0.14 0.16 -0.04 3.06 3.54 2f83A1 PHE 43 HD2 0.04 -0.04 -0.31 -0.04 7.28 6.93 2f83A1 PHE 43 HE2 0.09 0.11 -0.25 -0.04 7.38 7.29 2f83A1 PHE 43 HZ 0.27 0.07 -0.26 -0.04 7.32 7.36 2f83A1 THR 44 H -0.65 0.51 0.25 -0.55 8.28 7.84 2f83A1 THR 44 HA -0.18 0.21 0.98 -0.75 4.39 4.65 2f83A1 THR 44 HB -0.29 -0.09 0.36 -0.04 4.32 4.26 2f83A1 THR 44 HG23 -0.04 -0.03 -0.22 -0.04 1.22 0.88 2f83A1 ALA 45 H -0.16 0.64 0.36 -0.55 8.40 8.69 2f83A1 ALA 45 HA -0.41 0.09 0.90 -0.75 4.34 4.18 2f83A1 ALA 45 HB3 0.00 -0.01 0.07 -0.04 1.41 1.43 2f83A1 GLU 46 H -0.77 0.09 0.15 -0.55 8.60 7.53 2f83A1 GLU 46 HA -3.58 0.10 0.45 -0.75 4.29 0.50 2f83A1 GLU 46 HB2 -1.40 0.04 0.10 -0.04 2.09 0.78 2f83A1 GLU 46 HB3 -0.72 -0.04 0.18 -0.04 1.99 1.36 2f83A1 GLU 46 HG2 -0.74 -0.03 -0.32 -0.04 2.34 1.22 2f83A1 GLU 46 HG3 -2.58 0.04 -0.07 -0.04 2.34 -0.31 2f83A1 SER 47 H -0.32 0.36 0.22 -0.55 8.46 8.17 2f83A1 SER 47 HA -0.09 0.10 0.48 -0.75 4.49 4.22 2f83A1 SER 47 HB2 -0.01 -0.08 0.11 -0.04 3.95 3.93 2f83A1 SER 47 HB3 -0.13 0.14 -0.26 -0.04 3.93 3.64 2f83A1 PRO 48 HA 0.18 0.17 0.53 -0.51 4.44 4.81 2f83A1 PRO 48 HB2 0.06 0.04 0.04 -0.04 2.28 2.38 2f83A1 PRO 48 HB3 0.08 0.02 0.12 -0.04 2.02 2.20 2f83A1 PRO 48 HG2 0.04 0.02 0.05 -0.04 2.03 2.10 2f83A1 PRO 48 HG3 0.04 0.05 0.07 -0.04 2.03 2.15 2f83A1 PRO 48 HD2 0.02 0.10 0.25 -0.04 3.68 4.01 2f83A1 PRO 48 HD3 0.06 0.14 0.15 -0.04 3.65 3.96 2f83A1 SER 49 H 0.09 0.02 -0.33 -0.55 8.46 7.70 2f83A1 SER 49 HA 0.04 0.03 0.35 -0.75 4.49 4.16 2f83A1 SER 49 HB2 0.05 0.10 -0.16 -0.04 3.95 3.90 2f83A1 SER 49 HB3 0.03 -0.01 0.03 -0.04 3.93 3.95 2f83A1 GLU 50 H 0.22 0.36 -0.56 -0.55 8.60 8.08 2f83A1 GLU 50 HA 0.03 0.09 0.71 -0.75 4.29 4.38 2f83A1 GLU 50 HB2 0.40 -0.00 -0.04 -0.04 2.09 2.41 2f83A1 GLU 50 HB3 0.10 0.08 0.07 -0.04 1.99 2.20 2f83A1 GLU 50 HG2 0.07 0.03 -0.43 -0.04 2.34 1.96 2f83A1 GLU 50 HG3 0.09 0.01 -0.12 -0.04 2.34 2.28 2f83A1 ASP 51 H -0.14 0.08 0.11 -0.55 8.40 7.91 2f83A1 ASP 51 HA -0.30 0.17 0.75 -0.75 4.63 4.50 2f83A1 ASP 51 HB2 -0.25 -0.05 0.17 -0.04 2.71 2.54 2f83A1 ASP 51 HB3 -0.15 0.00 0.07 -0.04 2.70 2.59 2f83A1 PRO 52 HA -1.91 0.05 0.47 -0.51 4.44 2.54 2f83A1 PRO 52 HB2 -0.29 -0.04 0.13 -0.04 2.28 2.03 2f83A1 PRO 52 HB3 -0.34 0.01 0.12 -0.04 2.02 1.76 2f83A1 PRO 52 HG2 -0.25 0.02 0.11 -0.04 2.03 1.88 2f83A1 PRO 52 HG3 -0.51 0.05 0.11 -0.04 2.03 1.64 2f83A1 PRO 52 HD2 -0.31 0.05 0.23 -0.04 3.68 3.62 2f83A1 PRO 52 HD3 -0.38 0.16 0.25 -0.04 3.65 3.64 2f83A1 THR 53 H -0.28 0.02 -0.07 -0.55 8.28 7.40 2f83A1 THR 53 HA -0.02 0.12 0.49 -0.75 4.39 4.23 2f83A1 THR 53 HB -0.01 0.02 0.04 -0.04 4.32 4.32 2f83A1 THR 53 HG23 -0.04 0.01 0.04 -0.04 1.22 1.18 2f83A1 ARG 54 H 0.15 0.14 0.10 -0.55 8.46 8.30 2f83A1 ARG 54 HA 0.06 -0.01 0.32 -0.75 4.34 3.95 2f83A1 ARG 54 HB2 -0.02 -0.11 -0.28 -0.04 1.90 1.45 2f83A1 ARG 54 HB3 -0.02 0.29 0.18 -0.04 1.80 2.21 2f83A1 ARG 54 HG2 -0.02 -0.02 0.06 -0.04 1.67 1.65 2f83A1 ARG 54 HG3 -0.02 -0.03 0.04 -0.04 1.67 1.62 2f83A1 ARG 54 HD2 0.00 0.02 -0.04 -0.04 3.22 3.17 2f83A1 ARG 54 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2f83A1 TRP 55 H 0.12 0.30 -1.01 -0.55 7.97 6.84 2f83A1 TRP 55 HA -0.34 0.02 0.27 -0.75 4.62 3.82 2f83A1 TRP 55 HB2 -0.05 0.31 0.16 -0.04 3.23 3.60 2f83A1 TRP 55 HB3 -0.74 -0.11 -0.09 -0.04 3.23 2.25 2f83A1 TRP 55 HD1 -0.19 -0.04 -0.21 -0.04 7.22 6.74 2f83A1 TRP 55 HE1 -0.09 0.08 0.00 -0.04 10.20 10.15 2f83A1 TRP 55 HE3 0.03 0.02 0.04 -0.04 7.59 7.64 2f83A1 TRP 55 HZ2 -0.04 0.23 -0.16 -0.04 7.44 7.43 2f83A1 TRP 55 HZ3 0.04 -0.06 0.01 -0.04 7.13 7.08 2f83A1 TRP 55 HH2 -0.00 -0.03 -0.08 -0.04 7.19 7.04 2f83A1 PHE 56 H -0.61 0.64 0.23 -0.55 8.34 8.05 2f83A1 PHE 56 HA -0.44 -0.00 0.35 -0.75 4.62 3.77 2f83A1 PHE 56 HB2 0.25 0.26 0.21 -0.04 3.15 3.82 2f83A1 PHE 56 HB3 0.18 0.16 0.18 -0.04 3.06 3.53 2f83A1 PHE 56 HD2 0.26 0.15 -0.16 -0.04 7.28 7.48 2f83A1 PHE 56 HE2 0.15 0.00 -0.11 -0.04 7.38 7.38 2f83A1 PHE 56 HZ -0.01 -0.02 -0.07 -0.04 7.32 7.18 2f83A1 THR 57 H -0.23 0.34 -0.18 -0.55 8.28 7.66 2f83A1 THR 57 HA -0.50 0.19 0.66 -0.75 4.39 3.98 2f83A1 THR 57 HB -0.13 0.50 0.24 -0.04 4.32 4.89 2f83A1 THR 57 HG23 -0.14 -0.04 -0.08 -0.04 1.22 0.92 2f83A1 CYS 58 H -0.22 0.89 0.41 -0.55 8.50 9.04 2f83A1 CYS 58 HA 0.13 0.14 0.92 -0.75 4.58 5.02 2f83A1 CYS 58 HB2 0.27 -0.09 -0.08 -0.04 2.97 3.03 2f83A1 CYS 58 HB3 0.04 -0.02 -0.08 -0.04 2.97 2.87 2f83A1 VAL 59 H 0.08 0.59 0.27 -0.55 8.24 8.63 2f83A1 VAL 59 HA -0.02 0.15 0.96 -0.75 4.13 4.46 2f83A1 VAL 59 HB 0.06 0.02 0.23 -0.04 2.12 2.38 2f83A1 VAL 59 HG13 0.01 -0.01 -0.21 -0.04 0.97 0.72 2f83A1 VAL 59 HG23 -0.03 -0.01 -0.07 -0.04 0.95 0.81 2f83A1 LEU 60 H -0.03 0.65 0.38 -0.55 8.37 8.82 2f83A1 LEU 60 HA 0.01 0.15 0.71 -0.75 4.35 4.48 2f83A1 LEU 60 HB2 -0.17 -0.07 0.13 -0.04 1.64 1.49 2f83A1 LEU 60 HB3 -0.23 0.06 0.02 -0.04 1.64 1.45 2f83A1 LEU 60 HG -0.05 0.00 -0.09 -0.04 1.64 1.46 2f83A1 LEU 60 HD13 -0.09 -0.00 -0.13 -0.04 0.93 0.67 2f83A1 LEU 60 HD23 -0.07 -0.01 -0.19 -0.04 0.89 0.58 2f83A1 LYS 61 H -0.00 0.39 -0.00 -0.55 8.42 8.24 2f83A1 LYS 61 HA -0.05 0.21 0.77 -0.75 4.32 4.51 2f83A1 LYS 61 HB2 -0.11 -0.10 -0.28 -0.04 1.87 1.33 2f83A1 LYS 61 HB3 -0.07 0.04 -0.16 -0.04 1.79 1.56 2f83A1 LYS 61 HG2 0.00 -0.05 -0.42 -0.04 1.46 0.96 2f83A1 LYS 61 HG3 0.03 -0.03 -0.45 -0.04 1.46 0.98 2f83A1 LYS 61 HD2 0.04 -0.12 -0.22 -0.04 1.69 1.35 2f83A1 LYS 61 HD3 0.03 0.21 -0.27 -0.04 1.68 1.60 2f83A1 LYS 61 HE2 0.09 -0.08 -0.07 -0.04 2.99 2.89 2f83A1 LYS 61 HE3 0.14 0.03 -0.01 -0.04 2.99 3.11 2f83A1 ASP 62 H -0.05 0.70 0.30 -0.55 8.40 8.80 2f83A1 ASP 62 HA -0.06 0.22 0.71 -0.75 4.63 4.75 2f83A1 ASP 62 HB2 -0.03 0.24 -0.11 -0.04 2.71 2.76 2f83A1 ASP 62 HB3 -0.02 -0.11 -0.07 -0.04 2.70 2.47 2f83A1 SER 63 H -0.04 0.35 0.20 -0.55 8.46 8.42 2f83A1 SER 63 HA -0.02 0.02 0.59 -0.75 4.49 4.32 2f83A1 SER 63 HB2 -0.03 -0.09 0.16 -0.04 3.95 3.95 2f83A1 SER 63 HB3 -0.05 0.02 -0.22 -0.04 3.93 3.63 2f83A1 VAL 64 H -0.01 0.08 0.16 -0.55 8.24 7.92 2f83A1 VAL 64 HA -0.01 0.15 0.57 -0.75 4.13 4.08 2f83A1 VAL 64 HB -0.01 0.02 0.08 -0.04 2.12 2.17 2f83A1 VAL 64 HG13 -0.01 -0.02 0.13 -0.04 0.97 1.04 2f83A1 VAL 64 HG23 -0.01 0.02 0.09 -0.04 0.95 1.01 2f83A1 THR 65 H -0.01 0.15 0.11 -0.55 8.28 7.98 2f83A1 THR 65 HA -0.01 0.00 0.37 -0.75 4.39 4.00 2f83A1 THR 65 HB -0.00 -0.03 0.05 -0.04 4.32 4.30 2f83A1 THR 65 HG23 -0.00 -0.04 -0.35 -0.04 1.22 0.78 2f83A1 GLU 66 H -0.02 0.33 -1.83 -0.55 8.60 6.53 2f83A1 GLU 66 HA -0.02 0.14 0.22 -0.75 4.29 3.87 2f83A1 GLU 66 HB2 -0.03 0.19 0.03 -0.04 2.09 2.24 2f83A1 GLU 66 HB3 -0.03 0.01 0.17 -0.04 1.99 2.10 2f83A1 GLU 66 HG2 -0.02 0.06 -0.03 -0.04 2.34 2.31 2f83A1 GLU 66 HG3 -0.02 -0.16 -0.38 -0.04 2.34 1.74 2f83A1 THR 67 H -0.03 0.29 -0.25 -0.55 8.28 7.74 2f83A1 THR 67 HA -0.04 0.16 0.50 -0.75 4.39 4.25 2f83A1 THR 67 HB 0.06 0.12 -0.17 -0.04 4.32 4.29 2f83A1 THR 67 HG23 0.03 -0.01 -0.31 -0.04 1.22 0.88 2f83A1 LEU 68 H -0.07 0.25 0.10 -0.55 8.37 8.10 2f83A1 LEU 68 HA 0.02 0.18 0.73 -0.75 4.35 4.52 2f83A1 LEU 68 HB2 -0.37 -0.06 -0.22 -0.04 1.64 0.96 2f83A1 LEU 68 HB3 0.17 -0.04 -0.13 -0.04 1.64 1.60 2f83A1 LEU 68 HG 0.01 0.27 -0.16 -0.04 1.64 1.73 2f83A1 LEU 68 HD13 -0.05 -0.02 -0.10 -0.04 0.93 0.73 2f83A1 LEU 68 HD23 -0.10 -0.03 -0.46 -0.04 0.89 0.26 2f83A1 PRO 69 HA 0.08 0.01 0.54 -0.51 4.44 4.56 2f83A1 PRO 69 HB2 0.04 -0.03 0.13 -0.04 2.28 2.37 2f83A1 PRO 69 HB3 0.03 0.04 0.10 -0.04 2.02 2.15 2f83A1 PRO 69 HG2 0.03 0.03 0.09 -0.04 2.03 2.14 2f83A1 PRO 69 HG3 0.04 0.03 0.05 -0.04 2.03 2.11 2f83A1 PRO 69 HD2 0.06 0.22 0.25 -0.04 3.68 4.18 2f83A1 PRO 69 HD3 0.04 0.16 0.20 -0.04 3.65 4.01 2f83A1 ARG 70 H 0.04 0.07 0.23 -0.55 8.46 8.25 2f83A1 ARG 70 HA -0.20 0.22 0.60 -0.75 4.34 4.21 2f83A1 ARG 70 HB2 -0.05 -0.06 0.04 -0.04 1.90 1.78 2f83A1 ARG 70 HB3 -0.18 -0.00 0.03 -0.04 1.80 1.60 2f83A1 ARG 70 HG2 -0.05 0.08 -0.04 -0.04 1.67 1.63 2f83A1 ARG 70 HG3 0.06 -0.03 0.11 -0.04 1.67 1.76 2f83A1 ARG 70 HD2 -0.02 -0.04 -0.02 -0.04 3.22 3.10 2f83A1 ARG 70 HD3 -0.13 0.01 -0.06 -0.04 3.22 3.00 2f83A1 VAL 71 H -0.16 0.33 0.23 -0.55 8.24 8.09 2f83A1 VAL 71 HA -0.05 0.03 0.53 -0.75 4.13 3.89 2f83A1 VAL 71 HB -0.03 0.10 -0.09 -0.04 2.12 2.07 2f83A1 VAL 71 HG13 -0.04 0.04 -0.13 -0.04 0.97 0.79 2f83A1 VAL 71 HG23 -0.03 0.03 -0.03 -0.04 0.95 0.87 2f83A1 ASN 72 H -0.04 0.10 0.17 -0.55 8.53 8.22 2f83A1 ASN 72 HA -0.06 0.33 0.79 -0.75 4.76 5.07 2f83A1 ASN 72 HB2 -0.03 -0.04 0.13 -0.04 2.88 2.90 2f83A1 ASN 72 HB3 -0.03 0.00 0.07 -0.04 2.79 2.80 2f83A1 ASN 72 HD21 -0.02 0.02 0.02 -0.04 7.03 7.00 2f83A1 ASN 72 HD22 -0.02 -0.02 0.07 -0.04 7.74 7.72 2f83A1 ARG 73 H -0.04 0.48 -0.08 -0.55 8.46 8.27 2f83A1 ARG 73 HA -0.02 0.04 0.48 -0.75 4.34 4.09 2f83A1 ARG 73 HB2 -0.04 -0.05 -0.29 -0.04 1.90 1.47 2f83A1 ARG 73 HB3 -0.02 0.03 -0.16 -0.04 1.80 1.61 2f83A1 ARG 73 HG2 -0.02 0.05 0.15 -0.04 1.67 1.82 2f83A1 ARG 73 HG3 -0.02 -0.01 -0.12 -0.04 1.67 1.48 2f83A1 ARG 73 HD2 -0.01 -0.01 -0.03 -0.04 3.22 3.13 2f83A1 ARG 73 HD3 -0.01 -0.02 -0.09 -0.04 3.22 3.05 2f83A1 THR 74 H -0.01 0.15 0.07 -0.55 8.28 7.93 2f83A1 THR 74 HA -0.01 0.00 0.43 -0.75 4.39 4.05 2f83A1 THR 74 HB 0.00 0.04 0.10 -0.04 4.32 4.42 2f83A1 THR 74 HG23 -0.00 0.00 -0.08 -0.04 1.22 1.10 2f83A1 ALA 75 H -0.01 0.11 0.20 -0.55 8.40 8.15 2f83A1 ALA 75 HA -0.02 -0.01 0.31 -0.75 4.34 3.87 2f83A1 ALA 75 HB3 -0.04 0.08 0.01 -0.04 1.41 1.42 2f83A1 ALA 76 H -0.01 0.24 -0.08 -0.55 8.40 8.00 2f83A1 ALA 76 HA 0.01 0.31 0.97 -0.75 4.34 4.88 2f83A1 ALA 76 HB3 -0.03 0.03 -0.15 -0.04 1.41 1.22 2f83A1 ILE 77 H 0.19 0.75 0.34 -0.55 8.25 8.99 2f83A1 ILE 77 HA 0.03 0.16 1.17 -0.75 4.18 4.79 2f83A1 ILE 77 HB 0.27 -0.09 0.15 -0.04 1.89 2.18 2f83A1 ILE 77 HG12 0.24 0.09 -0.07 -0.04 1.49 1.70 2f83A1 ILE 77 HG13 0.12 -0.06 -0.04 -0.04 1.21 1.18 2f83A1 ILE 77 HG23 0.07 0.01 -0.12 -0.04 0.93 0.84 2f83A1 ILE 77 HD13 0.04 -0.01 -0.33 -0.04 0.88 0.54 2f83A1 SER 78 H -0.12 0.42 0.35 -0.55 8.46 8.57 2f83A1 SER 78 HA -0.28 0.05 1.00 -0.75 4.49 4.51 2f83A1 SER 78 HB2 -0.51 -0.06 0.03 -0.04 3.95 3.38 2f83A1 SER 78 HB3 -0.48 0.20 0.24 -0.04 3.93 3.84 2f83A1 GLY 79 H -1.31 0.61 0.21 -0.55 8.43 7.40 2f83A1 GLY 79 HA2 -0.28 0.11 0.37 -0.51 4.01 3.70 2f83A1 GLY 79 HA3 -0.45 -0.03 0.24 -0.51 4.01 3.25 2f83A1 TYR 80 H 0.08 0.24 0.07 -0.55 8.29 8.13 2f83A1 TYR 80 HA -0.07 0.15 0.88 -0.75 4.56 4.76 2f83A1 TYR 80 HB2 -0.00 0.21 0.06 -0.04 3.06 3.29 2f83A1 TYR 80 HB3 -0.04 0.11 0.12 -0.04 2.98 3.14 2f83A1 TYR 80 HD2 -0.05 0.12 0.01 -0.04 7.15 7.18 2f83A1 TYR 80 HE2 -0.04 -0.00 0.01 -0.04 6.85 6.77 2f83A1 SER 81 H 0.10 0.49 0.03 -0.55 8.46 8.54 2f83A1 SER 81 HA -0.22 0.09 0.41 -0.75 4.49 4.02 2f83A1 SER 81 HB2 -0.07 0.01 0.03 -0.04 3.95 3.88 2f83A1 SER 81 HB3 -0.00 -0.02 -0.18 -0.04 3.93 3.68 2f83A1 PHE 82 H -0.21 0.14 0.07 -0.55 8.34 7.79 2f83A1 PHE 82 HA 0.02 0.21 0.51 -0.75 4.62 4.61 2f83A1 PHE 82 HB2 -0.07 -0.01 0.04 -0.04 3.15 3.07 2f83A1 PHE 82 HB3 -0.00 0.11 0.11 -0.04 3.06 3.24 2f83A1 PHE 82 HD2 0.02 0.05 -0.08 -0.04 7.28 7.23 2f83A1 PHE 82 HE2 0.03 -0.09 -0.05 -0.04 7.38 7.24 2f83A1 PHE 82 HZ 0.03 -0.10 -0.03 -0.04 7.32 7.18 2f83A1 LYS 83 H 0.03 0.09 -0.67 -0.55 8.42 7.31 2f83A1 LYS 83 HA -0.02 0.18 0.50 -0.75 4.32 4.22 2f83A1 LYS 83 HB2 0.00 -0.08 0.08 -0.04 1.87 1.83 2f83A1 LYS 83 HB3 -0.01 0.09 0.00 -0.04 1.79 1.83 2f83A1 LYS 83 HG2 -0.05 0.09 -0.00 -0.04 1.46 1.45 2f83A1 LYS 83 HG3 -0.02 -0.18 0.02 -0.04 1.46 1.24 2f83A1 LYS 83 HD2 0.01 -0.10 -0.05 -0.04 1.69 1.51 2f83A1 LYS 83 HD3 0.00 0.06 -0.03 -0.04 1.68 1.68 2f83A1 LYS 83 HE2 0.04 0.08 -0.12 -0.04 2.99 2.95 2f83A1 LYS 83 HE3 -0.00 0.28 0.04 -0.04 2.99 3.28 2f83A1 GLN 84 H 0.01 0.12 -0.06 -0.55 8.47 7.99 2f83A1 GLN 84 HA -0.02 0.14 0.45 -0.75 4.36 4.18 2f83A1 GLN 84 HB2 -0.03 -0.01 0.08 -0.04 2.15 2.15 2f83A1 GLN 84 HB3 -0.03 -0.02 0.13 -0.04 2.02 2.05 2f83A1 GLN 84 HG2 -0.05 -0.03 0.04 -0.04 2.40 2.32 2f83A1 GLN 84 HG3 -0.02 -0.03 0.04 -0.04 2.39 2.34 2f83A1 GLN 84 HE21 0.04 0.13 0.09 -0.04 6.97 7.19 2f83A1 GLN 84 HE22 0.00 -0.03 0.07 -0.04 7.69 7.69 2f83A1 CYS 85 H 0.00 0.26 -1.25 -0.55 8.50 6.96 2f83A1 CYS 85 HA -0.09 0.08 0.81 -0.75 4.58 4.63 2f83A1 CYS 85 HB2 0.07 0.27 -0.04 -0.04 2.97 3.23 2f83A1 CYS 85 HB3 -0.15 0.00 -0.10 -0.04 2.97 2.68 2f83A1 SER 86 H -0.52 0.02 0.03 -0.55 8.46 7.44 2f83A1 SER 86 HA -0.18 0.12 0.52 -0.75 4.49 4.20 2f83A1 SER 86 HB2 -0.42 -0.07 0.22 -0.04 3.95 3.65 2f83A1 SER 86 HB3 -0.14 -0.04 0.16 -0.04 3.93 3.86 2f83A1 HIS 87 H -0.20 0.00 0.11 -0.55 8.41 7.78 2f83A1 HIS 87 HA -0.02 -0.13 0.42 -0.75 4.63 4.15 2f83A1 HIS 87 HB2 -0.07 0.10 0.04 -0.04 3.26 3.29 2f83A1 HIS 87 HB3 -0.04 -0.08 0.13 -0.04 3.20 3.17 2f83A1 HIS 87 HD2 -0.03 -0.02 0.02 -0.04 6.97 6.89 2f83A1 HIS 87 HE1 -0.11 0.04 -0.07 -0.04 7.75 7.57 2f83A1 GLN 88 H 0.03 -0.11 0.09 -0.55 8.47 7.94 2f83A1 GLN 88 HA -0.04 0.27 0.32 -0.75 4.36 4.15 2f83A1 GLN 88 HB2 0.00 -0.11 -0.01 -0.04 2.15 2.00 2f83A1 GLN 88 HB3 -0.04 -0.09 0.19 -0.04 2.02 2.04 2f83A1 GLN 88 HG2 -0.01 0.07 0.15 -0.04 2.40 2.58 2f83A1 GLN 88 HG3 0.04 -0.14 0.11 -0.04 2.39 2.37 2f83A1 GLN 88 HE21 -0.03 -0.32 0.18 -0.04 6.97 6.76 2f83A1 GLN 88 HE22 -0.01 0.00 -0.01 -0.04 7.69 7.63 2f83A1 ILE 89 H -0.06 0.00 0.15 -0.55 8.25 7.79 2f83A1 ILE 89 HA -0.08 0.18 0.30 -0.75 4.18 3.83 2f83A1 ILE 89 HB 0.04 -1.29 0.33 -0.04 1.89 0.92 2f83A1 ILE 89 HG12 -0.14 0.10 0.19 -0.04 1.49 1.60 2f83A1 ILE 89 HG13 -0.07 0.00 0.24 -0.04 1.21 1.33 2f83A1 ILE 89 HG23 0.12 0.06 -0.05 -0.04 0.93 1.01 2f83A1 ILE 89 HD13 -0.07 -0.03 -0.17 -0.04 0.88 0.57 2f83A1 SER 90 H 0.04 -0.08 0.15 -0.55 8.46 8.03 2f83A1 SER 90 HA 0.05 0.03 0.30 -0.75 4.49 4.12 2f83A1 SER 90 HB2 -0.01 0.16 0.37 -0.04 3.95 4.43 2f83A1 SER 90 HB3 0.01 0.03 0.24 -0.04 3.93 4.17 2f83A1 ALA 91 H 0.09 0.06 0.16 -0.55 8.40 8.16 2f83A1 ALA 91 HA 0.06 0.10 0.33 -0.75 4.34 4.08 2f83A1 ALA 91 HB3 -0.07 0.03 0.13 -0.04 1.41 1.46 2f83A1 CYS 92 H 0.06 0.01 -1.09 -0.55 8.50 6.94 2f83A1 CYS 92 HA 0.06 0.23 1.07 -0.75 4.58 5.18 2f83A1 CYS 92 HB2 0.05 -0.10 -0.25 -0.04 2.97 2.63 2f83A1 CYS 92 HB3 0.06 0.02 -0.24 -0.04 2.97 2.77 2f83A1 ASN 93 H 0.17 0.26 0.11 -0.55 8.53 8.52 2f83A1 ASN 93 HA 0.11 0.18 0.91 -0.75 4.76 5.21 2f83A1 ASN 93 HB2 0.21 -0.08 0.05 -0.04 2.88 3.02 2f83A1 ASN 93 HB3 0.22 0.10 -0.04 -0.04 2.79 3.03 2f83A1 ASN 93 HD21 0.58 -0.00 0.09 -0.04 7.03 7.65 2f83A1 ASN 93 HD22 0.33 0.04 0.16 -0.04 7.74 8.23 2f83A1 LYS 94 H 0.07 0.22 0.09 -0.55 8.42 8.25 2f83A1 LYS 94 HA 0.10 0.14 0.45 -0.75 4.32 4.26 2f83A1 LYS 94 HB2 0.03 -0.03 0.03 -0.04 1.87 1.86 2f83A1 LYS 94 HB3 0.04 -0.00 0.10 -0.04 1.79 1.88 2f83A1 LYS 94 HG2 0.04 0.01 -0.04 -0.04 1.46 1.43 2f83A1 LYS 94 HG3 0.04 0.01 -0.01 -0.04 1.46 1.45 2f83A1 LYS 94 HD2 0.00 -0.01 0.00 -0.04 1.69 1.64 2f83A1 LYS 94 HD3 0.00 -0.04 -0.01 -0.04 1.68 1.60 2f83A1 LYS 94 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.89 2f83A1 LYS 94 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.96 2f83A1 ASP 95 H 0.10 -0.10 -0.60 -0.55 8.40 7.26 2f83A1 ASP 95 HA -0.08 0.00 0.23 -0.75 4.63 4.02 2f83A1 ASP 95 HB2 0.18 0.02 -0.05 -0.04 2.71 2.82 2f83A1 ASP 95 HB3 -0.62 -0.01 -0.10 -0.04 2.70 1.93 2f83A1 ILE 96 H -0.30 0.18 0.10 -0.55 8.25 7.68 2f83A1 ILE 96 HA -0.01 0.23 0.80 -0.75 4.18 4.45 2f83A1 ILE 96 HB -0.04 -0.06 0.09 -0.04 1.89 1.83 2f83A1 ILE 96 HG12 0.06 0.30 -0.28 -0.04 1.49 1.53 2f83A1 ILE 96 HG13 0.06 -0.12 -0.08 -0.04 1.21 1.02 2f83A1 ILE 96 HG23 0.03 -0.03 -0.19 -0.04 0.93 0.70 2f83A1 ILE 96 HD13 0.24 -0.01 -0.03 -0.04 0.88 1.04 2f83A1 TYR 97 H 0.14 0.64 0.28 -0.55 8.29 8.80 2f83A1 TYR 97 HA -0.04 0.09 0.91 -0.75 4.56 4.77 2f83A1 TYR 97 HB2 -0.19 -0.01 0.15 -0.04 3.06 2.97 2f83A1 TYR 97 HB3 -0.11 0.06 0.02 -0.04 2.98 2.91 2f83A1 TYR 97 HD2 -0.14 0.12 -0.01 -0.04 7.15 7.09 2f83A1 TYR 97 HE2 -0.02 0.03 -0.15 -0.04 6.85 6.67 2f83A1 VAL 98 H 0.02 0.16 0.26 -0.55 8.24 8.13 2f83A1 VAL 98 HA 0.05 0.14 0.79 -0.75 4.13 4.36 2f83A1 VAL 98 HB 0.04 -0.00 0.12 -0.04 2.12 2.23 2f83A1 VAL 98 HG13 0.05 -0.00 0.06 -0.04 0.97 1.04 2f83A1 VAL 98 HG23 0.01 0.02 0.07 -0.04 0.95 1.01 2f83A1 ASP 99 H 0.05 0.67 0.46 -0.55 8.40 9.03 2f83A1 ASP 99 HA 0.06 0.32 0.39 -0.75 4.63 4.65 2f83A1 ASP 99 HB2 0.07 0.22 0.02 -0.04 2.71 2.97 2f83A1 ASP 99 HB3 0.08 -0.18 0.11 -0.04 2.70 2.66 2f83A1 LEU 100 H 0.01 0.18 -0.42 -0.55 8.37 7.60 2f83A1 LEU 100 HA -0.04 0.29 1.00 -0.75 4.35 4.85 2f83A1 LEU 100 HB2 -0.02 -0.04 -0.22 -0.04 1.64 1.32 2f83A1 LEU 100 HB3 -0.22 -0.05 -0.17 -0.04 1.64 1.17 2f83A1 LEU 100 HG -0.40 0.02 -0.11 -0.04 1.64 1.11 2f83A1 LEU 100 HD13 0.10 0.06 -0.19 -0.04 0.93 0.86 2f83A1 LEU 100 HD23 -0.29 -0.02 -0.05 -0.04 0.89 0.50 2f83A1 ASP 101 H -0.07 0.86 0.21 -0.55 8.40 8.85 2f83A1 ASP 101 HA -0.08 0.15 0.88 -0.75 4.63 4.83 2f83A1 ASP 101 HB2 -0.02 0.01 -0.20 -0.04 2.71 2.46 2f83A1 ASP 101 HB3 -0.03 -0.05 0.00 -0.04 2.70 2.58 2f83A1 MET 102 H -0.15 0.21 -0.00 -0.55 8.47 7.98 2f83A1 MET 102 HA -0.28 0.25 0.90 -0.75 4.52 4.64 2f83A1 MET 102 HB2 -0.38 -0.02 0.04 -0.04 2.15 1.75 2f83A1 MET 102 HB3 -0.90 0.07 -0.02 -0.04 2.03 1.14 2f83A1 MET 102 HG2 -0.53 0.04 -0.17 -0.04 2.63 1.93 2f83A1 MET 102 HG3 -0.43 -0.05 -0.20 -0.04 2.56 1.84 2f83A1 MET 102 HE3 -0.72 0.01 -0.09 -0.04 2.10 1.26 2f83A1 LYS 103 H -0.13 0.58 0.21 -0.55 8.42 8.53 2f83A1 LYS 103 HA 0.07 0.11 0.52 -0.75 4.32 4.26 2f83A1 LYS 103 HB2 -0.06 0.03 -0.03 -0.04 1.87 1.78 2f83A1 LYS 103 HB3 -0.07 -0.14 0.06 -0.04 1.79 1.59 2f83A1 LYS 103 HG2 0.02 0.02 -0.02 -0.04 1.46 1.44 2f83A1 LYS 103 HG3 -0.01 0.02 -0.02 -0.04 1.46 1.41 2f83A1 LYS 103 HD2 -0.06 0.00 -0.11 -0.04 1.69 1.48 2f83A1 LYS 103 HD3 -0.03 -0.04 -0.14 -0.04 1.68 1.43 2f83A1 LYS 103 HE2 -0.02 0.00 -0.06 -0.04 2.99 2.86 2f83A1 LYS 103 HE3 -0.01 0.02 -0.06 -0.04 2.99 2.90 2f83A1 GLY 104 H 0.10 0.36 0.22 -0.55 8.43 8.56 2f83A1 GLY 104 HA2 0.13 0.02 0.40 -0.51 4.01 4.05 2f83A1 GLY 104 HA3 0.13 0.09 0.23 -0.51 4.01 3.95 2f83A1 ILE 105 H -0.12 0.47 0.28 -0.55 8.25 8.33 2f83A1 ILE 105 HA -0.02 0.02 0.53 -0.75 4.18 3.96 2f83A1 ILE 105 HB -0.46 0.02 0.24 -0.04 1.89 1.65 2f83A1 ILE 105 HG12 -0.26 0.10 0.27 -0.04 1.49 1.56 2f83A1 ILE 105 HG13 -0.29 -0.01 0.07 -0.04 1.21 0.94 2f83A1 ILE 105 HG23 0.05 0.00 -0.15 -0.04 0.93 0.79 2f83A1 ILE 105 HD13 -0.05 -0.02 0.02 -0.04 0.88 0.79 2f83A1 ASN 106 H 0.04 0.13 0.26 -0.55 8.53 8.41 2f83A1 ASN 106 HA 0.05 0.26 0.63 -0.75 4.76 4.95 2f83A1 ASN 106 HB2 0.02 -0.05 0.19 -0.04 2.88 3.00 2f83A1 ASN 106 HB3 -0.00 0.01 0.02 -0.04 2.79 2.78 2f83A1 ASN 106 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.95 2f83A1 ASN 106 HD22 -0.00 0.02 -0.04 -0.04 7.74 7.68 2f83A1 TYR 107 H 0.08 0.47 0.28 -0.55 8.29 8.56 2f83A1 TYR 107 HA -0.01 0.21 1.00 -0.75 4.56 5.01 2f83A1 TYR 107 HB2 -0.07 -0.03 0.11 -0.04 3.06 3.02 2f83A1 TYR 107 HB3 0.08 -0.01 -0.16 -0.04 2.98 2.85 2f83A1 TYR 107 HD2 -0.03 0.09 -0.04 -0.04 7.15 7.12 2f83A1 TYR 107 HE2 -0.10 0.02 -0.27 -0.04 6.85 6.45 2f83A1 ASN 108 H -0.28 0.28 0.05 -0.55 8.53 8.03 2f83A1 ASN 108 HA -0.16 0.08 0.56 -0.75 4.76 4.49 2f83A1 ASN 108 HB2 -0.62 0.12 -0.26 -0.04 2.88 2.08 2f83A1 ASN 108 HB3 -0.52 -0.10 0.04 -0.04 2.79 2.16 2f83A1 ASN 108 HD21 -0.06 -0.01 0.01 -0.04 7.03 6.92 2f83A1 ASN 108 HD22 -0.09 0.05 0.03 -0.04 7.74 7.69 2f83A1 SER 109 H -0.08 0.23 0.13 -0.55 8.46 8.20 2f83A1 SER 109 HA -0.05 0.35 1.08 -0.75 4.49 5.11 2f83A1 SER 109 HB2 -0.03 -0.01 -0.15 -0.04 3.95 3.72 2f83A1 SER 109 HB3 -0.02 -0.03 0.08 -0.04 3.93 3.92 2f83A1 SER 110 H -0.02 0.73 0.34 -0.55 8.46 8.97 2f83A1 SER 110 HA -0.01 0.10 0.75 -0.75 4.49 4.57 2f83A1 SER 110 HB2 -0.03 0.00 -0.03 -0.04 3.95 3.85 2f83A1 SER 110 HB3 -0.02 0.02 0.10 -0.04 3.93 4.00 2f83A1 VAL 111 H 0.00 0.12 0.18 -0.55 8.24 7.99 2f83A1 VAL 111 HA 0.04 0.15 0.64 -0.75 4.13 4.21 2f83A1 VAL 111 HB 0.01 0.01 0.08 -0.04 2.12 2.18 2f83A1 VAL 111 HG13 0.01 -0.03 -0.00 -0.04 0.97 0.91 2f83A1 VAL 111 HG23 0.03 0.02 -0.07 -0.04 0.95 0.89 2f83A1 ALA 112 H 0.14 0.94 0.41 -0.55 8.40 9.34 2f83A1 ALA 112 HA 0.02 0.09 0.76 -0.75 4.34 4.46 2f83A1 ALA 112 HB3 0.02 0.00 -0.11 -0.04 1.41 1.29 2f83A1 LYS 113 H 0.00 0.17 0.12 -0.55 8.42 8.15 2f83A1 LYS 113 HA 0.08 0.15 0.45 -0.75 4.32 4.24 2f83A1 LYS 113 HB2 0.01 0.00 0.09 -0.04 1.87 1.93 2f83A1 LYS 113 HB3 0.02 0.04 0.11 -0.04 1.79 1.92 2f83A1 LYS 113 HG2 -0.00 0.05 0.04 -0.04 1.46 1.51 2f83A1 LYS 113 HG3 -0.01 -0.05 0.15 -0.04 1.46 1.50 2f83A1 LYS 113 HD2 -0.05 -0.10 -0.07 -0.04 1.69 1.42 2f83A1 LYS 113 HD3 -0.02 0.02 -0.06 -0.04 1.68 1.58 2f83A1 LYS 113 HE2 -0.02 0.04 -0.00 -0.04 2.99 2.97 2f83A1 LYS 113 HE3 -0.03 0.03 0.01 -0.04 2.99 2.96 2f83A1 SER 114 H -0.14 0.15 -0.43 -0.55 8.46 7.50 2f83A1 SER 114 HA -0.11 0.16 0.44 -0.75 4.49 4.23 2f83A1 SER 114 HB2 -0.12 -0.10 0.09 -0.04 3.95 3.79 2f83A1 SER 114 HB3 -0.05 0.29 -0.06 -0.04 3.93 4.07 2f83A1 ALA 115 H -0.38 0.23 0.08 -0.55 8.40 7.79 2f83A1 ALA 115 HA -1.05 0.12 0.32 -0.75 4.34 2.97 2f83A1 ALA 115 HB3 0.01 0.04 0.01 -0.04 1.41 1.43 2f83A1 GLN 116 H -0.19 0.06 -0.26 -0.55 8.47 7.53 2f83A1 GLN 116 HA -0.11 0.18 0.33 -0.75 4.36 4.01 2f83A1 GLN 116 HB2 -0.06 0.04 0.05 -0.04 2.15 2.13 2f83A1 GLN 116 HB3 -0.09 -0.07 0.03 -0.04 2.02 1.84 2f83A1 GLN 116 HG2 -0.07 -0.01 -0.19 -0.04 2.40 2.09 2f83A1 GLN 116 HG3 -0.04 0.08 -0.03 -0.04 2.39 2.36 2f83A1 GLN 116 HE21 -0.01 0.02 -0.05 -0.04 6.97 6.89 2f83A1 GLN 116 HE22 -0.02 0.04 -0.05 -0.04 7.69 7.63 2f83A1 GLU 117 H -0.18 0.08 -0.20 -0.55 8.60 7.75 2f83A1 GLU 117 HA -0.13 0.09 0.33 -0.75 4.29 3.83 2f83A1 GLU 117 HB2 -0.09 0.07 0.06 -0.04 2.09 2.09 2f83A1 GLU 117 HB3 -0.10 -0.03 0.05 -0.04 1.99 1.87 2f83A1 GLU 117 HG2 -0.16 -0.09 -0.00 -0.04 2.34 2.05 2f83A1 GLU 117 HG3 -0.15 0.12 -0.46 -0.04 2.34 1.81 2f83A1 CYS 118 H -0.38 0.30 -0.63 -0.55 8.50 7.24 2f83A1 CYS 118 HA -0.26 0.05 0.35 -0.75 4.58 3.97 2f83A1 CYS 118 HB2 -0.35 0.00 -0.02 -0.04 2.97 2.57 2f83A1 CYS 118 HB3 -0.55 0.23 0.03 -0.04 2.97 2.64 2f83A1 GLN 119 H -0.56 0.43 -0.23 -0.55 8.47 7.56 2f83A1 GLN 119 HA -1.08 0.04 0.34 -0.75 4.36 2.90 2f83A1 GLN 119 HB2 -0.25 0.01 0.05 -0.04 2.15 1.92 2f83A1 GLN 119 HB3 -0.17 0.14 0.15 -0.04 2.02 2.11 2f83A1 GLN 119 HG2 0.05 -0.07 -0.20 -0.04 2.40 2.13 2f83A1 GLN 119 HG3 0.36 0.08 -0.03 -0.04 2.39 2.76 2f83A1 GLN 119 HE21 0.19 0.26 -0.00 -0.04 6.97 7.37 2f83A1 GLN 119 HE22 0.37 0.11 0.00 -0.04 7.69 8.13 2f83A1 GLU 120 H -0.20 0.40 -0.16 -0.55 8.60 8.09 2f83A1 GLU 120 HA -0.06 0.06 0.37 -0.75 4.29 3.92 2f83A1 GLU 120 HB2 -0.09 0.07 0.05 -0.04 2.09 2.08 2f83A1 GLU 120 HB3 -0.05 0.01 0.02 -0.04 1.99 1.92 2f83A1 GLU 120 HG2 -0.06 0.02 -0.05 -0.04 2.34 2.21 2f83A1 GLU 120 HG3 -0.11 0.34 -0.05 -0.04 2.34 2.48 2f83A1 ARG 121 H -0.17 0.42 -0.40 -0.55 8.46 7.76 2f83A1 ARG 121 HA -0.06 0.05 0.39 -0.75 4.34 3.96 2f83A1 ARG 121 HB2 -0.11 0.08 0.08 -0.04 1.90 1.92 2f83A1 ARG 121 HB3 -0.13 0.09 0.07 -0.04 1.80 1.79 2f83A1 ARG 121 HG2 -0.06 -0.02 -0.17 -0.04 1.67 1.38 2f83A1 ARG 121 HG3 -0.05 -0.02 -0.02 -0.04 1.67 1.54 2f83A1 ARG 121 HD2 -0.08 0.00 -0.09 -0.04 3.22 3.01 2f83A1 ARG 121 HD3 -0.06 -0.02 -0.08 -0.04 3.22 3.02 2f83A1 CYS 122 H -0.17 0.55 -0.14 -0.55 8.50 8.20 2f83A1 CYS 122 HA 0.02 -0.04 0.33 -0.75 4.58 4.12 2f83A1 CYS 122 HB2 0.07 -0.06 -0.04 -0.04 2.97 2.90 2f83A1 CYS 122 HB3 -0.01 0.11 0.05 -0.04 2.97 3.07 2f83A1 THR 123 H -0.01 0.55 -0.34 -0.55 8.28 7.94 2f83A1 THR 123 HA 0.08 -0.03 0.38 -0.75 4.39 4.06 2f83A1 THR 123 HB 0.00 0.12 0.12 -0.04 4.32 4.52 2f83A1 THR 123 HG23 0.02 0.00 -0.37 -0.04 1.22 0.83 2f83A1 ASP 124 H -0.00 0.38 -0.36 -0.55 8.40 7.87 2f83A1 ASP 124 HA 0.01 -0.02 0.70 -0.75 4.63 4.56 2f83A1 ASP 124 HB2 -0.01 0.21 0.17 -0.04 2.71 3.04 2f83A1 ASP 124 HB3 -0.00 -0.06 0.16 -0.04 2.70 2.75 2f83A1 ASP 125 H 0.04 0.37 -0.57 -0.55 8.40 7.69 2f83A1 ASP 125 HA 0.04 0.09 0.81 -0.75 4.63 4.82 2f83A1 ASP 125 HB2 0.03 0.09 0.03 -0.04 2.71 2.82 2f83A1 ASP 125 HB3 0.08 0.14 0.14 -0.04 2.70 3.03 2f83A1 VAL 126 H 0.10 0.10 0.16 -0.55 8.24 8.04 2f83A1 VAL 126 HA -0.01 0.26 0.64 -0.75 4.13 4.27 2f83A1 VAL 126 HB 0.01 -0.01 0.08 -0.04 2.12 2.16 2f83A1 VAL 126 HG13 0.12 -0.00 0.01 -0.04 0.97 1.06 2f83A1 VAL 126 HG23 -0.13 0.01 0.11 -0.04 0.95 0.90 2f83A1 HIS 127 H 0.15 -0.11 -0.12 -0.55 8.41 7.79 2f83A1 HIS 127 HA -0.22 0.38 1.07 -0.75 4.63 5.11 2f83A1 HIS 127 HB2 -0.70 -0.08 -0.04 -0.04 3.26 2.41 2f83A1 HIS 127 HB3 -1.00 -0.04 -0.06 -0.04 3.20 2.06 2f83A1 HIS 127 HD2 -0.46 -0.03 -0.07 -0.04 6.97 6.37 2f83A1 HIS 127 HE1 -0.08 0.14 -0.15 -0.04 7.75 7.61 2f83A1 CYS 128 H 0.15 -0.08 -0.06 -0.55 8.50 7.96 2f83A1 CYS 128 HA 0.07 0.19 0.47 -0.75 4.58 4.56 2f83A1 CYS 128 HB2 0.16 -0.13 0.11 -0.04 2.97 3.07 2f83A1 CYS 128 HB3 0.11 0.36 0.13 -0.04 2.97 3.53 2f83A1 HIS 129 H -0.04 0.41 0.48 -0.55 8.41 8.72 2f83A1 HIS 129 HA 0.19 0.16 0.90 -0.75 4.63 5.13 2f83A1 HIS 129 HB2 0.02 -0.12 0.20 -0.04 3.26 3.32 2f83A1 HIS 129 HB3 0.35 0.11 0.16 -0.04 3.20 3.79 2f83A1 HIS 129 HD2 0.12 0.03 -0.02 -0.04 6.97 7.05 2f83A1 HIS 129 HE1 0.14 0.01 -0.08 -0.04 7.75 7.78 2f83A1 PHE 130 H -0.20 0.22 0.29 -0.55 8.34 8.09 2f83A1 PHE 130 HA 0.07 0.20 0.98 -0.75 4.62 5.12 2f83A1 PHE 130 HB2 -0.45 0.01 0.04 -0.04 3.15 2.71 2f83A1 PHE 130 HB3 -0.10 0.02 -0.10 -0.04 3.06 2.85 2f83A1 PHE 130 HD2 0.08 0.14 -0.23 -0.04 7.28 7.23 2f83A1 PHE 130 HE2 0.05 0.10 -0.59 -0.04 7.38 6.91 2f83A1 PHE 130 HZ 0.02 0.15 -0.22 -0.04 7.32 7.23 2f83A1 PHE 131 H -0.43 0.71 0.45 -0.55 8.34 8.52 2f83A1 PHE 131 HA 0.03 0.24 1.06 -0.75 4.62 5.19 2f83A1 PHE 131 HB2 0.01 -0.00 -0.09 -0.04 3.15 3.03 2f83A1 PHE 131 HB3 0.02 -0.03 -0.19 -0.04 3.06 2.82 2f83A1 PHE 131 HD2 0.05 0.01 -0.41 -0.04 7.28 6.88 2f83A1 PHE 131 HE2 0.02 0.08 -0.21 -0.04 7.38 7.23 2f83A1 PHE 131 HZ -0.00 0.04 -0.14 -0.04 7.32 7.17 2f83A1 THR 132 H 0.20 0.53 0.35 -0.55 8.28 8.82 2f83A1 THR 132 HA 0.03 0.24 1.13 -0.75 4.39 5.04 2f83A1 THR 132 HB 0.03 0.01 0.13 -0.04 4.32 4.45 2f83A1 THR 132 HG23 -0.04 0.00 -0.10 -0.04 1.22 1.05 2f83A1 TYR 133 H 0.18 0.80 0.48 -0.55 8.29 9.20 2f83A1 TYR 133 HA 0.01 0.29 1.06 -0.75 4.56 5.17 2f83A1 TYR 133 HB2 0.12 -0.01 -0.11 -0.04 3.06 3.02 2f83A1 TYR 133 HB3 0.12 0.02 0.10 -0.04 2.98 3.18 2f83A1 TYR 133 HD2 0.00 0.01 -0.26 -0.04 7.15 6.86 2f83A1 TYR 133 HE2 -0.00 0.11 -0.16 -0.04 6.85 6.75 2f83A1 ALA 134 H -0.52 0.52 0.13 -0.55 8.40 7.98 2f83A1 ALA 134 HA -0.62 0.19 0.97 -0.75 4.34 4.13 2f83A1 ALA 134 HB3 -0.48 -0.09 0.26 -0.04 1.41 1.05 2f83A1 THR 135 H -0.31 0.28 0.12 -0.55 8.28 7.82 2f83A1 THR 135 HA -0.29 -0.07 0.31 -0.75 4.39 3.59 2f83A1 THR 135 HB 0.08 -0.08 0.11 -0.04 4.32 4.38 2f83A1 THR 135 HG23 0.20 -0.03 -0.06 -0.04 1.22 1.28 2f83A1 ARG 136 H 0.05 0.02 0.15 -0.55 8.46 8.13 2f83A1 ARG 136 HA 0.03 0.12 0.52 -0.75 4.34 4.26 2f83A1 ARG 136 HB2 0.04 -0.02 0.18 -0.04 1.90 2.06 2f83A1 ARG 136 HB3 0.05 0.04 0.15 -0.04 1.80 2.01 2f83A1 ARG 136 HG2 0.06 -0.04 -0.16 -0.04 1.67 1.49 2f83A1 ARG 136 HG3 0.04 -0.01 -0.07 -0.04 1.67 1.59 2f83A1 ARG 136 HD2 0.05 0.00 0.00 -0.04 3.22 3.23 2f83A1 ARG 136 HD3 0.05 0.02 0.04 -0.04 3.22 3.28 2f83A1 GLN 137 H 0.05 0.13 0.09 -0.55 8.47 8.19 2f83A1 GLN 137 HA 0.03 0.01 0.25 -0.75 4.36 3.90 2f83A1 GLN 137 HB2 0.03 -0.02 0.11 -0.04 2.15 2.23 2f83A1 GLN 137 HB3 0.04 -0.09 -0.22 -0.04 2.02 1.71 2f83A1 GLN 137 HG2 0.07 0.24 -0.14 -0.04 2.40 2.53 2f83A1 GLN 137 HG3 0.07 -0.02 0.05 -0.04 2.39 2.44 2f83A1 GLN 137 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.94 2f83A1 GLN 137 HE22 0.04 -0.01 -0.03 -0.04 7.69 7.65 2f83A1 PHE 138 H 0.15 0.03 -0.75 -0.55 8.34 7.22 2f83A1 PHE 138 HA -0.01 0.13 0.77 -0.75 4.62 4.76 2f83A1 PHE 138 HB2 -0.05 0.21 0.04 -0.04 3.15 3.31 2f83A1 PHE 138 HB3 -0.05 -0.01 0.08 -0.04 3.06 3.04 2f83A1 PHE 138 HD2 -0.01 0.07 -0.15 -0.04 7.28 7.15 2f83A1 PHE 138 HE2 0.02 -0.04 -0.11 -0.04 7.38 7.20 2f83A1 PHE 138 HZ -0.02 -0.06 -0.07 -0.04 7.32 7.13 2f83A1 PRO 139 HA -0.18 0.00 0.25 -0.51 4.44 4.00 2f83A1 PRO 139 HB2 -0.71 -0.10 0.06 -0.04 2.28 1.49 2f83A1 PRO 139 HB3 -0.26 0.00 0.02 -0.04 2.02 1.74 2f83A1 PRO 139 HG2 -0.39 0.03 0.03 -0.04 2.03 1.66 2f83A1 PRO 139 HG3 -0.22 0.02 0.06 -0.04 2.03 1.85 2f83A1 PRO 139 HD2 -1.12 0.19 0.06 -0.04 3.68 2.77 2f83A1 PRO 139 HD3 -0.21 0.25 0.20 -0.04 3.65 3.84 2f83A1 SER 140 H -0.42 0.09 -0.08 -0.55 8.46 7.50 2f83A1 SER 140 HA -0.02 0.02 0.52 -0.75 4.49 4.25 2f83A1 SER 140 HB2 0.13 0.07 0.09 -0.04 3.95 4.19 2f83A1 SER 140 HB3 0.28 0.10 0.06 -0.04 3.93 4.33 2f83A1 LEU 141 H -0.01 0.12 0.24 -0.55 8.37 8.17 2f83A1 LEU 141 HA 0.02 0.18 0.51 -0.75 4.35 4.31 2f83A1 LEU 141 HB2 -0.01 0.05 0.13 -0.04 1.64 1.78 2f83A1 LEU 141 HB3 -0.02 -0.06 0.13 -0.04 1.64 1.66 2f83A1 LEU 141 HG -0.01 0.03 -0.03 -0.04 1.64 1.59 2f83A1 LEU 141 HD13 0.00 0.00 0.05 -0.04 0.93 0.94 2f83A1 LEU 141 HD23 -0.01 -0.01 -0.01 -0.04 0.89 0.82 2f83A1 GLU 142 H -0.05 -0.03 -0.09 -0.55 8.60 7.88 2f83A1 GLU 142 HA -0.07 0.22 0.65 -0.75 4.29 4.33 2f83A1 GLU 142 HB2 -0.19 0.06 0.05 -0.04 2.09 1.96 2f83A1 GLU 142 HB3 -0.12 -0.03 0.06 -0.04 1.99 1.85 2f83A1 GLU 142 HG2 -0.27 -0.13 0.03 -0.04 2.34 1.93 2f83A1 GLU 142 HG3 -1.07 0.10 -0.31 -0.04 2.34 1.02 2f83A1 HIS 143 H 0.04 -0.03 -0.24 -0.55 8.41 7.64 2f83A1 HIS 143 HA 0.03 0.18 0.63 -0.75 4.63 4.71 2f83A1 HIS 143 HB2 0.27 -0.05 0.01 -0.04 3.26 3.45 2f83A1 HIS 143 HB3 0.12 0.04 0.11 -0.04 3.20 3.42 2f83A1 HIS 143 HD2 0.07 -0.05 -0.02 -0.04 6.97 6.93 2f83A1 HIS 143 HE1 0.02 0.02 -0.07 -0.04 7.75 7.68 2f83A1 ARG 144 H 0.09 0.06 -0.70 -0.55 8.46 7.36 2f83A1 ARG 144 HA 0.09 0.14 0.66 -0.75 4.34 4.48 2f83A1 ARG 144 HB2 0.18 0.44 0.12 -0.04 1.90 2.60 2f83A1 ARG 144 HB3 0.06 0.03 0.06 -0.04 1.80 1.91 2f83A1 ARG 144 HG2 0.02 -0.02 -0.18 -0.04 1.67 1.45 2f83A1 ARG 144 HG3 0.08 0.20 0.16 -0.04 1.67 2.06 2f83A1 ARG 144 HD2 0.04 0.04 0.03 -0.04 3.22 3.28 2f83A1 ARG 144 HD3 0.04 -0.22 0.10 -0.04 3.22 3.10 2f83A1 ASN 145 H -0.19 0.65 0.13 -0.55 8.53 8.58 2f83A1 ASN 145 HA -0.29 0.18 0.36 -0.75 4.76 4.26 2f83A1 ASN 145 HB2 0.00 0.16 -0.32 -0.04 2.88 2.68 2f83A1 ASN 145 HB3 0.04 -0.12 0.18 -0.04 2.79 2.85 2f83A1 ASN 145 HD21 0.10 -0.07 0.02 -0.04 7.03 7.04 2f83A1 ASN 145 HD22 0.11 0.08 0.01 -0.04 7.74 7.90 2f83A1 ILE 146 H -0.14 0.20 -0.44 -0.55 8.25 7.32 2f83A1 ILE 146 HA 0.03 0.09 0.84 -0.75 4.18 4.38 2f83A1 ILE 146 HB 0.01 -0.05 -0.22 -0.04 1.89 1.59 2f83A1 ILE 146 HG12 0.04 0.01 -0.11 -0.04 1.49 1.39 2f83A1 ILE 146 HG13 -0.08 -0.04 -0.01 -0.04 1.21 1.04 2f83A1 ILE 146 HG23 0.01 0.03 -0.30 -0.04 0.93 0.63 2f83A1 ILE 146 HD13 -0.00 -0.02 -0.40 -0.04 0.88 0.41 2f83A1 CYS 147 H 0.05 1.29 0.43 -0.55 8.50 9.73 2f83A1 CYS 147 HA 0.17 0.14 0.93 -0.75 4.58 5.07 2f83A1 CYS 147 HB2 0.10 -0.09 -0.01 -0.04 2.97 2.93 2f83A1 CYS 147 HB3 0.01 0.12 0.17 -0.04 2.97 3.23 2f83A1 LEU 148 H 0.08 0.68 0.36 -0.55 8.37 8.94 2f83A1 LEU 148 HA -0.05 0.34 1.42 -0.75 4.35 5.31 2f83A1 LEU 148 HB2 -0.03 0.03 0.06 -0.04 1.64 1.66 2f83A1 LEU 148 HB3 -0.02 -0.06 -0.07 -0.04 1.64 1.46 2f83A1 LEU 148 HG 0.02 -0.04 0.11 -0.04 1.64 1.68 2f83A1 LEU 148 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.80 2f83A1 LEU 148 HD23 -0.00 0.13 0.03 -0.04 0.89 1.01 2f83A1 LEU 149 H -0.15 0.40 0.27 -0.55 8.37 8.33 2f83A1 LEU 149 HA 0.02 0.09 0.68 -0.75 4.35 4.38 2f83A1 LEU 149 HB2 -0.66 -0.06 0.08 -0.04 1.64 0.96 2f83A1 LEU 149 HB3 -0.12 0.03 0.07 -0.04 1.64 1.58 2f83A1 LEU 149 HG -0.15 0.02 -0.03 -0.04 1.64 1.45 2f83A1 LEU 149 HD13 -0.15 -0.00 -0.09 -0.04 0.93 0.65 2f83A1 LEU 149 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.71 2f83A1 LYS 150 H -0.05 0.47 0.43 -0.55 8.42 8.72 2f83A1 LYS 150 HA 0.19 0.36 0.94 -0.75 4.32 5.06 2f83A1 LYS 150 HB2 -0.83 0.03 -0.09 -0.04 1.87 0.93 2f83A1 LYS 150 HB3 -0.19 -0.17 -0.22 -0.04 1.79 1.17 2f83A1 LYS 150 HG2 -0.01 0.03 -0.48 -0.04 1.46 0.96 2f83A1 LYS 150 HG3 -0.03 0.05 -0.33 -0.04 1.46 1.11 2f83A1 LYS 150 HD2 0.28 0.10 -0.17 -0.04 1.69 1.85 2f83A1 LYS 150 HD3 0.10 -0.14 -0.12 -0.04 1.68 1.48 2f83A1 LYS 150 HE2 0.03 -0.05 -0.09 -0.04 2.99 2.84 2f83A1 LYS 150 HE3 0.07 -0.02 -0.03 -0.04 2.99 2.98 2f83A1 HIS 151 H -0.05 0.35 0.28 -0.55 8.41 8.44 2f83A1 HIS 151 HA -0.16 0.07 0.60 -0.75 4.63 4.39 2f83A1 HIS 151 HB2 -0.50 0.17 0.14 -0.04 3.26 3.02 2f83A1 HIS 151 HB3 -0.36 0.11 -0.21 -0.04 3.20 2.69 2f83A1 HIS 151 HD2 -0.06 0.08 -0.15 -0.04 6.97 6.80 2f83A1 HIS 151 HE1 -0.19 -0.03 -0.09 -0.04 7.75 7.40 2f83A1 THR 152 H 0.66 0.41 0.19 -0.55 8.28 8.98 2f83A1 THR 152 HA -0.05 0.11 0.77 -0.75 4.39 4.47 2f83A1 THR 152 HB 0.12 -0.01 0.13 -0.04 4.32 4.51 2f83A1 THR 152 HG23 0.19 -0.02 -0.14 -0.04 1.22 1.21 2f83A1 GLN 153 H 0.06 0.13 0.15 -0.55 8.47 8.27 2f83A1 GLN 153 HA 0.14 0.09 0.35 -0.75 4.36 4.18 2f83A1 GLN 153 HB2 0.06 -0.02 0.17 -0.04 2.15 2.32 2f83A1 GLN 153 HB3 0.07 -0.06 0.14 -0.04 2.02 2.14 2f83A1 GLN 153 HG2 0.10 0.08 -0.17 -0.04 2.40 2.38 2f83A1 GLN 153 HG3 0.10 0.04 0.08 -0.04 2.39 2.58 2f83A1 GLN 153 HE21 0.06 -0.02 0.02 -0.04 6.97 6.99 2f83A1 GLN 153 HE22 0.07 0.05 -0.04 -0.04 7.69 7.73 2f83A1 THR 154 H 0.10 -0.08 -0.36 -0.55 8.28 7.38 2f83A1 THR 154 HA 0.01 0.33 0.93 -0.75 4.39 4.90 2f83A1 THR 154 HB 0.05 0.05 0.06 -0.04 4.32 4.44 2f83A1 THR 154 HG23 0.07 -0.00 -0.02 -0.04 1.22 1.22 2f83A1 GLY 155 H 0.09 -0.01 -0.10 -0.55 8.43 7.87 2f83A1 GLY 155 HA2 -0.46 -0.04 0.36 -0.51 4.01 3.35 2f83A1 GLY 155 HA3 -0.21 0.28 0.83 -0.51 4.01 4.40 2f83A1 THR 156 H 0.11 0.04 -0.38 -0.55 8.28 7.50 2f83A1 THR 156 HA 0.18 0.16 0.67 -0.75 4.39 4.64 2f83A1 THR 156 HB 0.12 0.14 0.09 -0.04 4.32 4.62 2f83A1 THR 156 HG23 0.09 -0.01 -0.10 -0.04 1.22 1.16 2f83A1 PRO 157 HA 0.13 0.11 0.49 -0.51 4.44 4.66 2f83A1 PRO 157 HB2 -0.31 0.07 0.09 -0.04 2.28 2.09 2f83A1 PRO 157 HB3 -1.04 -0.02 -0.02 -0.04 2.02 0.89 2f83A1 PRO 157 HG2 -0.17 0.07 -0.07 -0.04 2.03 1.82 2f83A1 PRO 157 HG3 -0.55 -0.05 -0.04 -0.04 2.03 1.34 2f83A1 PRO 157 HD2 -0.06 0.17 0.26 -0.04 3.68 4.01 2f83A1 PRO 157 HD3 -0.68 0.11 0.12 -0.04 3.65 3.16 2f83A1 THR 158 H 0.04 0.35 0.21 -0.55 8.28 8.33 2f83A1 THR 158 HA 0.05 0.12 0.54 -0.75 4.39 4.35 2f83A1 THR 158 HB -0.02 -0.00 0.08 -0.04 4.32 4.33 2f83A1 THR 158 HG23 0.07 0.01 0.05 -0.04 1.22 1.30 2f83A1 ARG 159 H -0.25 0.16 -0.07 -0.55 8.46 7.75 2f83A1 ARG 159 HA -1.26 0.18 0.45 -0.75 4.34 2.95 2f83A1 ARG 159 HB2 -0.23 -0.11 -0.17 -0.04 1.90 1.34 2f83A1 ARG 159 HB3 -0.23 0.02 -0.12 -0.04 1.80 1.43 2f83A1 ARG 159 HG2 -0.47 0.01 0.09 -0.04 1.67 1.26 2f83A1 ARG 159 HG3 -0.44 0.22 -0.09 -0.04 1.67 1.32 2f83A1 ARG 159 HD2 -0.11 -0.01 -0.07 -0.04 3.22 2.98 2f83A1 ARG 159 HD3 -0.10 -0.01 -0.03 -0.04 3.22 3.03 2f83A1 ILE 160 H -0.14 0.31 0.09 -0.55 8.25 7.96 2f83A1 ILE 160 HA -0.20 0.29 0.92 -0.75 4.18 4.44 2f83A1 ILE 160 HB -0.00 0.08 -0.03 -0.04 1.89 1.90 2f83A1 ILE 160 HG12 -0.36 0.00 -0.18 -0.04 1.49 0.90 2f83A1 ILE 160 HG13 -0.11 -0.09 -0.64 -0.04 1.21 0.34 2f83A1 ILE 160 HG23 -0.90 -0.02 -0.24 -0.04 0.93 -0.27 2f83A1 ILE 160 HD13 -0.25 0.02 -0.43 -0.04 0.88 0.17 2f83A1 THR 161 H -0.06 0.53 0.26 -0.55 8.28 8.46 2f83A1 THR 161 HA 0.22 0.18 0.86 -0.75 4.39 4.90 2f83A1 THR 161 HB 0.07 0.03 0.09 -0.04 4.32 4.46 2f83A1 THR 161 HG23 0.01 -0.02 -0.23 -0.04 1.22 0.94 2f83A1 LYS 162 H 0.22 0.10 0.18 -0.55 8.42 8.36 2f83A1 LYS 162 HA 0.12 0.45 0.84 -0.75 4.32 4.98 2f83A1 LYS 162 HB2 0.21 -0.06 0.13 -0.04 1.87 2.11 2f83A1 LYS 162 HB3 0.15 -0.03 0.10 -0.04 1.79 1.98 2f83A1 LYS 162 HG2 0.43 -0.05 -0.00 -0.04 1.46 1.80 2f83A1 LYS 162 HG3 0.34 -0.03 0.03 -0.04 1.46 1.77 2f83A1 LYS 162 HD2 0.18 0.21 0.02 -0.04 1.69 2.07 2f83A1 LYS 162 HD3 0.22 -0.05 -0.02 -0.04 1.68 1.79 2f83A1 LYS 162 HE2 0.09 -0.05 0.01 -0.04 2.99 3.00 2f83A1 LYS 162 HE3 0.12 -0.05 0.06 -0.04 2.99 3.07 2f83A1 LEU 163 H 0.08 0.44 0.05 -0.55 8.37 8.39 2f83A1 LEU 163 HA 0.10 0.00 0.45 -0.75 4.35 4.14 2f83A1 LEU 163 HB2 0.06 0.08 -0.50 -0.04 1.64 1.24 2f83A1 LEU 163 HB3 0.06 -0.05 -0.13 -0.04 1.64 1.48 2f83A1 LEU 163 HG 0.10 0.00 -0.00 -0.04 1.64 1.70 2f83A1 LEU 163 HD13 0.05 -0.01 -0.13 -0.04 0.93 0.80 2f83A1 LEU 163 HD23 0.31 -0.00 -0.14 -0.04 0.89 1.02 2f83A1 ASP 164 H 0.10 0.11 0.10 -0.55 8.40 8.16 2f83A1 ASP 164 HA 0.09 -0.01 0.48 -0.75 4.63 4.44 2f83A1 ASP 164 HB2 0.06 0.00 0.13 -0.04 2.71 2.86 2f83A1 ASP 164 HB3 0.07 0.07 0.02 -0.04 2.70 2.82 2f83A1 LYS 165 H 0.10 0.08 0.24 -0.55 8.42 8.30 2f83A1 LYS 165 HA 0.11 -0.02 0.37 -0.75 4.32 4.02 2f83A1 LYS 165 HB2 0.32 0.06 -0.16 -0.04 1.87 2.05 2f83A1 LYS 165 HB3 0.27 0.07 0.08 -0.04 1.79 2.17 2f83A1 LYS 165 HG2 0.08 0.50 0.08 -0.04 1.46 2.07 2f83A1 LYS 165 HG3 0.09 -0.06 0.03 -0.04 1.46 1.48 2f83A1 LYS 165 HD2 0.09 -0.24 0.10 -0.04 1.69 1.60 2f83A1 LYS 165 HD3 0.05 0.01 -0.04 -0.04 1.68 1.66 2f83A1 LYS 165 HE2 0.04 0.04 0.04 -0.04 2.99 3.07 2f83A1 LYS 165 HE3 0.05 -0.00 0.05 -0.04 2.99 3.06 2f83A1 VAL 166 H 0.08 0.11 -0.04 -0.55 8.24 7.84 2f83A1 VAL 166 HA -0.14 0.27 1.00 -0.75 4.13 4.50 2f83A1 VAL 166 HB 0.03 0.30 -0.05 -0.04 2.12 2.35 2f83A1 VAL 166 HG13 -0.06 -0.01 -0.17 -0.04 0.97 0.69 2f83A1 VAL 166 HG23 -0.20 0.03 -0.19 -0.04 0.95 0.55 2f83A1 VAL 167 H 0.02 0.49 0.40 -0.55 8.24 8.60 2f83A1 VAL 167 HA 0.03 0.19 0.92 -0.75 4.13 4.52 2f83A1 VAL 167 HB 0.10 -0.04 -0.10 -0.04 2.12 2.04 2f83A1 VAL 167 HG13 0.28 -0.02 -0.02 -0.04 0.97 1.18 2f83A1 VAL 167 HG23 0.08 0.07 -0.21 -0.04 0.95 0.85 2f83A1 SER 168 H -0.05 0.42 0.42 -0.55 8.46 8.71 2f83A1 SER 168 HA -0.34 0.25 1.23 -0.75 4.49 4.88 2f83A1 SER 168 HB2 -0.29 -0.08 0.07 -0.04 3.95 3.62 2f83A1 SER 168 HB3 -0.35 0.06 0.24 -0.04 3.93 3.84 2f83A1 GLY 169 H -1.05 0.53 0.46 -0.55 8.43 7.83 2f83A1 GLY 169 HA2 -0.44 -0.00 0.49 -0.51 4.01 3.55 2f83A1 GLY 169 HA3 -0.49 0.15 0.44 -0.51 4.01 3.60 2f83A1 PHE 170 H -0.01 0.17 0.19 -0.55 8.34 8.13 2f83A1 PHE 170 HA 0.16 0.17 1.04 -0.75 4.62 5.24 2f83A1 PHE 170 HB2 0.11 0.01 0.13 -0.04 3.15 3.36 2f83A1 PHE 170 HB3 0.15 0.12 0.24 -0.04 3.06 3.53 2f83A1 PHE 170 HD2 0.05 0.09 0.01 -0.04 7.28 7.39 2f83A1 PHE 170 HE2 -0.69 -0.00 0.02 -0.04 7.38 6.67 2f83A1 PHE 170 HZ -0.73 -0.03 0.04 -0.04 7.32 6.56 2f83A1 SER 171 H 0.41 0.69 0.36 -0.55 8.46 9.37 2f83A1 SER 171 HA 0.25 0.02 0.38 -0.75 4.49 4.38 2f83A1 SER 171 HB2 0.23 0.13 -0.13 -0.04 3.95 4.14 2f83A1 SER 171 HB3 0.23 0.02 0.18 -0.04 3.93 4.32 2f83A1 LEU 172 H 0.12 0.19 0.06 -0.55 8.37 8.20 2f83A1 LEU 172 HA 0.11 0.20 0.82 -0.75 4.35 4.72 2f83A1 LEU 172 HB2 0.05 0.03 0.02 -0.04 1.64 1.70 2f83A1 LEU 172 HB3 0.05 -0.03 0.09 -0.04 1.64 1.71 2f83A1 LEU 172 HG 0.13 0.03 -0.06 -0.04 1.64 1.70 2f83A1 LEU 172 HD13 0.06 -0.00 -0.05 -0.04 0.93 0.90 2f83A1 LEU 172 HD23 0.17 0.03 -0.37 -0.04 0.89 0.68 2f83A1 LYS 173 H 0.09 0.23 -0.38 -0.55 8.42 7.80 2f83A1 LYS 173 HA 0.02 0.03 0.36 -0.75 4.32 3.98 2f83A1 LYS 173 HB2 0.08 0.01 0.02 -0.04 1.87 1.94 2f83A1 LYS 173 HB3 0.05 0.10 -0.10 -0.04 1.79 1.80 2f83A1 LYS 173 HG2 0.04 0.01 0.07 -0.04 1.46 1.54 2f83A1 LYS 173 HG3 0.08 -0.05 0.07 -0.04 1.46 1.53 2f83A1 LYS 173 HD2 0.08 0.02 -0.03 -0.04 1.69 1.72 2f83A1 LYS 173 HD3 0.05 -0.12 -0.09 -0.04 1.68 1.48 2f83A1 LYS 173 HE2 0.03 -0.04 0.01 -0.04 2.99 2.95 2f83A1 LYS 173 HE3 0.04 0.03 0.06 -0.04 2.99 3.08 2f83A1 SER 174 H 0.05 0.13 -0.24 -0.55 8.46 7.86 2f83A1 SER 174 HA 0.05 0.14 0.43 -0.75 4.49 4.36 2f83A1 SER 174 HB2 0.09 -0.06 -0.16 -0.04 3.95 3.78 2f83A1 SER 174 HB3 0.04 0.09 0.01 -0.04 3.93 4.04 2f83A1 CYS 175 H -0.01 0.04 -0.52 -0.55 8.50 7.46 2f83A1 CYS 175 HA -0.09 0.11 0.43 -0.75 4.58 4.28 2f83A1 CYS 175 HB2 0.01 -0.04 0.06 -0.04 2.97 2.97 2f83A1 CYS 175 HB3 -0.03 0.02 0.13 -0.04 2.97 3.06 2f83A1 ALA 176 H -0.30 0.32 -1.04 -0.55 8.40 6.84 2f83A1 ALA 176 HA -0.18 0.09 0.27 -0.75 4.34 3.77 2f83A1 ALA 176 HB3 -0.20 0.03 -0.02 -0.04 1.41 1.18 2f83A1 LEU 177 H -0.06 0.17 -0.78 -0.55 8.37 7.16 2f83A1 LEU 177 HA -0.03 0.16 0.67 -0.75 4.35 4.40 2f83A1 LEU 177 HB2 -0.01 0.09 -0.04 -0.04 1.64 1.64 2f83A1 LEU 177 HB3 -0.01 -0.11 0.04 -0.04 1.64 1.53 2f83A1 LEU 177 HG -0.01 -0.11 -0.02 -0.04 1.64 1.45 2f83A1 LEU 177 HD13 -0.04 0.07 -0.17 -0.04 0.93 0.75 2f83A1 LEU 177 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.81 2f83A1 SER 178 H -0.02 0.16 -0.30 -0.55 8.46 7.75 2f83A1 SER 178 HA 0.00 0.11 0.59 -0.75 4.49 4.44 2f83A1 SER 178 HB2 0.01 -0.02 0.04 -0.04 3.95 3.94 2f83A1 SER 178 HB3 0.01 0.11 0.09 -0.04 3.93 4.09 2f83A1 ASN 179 H 0.00 0.14 0.12 -0.55 8.53 8.24 2f83A1 ASN 179 HA -0.00 0.17 0.65 -0.75 4.76 4.83 2f83A1 ASN 179 HB2 -0.00 0.01 0.06 -0.04 2.88 2.90 2f83A1 ASN 179 HB3 -0.00 -0.03 0.07 -0.04 2.79 2.79 2f83A1 ASN 179 HD21 -0.01 -0.02 -0.06 -0.04 7.03 6.91 2f83A1 ASN 179 HD22 -0.01 0.01 -0.00 -0.04 7.74 7.70 2f83A1 LEU 180 H 0.00 0.03 -0.07 -0.55 8.37 7.79 2f83A1 LEU 180 HA -0.00 0.00 0.45 -0.75 4.35 4.05 2f83A1 LEU 180 HB2 0.01 -0.04 0.06 -0.04 1.64 1.62 2f83A1 LEU 180 HB3 0.00 0.11 -0.10 -0.04 1.64 1.61 2f83A1 LEU 180 HG 0.01 -0.07 -0.10 -0.04 1.64 1.44 2f83A1 LEU 180 HD13 0.01 -0.04 -0.45 -0.04 0.93 0.42 2f83A1 LEU 180 HD23 0.00 0.05 -0.01 -0.04 0.89 0.89 2f83A1 ALA 181 H -0.02 0.05 0.19 -0.55 8.40 8.08 2f83A1 ALA 181 HA -0.01 0.01 0.41 -0.75 4.34 4.00 2f83A1 ALA 181 HB3 -0.03 -0.00 0.07 -0.04 1.41 1.40 2f83A1 CYS 182 H -0.00 0.73 0.33 -0.55 8.50 9.01 2f83A1 CYS 182 HA 0.01 0.15 0.74 -0.75 4.58 4.73 2f83A1 CYS 182 HB2 0.03 -0.02 -0.08 -0.04 2.97 2.86 2f83A1 CYS 182 HB3 0.04 -0.01 -0.08 -0.04 2.97 2.88 2f83A1 ILE 183 H -0.02 0.30 0.03 -0.55 8.25 8.00 2f83A1 ILE 183 HA -0.06 0.10 0.84 -0.75 4.18 4.31 2f83A1 ILE 183 HB -0.40 0.04 0.17 -0.04 1.89 1.65 2f83A1 ILE 183 HG12 -0.21 0.00 -0.17 -0.04 1.49 1.08 2f83A1 ILE 183 HG13 -0.26 0.07 -0.14 -0.04 1.21 0.84 2f83A1 ILE 183 HG23 -0.13 -0.02 -0.03 -0.04 0.93 0.71 2f83A1 ILE 183 HD13 -0.75 0.00 -0.04 -0.04 0.88 0.05 2f83A1 ARG 184 H 0.01 0.20 -0.00 -0.55 8.46 8.12 2f83A1 ARG 184 HA 0.08 0.19 0.49 -0.75 4.34 4.35 2f83A1 ARG 184 HB2 0.02 -0.03 -0.01 -0.04 1.90 1.84 2f83A1 ARG 184 HB3 0.00 0.00 0.05 -0.04 1.80 1.82 2f83A1 ARG 184 HG2 0.04 0.06 -0.15 -0.04 1.67 1.58 2f83A1 ARG 184 HG3 0.04 -0.01 -0.24 -0.04 1.67 1.41 2f83A1 ARG 184 HD2 0.07 0.03 -0.10 -0.04 3.22 3.18 2f83A1 ARG 184 HD3 0.10 -0.06 -0.06 -0.04 3.22 3.16 2f83A1 ASP 185 H 0.04 -0.02 -0.28 -0.55 8.40 7.59 2f83A1 ASP 185 HA -0.08 0.01 0.43 -0.75 4.63 4.24 2f83A1 ASP 185 HB2 0.05 -0.01 0.02 -0.04 2.71 2.73 2f83A1 ASP 185 HB3 -0.28 0.09 0.00 -0.04 2.70 2.47 2f83A1 ILE 186 H -0.17 0.07 0.22 -0.55 8.25 7.82 2f83A1 ILE 186 HA 0.11 0.24 1.00 -0.75 4.18 4.77 2f83A1 ILE 186 HB 0.05 -0.09 0.04 -0.04 1.89 1.85 2f83A1 ILE 186 HG12 0.07 -0.04 -0.02 -0.04 1.49 1.46 2f83A1 ILE 186 HG13 -0.03 0.02 0.12 -0.04 1.21 1.27 2f83A1 ILE 186 HG23 0.16 0.03 -0.10 -0.04 0.93 0.98 2f83A1 ILE 186 HD13 -0.08 -0.02 -0.14 -0.04 0.88 0.60 2f83A1 PHE 187 H 0.11 0.57 0.27 -0.55 8.34 8.74 2f83A1 PHE 187 HA -0.03 0.21 0.93 -0.75 4.62 4.97 2f83A1 PHE 187 HB2 -0.27 -0.08 0.12 -0.04 3.15 2.88 2f83A1 PHE 187 HB3 -0.13 0.02 -0.03 -0.04 3.06 2.87 2f83A1 PHE 187 HD2 -0.01 0.09 -0.16 -0.04 7.28 7.16 2f83A1 PHE 187 HE2 0.26 0.03 -0.15 -0.04 7.38 7.48 2f83A1 PHE 187 HZ 0.19 -0.03 -0.13 -0.04 7.32 7.31 2f83A1 PRO 188 HA 0.01 0.03 0.79 -0.51 4.44 4.75 2f83A1 PRO 188 HB2 0.02 0.00 0.03 -0.04 2.28 2.29 2f83A1 PRO 188 HB3 0.02 -0.02 0.09 -0.04 2.02 2.07 2f83A1 PRO 188 HG2 0.01 0.05 0.10 -0.04 2.03 2.15 2f83A1 PRO 188 HG3 -0.00 0.03 0.05 -0.04 2.03 2.07 2f83A1 PRO 188 HD2 -0.06 0.20 0.17 -0.04 3.68 3.95 2f83A1 PRO 188 HD3 -0.03 0.08 -0.08 -0.04 3.65 3.58 2f83A1 ASN 189 H 0.02 0.20 0.29 -0.55 8.53 8.49 2f83A1 ASN 189 HA 0.06 0.04 0.45 -0.75 4.76 4.55 2f83A1 ASN 189 HB2 0.03 0.25 0.09 -0.04 2.88 3.21 2f83A1 ASN 189 HB3 0.04 -0.14 0.06 -0.04 2.79 2.71 2f83A1 ASN 189 HD21 0.03 -0.03 -0.04 -0.04 7.03 6.95 2f83A1 ASN 189 HD22 0.03 0.10 -0.11 -0.04 7.74 7.71 2f83A1 THR 190 H -0.07 0.53 0.09 -0.55 8.28 8.28 2f83A1 THR 190 HA -0.08 0.22 0.79 -0.75 4.39 4.56 2f83A1 THR 190 HB -0.20 0.02 -0.13 -0.04 4.32 3.97 2f83A1 THR 190 HG23 -0.27 -0.02 -0.17 -0.04 1.22 0.71 2f83A1 VAL 191 H -0.23 0.39 0.23 -0.55 8.24 8.08 2f83A1 VAL 191 HA -0.44 0.12 0.77 -0.75 4.13 3.82 2f83A1 VAL 191 HB -0.02 0.07 -0.01 -0.04 2.12 2.12 2f83A1 VAL 191 HG13 -0.02 -0.00 -0.29 -0.04 0.97 0.62 2f83A1 VAL 191 HG23 0.03 0.05 -0.11 -0.04 0.95 0.88 2f83A1 PHE 192 H -0.21 0.16 0.13 -0.55 8.34 7.86 2f83A1 PHE 192 HA -0.15 0.28 0.90 -0.75 4.62 4.89 2f83A1 PHE 192 HB2 -0.10 0.02 -0.06 -0.04 3.15 2.97 2f83A1 PHE 192 HB3 -0.13 -0.13 0.04 -0.04 3.06 2.80 2f83A1 PHE 192 HD2 -0.33 0.20 -0.01 -0.04 7.28 7.09 2f83A1 PHE 192 HE2 -0.66 0.03 -0.12 -0.04 7.38 6.59 2f83A1 PHE 192 HZ -0.99 0.03 -0.19 -0.04 7.32 6.13 2f83A1 ALA 193 H 0.13 0.11 -0.02 -0.55 8.40 8.07 2f83A1 ALA 193 HA 0.11 0.16 0.50 -0.75 4.34 4.36 2f83A1 ALA 193 HB3 0.07 0.03 -0.05 -0.04 1.41 1.42 2f83A1 ASP 194 H 0.17 0.15 0.01 -0.55 8.40 8.18 2f83A1 ASP 194 HA 0.06 0.16 0.86 -0.75 4.63 4.96 2f83A1 ASP 194 HB2 0.28 0.05 0.04 -0.04 2.71 3.04 2f83A1 ASP 194 HB3 0.11 0.02 0.32 -0.04 2.70 3.11 2f83A1 SER 195 H 0.03 0.11 0.26 -0.55 8.46 8.32 2f83A1 SER 195 HA 0.01 0.00 0.35 -0.75 4.49 4.10 2f83A1 SER 195 HB2 -0.03 0.03 0.05 -0.04 3.95 3.96 2f83A1 SER 195 HB3 -0.01 0.04 -0.01 -0.04 3.93 3.91 2f83A1 ASN 196 H 0.00 0.14 0.14 -0.55 8.53 8.26 2f83A1 ASN 196 HA -0.03 0.19 0.89 -0.75 4.76 5.06 2f83A1 ASN 196 HB2 0.01 -0.05 0.18 -0.04 2.88 2.98 2f83A1 ASN 196 HB3 0.01 -0.00 0.03 -0.04 2.79 2.78 2f83A1 ASN 196 HD21 0.06 -0.05 -0.08 -0.04 7.03 6.92 2f83A1 ASN 196 HD22 0.04 -0.00 -0.08 -0.04 7.74 7.65 2f83A1 ILE 197 H -0.10 0.51 0.23 -0.55 8.25 8.34 2f83A1 ILE 197 HA -0.03 0.06 0.61 -0.75 4.18 4.08 2f83A1 ILE 197 HB -0.06 -0.02 0.05 -0.04 1.89 1.82 2f83A1 ILE 197 HG12 -0.25 0.10 -0.40 -0.04 1.49 0.89 2f83A1 ILE 197 HG13 -0.21 0.33 -0.06 -0.04 1.21 1.23 2f83A1 ILE 197 HG23 -0.05 -0.01 -0.13 -0.04 0.93 0.70 2f83A1 ILE 197 HD13 -0.57 -0.00 -0.34 -0.04 0.88 -0.08 2f83A1 ASP 198 H -0.07 0.31 0.09 -0.55 8.40 8.18 2f83A1 ASP 198 HA 0.01 0.05 0.38 -0.75 4.63 4.32 2f83A1 ASP 198 HB2 0.04 0.30 -0.10 -0.04 2.71 2.91 2f83A1 ASP 198 HB3 -0.06 -0.06 -0.16 -0.04 2.70 2.39 2f83A1 SER 199 H 0.02 0.29 0.23 -0.55 8.46 8.46 2f83A1 SER 199 HA 0.01 0.29 0.93 -0.75 4.49 4.96 2f83A1 SER 199 HB2 0.02 0.05 0.05 -0.04 3.95 4.02 2f83A1 SER 199 HB3 0.01 -0.09 -0.18 -0.04 3.93 3.63 2f83A1 VAL 200 H 0.01 0.58 0.40 -0.55 8.24 8.68 2f83A1 VAL 200 HA -0.01 0.12 0.70 -0.75 4.13 4.19 2f83A1 VAL 200 HB -0.04 0.10 0.05 -0.04 2.12 2.18 2f83A1 VAL 200 HG13 0.01 -0.01 -0.19 -0.04 0.97 0.73 2f83A1 VAL 200 HG23 -0.03 -0.02 -0.18 -0.04 0.95 0.68 2f83A1 MET 201 H -0.07 0.27 0.17 -0.55 8.47 8.29 2f83A1 MET 201 HA -0.03 0.37 1.00 -0.75 4.52 5.11 2f83A1 MET 201 HB2 -0.16 0.38 0.21 -0.04 2.15 2.54 2f83A1 MET 201 HB3 -0.13 -0.12 -0.05 -0.04 2.03 1.69 2f83A1 MET 201 HG2 -0.05 -0.17 -0.02 -0.04 2.63 2.34 2f83A1 MET 201 HG3 -0.07 0.44 0.11 -0.04 2.56 2.99 2f83A1 MET 201 HE3 -0.05 0.00 0.06 -0.04 2.10 2.08 2f83A1 ALA 202 H 0.13 0.60 0.26 -0.55 8.40 8.84 2f83A1 ALA 202 HA -0.19 0.23 0.94 -0.75 4.34 4.57 2f83A1 ALA 202 HB3 -0.12 -0.05 -0.06 -0.04 1.41 1.14 2f83A1 PRO 203 HA -0.08 0.13 0.54 -0.51 4.44 4.52 2f83A1 PRO 203 HB2 -1.03 0.00 -0.03 -0.04 2.28 1.19 2f83A1 PRO 203 HB3 -0.22 0.07 0.00 -0.04 2.02 1.82 2f83A1 PRO 203 HG2 -0.43 -0.10 0.05 -0.04 2.03 1.51 2f83A1 PRO 203 HG3 -0.41 0.09 0.00 -0.04 2.03 1.68 2f83A1 PRO 203 HD2 -0.24 0.04 0.22 -0.04 3.68 3.65 2f83A1 PRO 203 HD3 -0.37 0.28 0.12 -0.04 3.65 3.63 2f83A1 ASP 204 H -0.29 0.12 -0.01 -0.55 8.40 7.68 2f83A1 ASP 204 HA -0.25 0.25 0.77 -0.75 4.63 4.63 2f83A1 ASP 204 HB2 -0.10 0.14 0.10 -0.04 2.71 2.80 2f83A1 ASP 204 HB3 -0.17 -0.52 0.06 -0.04 2.70 2.03 2f83A1 ALA 205 H -0.53 0.20 0.16 -0.55 8.40 7.69 2f83A1 ALA 205 HA -1.24 0.22 0.62 -0.75 4.34 3.19 2f83A1 ALA 205 HB3 -0.18 0.04 0.02 -0.04 1.41 1.24 2f83A1 PHE 206 H -0.23 -0.09 0.00 -0.55 8.34 7.47 2f83A1 PHE 206 HA -0.11 0.21 0.46 -0.75 4.62 4.42 2f83A1 PHE 206 HB2 -0.06 -0.11 0.09 -0.04 3.15 3.02 2f83A1 PHE 206 HB3 -0.05 0.16 -0.07 -0.04 3.06 3.07 2f83A1 PHE 206 HD2 -0.02 0.02 -0.13 -0.04 7.28 7.11 2f83A1 PHE 206 HE2 -0.01 0.02 -0.03 -0.04 7.38 7.32 2f83A1 PHE 206 HZ -0.01 0.02 -0.01 -0.04 7.32 7.27 2f83A1 VAL 207 H -0.09 -0.04 -0.14 -0.55 8.24 7.42 2f83A1 VAL 207 HA -0.19 0.17 0.28 -0.75 4.13 3.63 2f83A1 VAL 207 HB -0.31 -0.09 0.03 -0.04 2.12 1.70 2f83A1 VAL 207 HG13 -0.61 0.05 -0.15 -0.04 0.97 0.23 2f83A1 VAL 207 HG23 -0.32 0.00 0.02 -0.04 0.95 0.61 2f83A1 CYS 208 H -0.36 0.08 -0.69 -0.55 8.50 6.98 2f83A1 CYS 208 HA -0.26 0.07 0.15 -0.75 4.58 3.80 2f83A1 CYS 208 HB2 -0.40 0.12 0.02 -0.04 2.97 2.67 2f83A1 CYS 208 HB3 -0.36 0.10 -0.05 -0.04 2.97 2.61 2f83A1 GLY 209 H -0.48 0.43 -0.30 -0.55 8.43 7.53 2f83A1 GLY 209 HA2 -1.49 -0.05 0.16 -0.51 4.01 2.12 2f83A1 GLY 209 HA3 -0.49 0.06 0.20 -0.51 4.01 3.27 2f83A1 ARG 210 H -0.19 0.52 -0.41 -0.55 8.46 7.83 2f83A1 ARG 210 HA -0.10 0.01 0.40 -0.75 4.34 3.89 2f83A1 ARG 210 HB2 0.03 0.01 0.17 -0.04 1.90 2.07 2f83A1 ARG 210 HB3 0.04 0.12 0.00 -0.04 1.80 1.92 2f83A1 ARG 210 HG2 -0.03 0.11 0.09 -0.04 1.67 1.79 2f83A1 ARG 210 HG3 -0.02 -0.05 -0.05 -0.04 1.67 1.50 2f83A1 ARG 210 HD2 -0.03 0.01 -0.18 -0.04 3.22 2.98 2f83A1 ARG 210 HD3 -0.00 0.07 -0.16 -0.04 3.22 3.09 2f83A1 ILE 211 H -0.23 0.63 -0.07 -0.55 8.25 8.03 2f83A1 ILE 211 HA -0.74 0.05 0.32 -0.75 4.18 3.05 2f83A1 ILE 211 HB -0.22 0.10 0.05 -0.04 1.89 1.78 2f83A1 ILE 211 HG12 -0.00 0.01 -0.05 -0.04 1.49 1.40 2f83A1 ILE 211 HG13 -0.12 0.12 -0.02 -0.04 1.21 1.15 2f83A1 ILE 211 HG23 -0.12 -0.01 -0.26 -0.04 0.93 0.49 2f83A1 ILE 211 HD13 -0.11 -0.04 -0.17 -0.04 0.88 0.52 2f83A1 CYS 212 H -0.33 0.47 -0.23 -0.55 8.50 7.86 2f83A1 CYS 212 HA -0.13 -0.06 0.23 -0.75 4.58 3.88 2f83A1 CYS 212 HB2 -0.24 -0.03 -0.13 -0.04 2.97 2.52 2f83A1 CYS 212 HB3 -0.23 0.22 -0.07 -0.04 2.97 2.86 2f83A1 THR 213 H -0.21 0.41 -0.54 -0.55 8.28 7.40 2f83A1 THR 213 HA -0.02 -0.17 0.30 -0.75 4.39 3.75 2f83A1 THR 213 HB -0.10 0.54 0.19 -0.04 4.32 4.90 2f83A1 THR 213 HG23 0.04 -0.04 -0.32 -0.04 1.22 0.86 2f83A1 HIS 214 H -0.61 0.41 -0.22 -0.55 8.41 7.44 2f83A1 HIS 214 HA 0.01 0.14 0.96 -0.75 4.63 4.98 2f83A1 HIS 214 HB2 0.05 -0.01 0.17 -0.04 3.26 3.43 2f83A1 HIS 214 HB3 -0.10 -0.08 -0.01 -0.04 3.20 2.97 2f83A1 HIS 214 HD2 -0.58 -0.01 -0.13 -0.04 6.97 6.20 2f83A1 HIS 214 HE1 -0.14 -0.07 -0.02 -0.04 7.75 7.48 2f83A1 HIS 215 H 0.05 0.29 -0.22 -0.55 8.41 7.98 2f83A1 HIS 215 HA -0.01 0.29 0.89 -0.75 4.63 5.04 2f83A1 HIS 215 HB2 -0.11 0.22 0.12 -0.04 3.26 3.45 2f83A1 HIS 215 HB3 -0.04 -0.41 0.28 -0.04 3.20 2.99 2f83A1 HIS 215 HD2 -0.06 0.03 -0.10 -0.04 6.97 6.79 2f83A1 HIS 215 HE1 0.01 0.09 -0.01 -0.04 7.75 7.80 2f83A1 PRO 216 HA 0.13 0.06 0.34 -0.51 4.44 4.46 2f83A1 PRO 216 HB2 0.23 0.06 0.15 -0.04 2.28 2.67 2f83A1 PRO 216 HB3 0.09 0.05 0.07 -0.04 2.02 2.19 2f83A1 PRO 216 HG2 -0.22 -0.03 -0.00 -0.04 2.03 1.73 2f83A1 PRO 216 HG3 -0.04 0.05 -0.16 -0.04 2.03 1.84 2f83A1 PRO 216 HD2 -0.12 0.02 -0.09 -0.04 3.68 3.45 2f83A1 PRO 216 HD3 -0.13 0.38 0.20 -0.04 3.65 4.06 2f83A1 GLY 217 H 0.86 0.12 -0.20 -0.55 8.43 8.67 2f83A1 GLY 217 HA2 0.20 0.13 0.64 -0.51 4.01 4.48 2f83A1 GLY 217 HA3 0.20 0.03 0.23 -0.51 4.01 3.96 2f83A1 CYS 218 H 0.03 -0.04 -0.05 -0.55 8.50 7.90 2f83A1 CYS 218 HA -0.25 0.13 0.53 -0.75 4.58 4.23 2f83A1 CYS 218 HB2 -0.27 -0.06 0.06 -0.04 2.97 2.66 2f83A1 CYS 218 HB3 -0.05 0.40 0.21 -0.04 2.97 3.50 2f83A1 LEU 219 H -0.39 0.67 0.48 -0.55 8.37 8.58 2f83A1 LEU 219 HA -0.07 0.20 0.90 -0.75 4.35 4.62 2f83A1 LEU 219 HB2 -0.35 -0.00 0.20 -0.04 1.64 1.44 2f83A1 LEU 219 HB3 -0.45 -0.04 0.07 -0.04 1.64 1.17 2f83A1 LEU 219 HG -0.04 0.01 0.19 -0.04 1.64 1.76 2f83A1 LEU 219 HD13 -0.22 0.07 0.06 -0.04 0.93 0.79 2f83A1 LEU 219 HD23 -0.35 -0.06 0.08 -0.04 0.89 0.52 2f83A1 PHE 220 H -0.35 0.43 0.34 -0.55 8.34 8.20 2f83A1 PHE 220 HA 0.11 -0.08 0.46 -0.75 4.62 4.36 2f83A1 PHE 220 HB2 -0.64 0.26 0.32 -0.04 3.15 3.04 2f83A1 PHE 220 HB3 -0.35 0.12 0.36 -0.04 3.06 3.14 2f83A1 PHE 220 HD2 -0.15 0.20 -0.30 -0.04 7.28 6.98 2f83A1 PHE 220 HE2 -0.16 -0.05 -0.44 -0.04 7.38 6.70 2f83A1 PHE 220 HZ -0.17 -0.09 -0.41 -0.04 7.32 6.60 2f83A1 PHE 221 H -0.07 0.72 0.35 -0.55 8.34 8.78 2f83A1 PHE 221 HA 0.10 0.05 0.96 -0.75 4.62 4.97 2f83A1 PHE 221 HB2 -0.00 0.22 0.18 -0.04 3.15 3.51 2f83A1 PHE 221 HB3 -0.02 -0.02 -0.28 -0.04 3.06 2.70 2f83A1 PHE 221 HD2 0.03 -0.01 -0.38 -0.04 7.28 6.88 2f83A1 PHE 221 HE2 0.04 0.07 -0.25 -0.04 7.38 7.20 2f83A1 PHE 221 HZ 0.06 0.03 -0.18 -0.04 7.32 7.19 2f83A1 THR 222 H 0.20 0.63 0.37 -0.55 8.28 8.94 2f83A1 THR 222 HA -0.37 0.17 0.97 -0.75 4.39 4.41 2f83A1 THR 222 HB -0.10 -0.02 0.08 -0.04 4.32 4.23 2f83A1 THR 222 HG23 -0.83 0.02 -0.12 -0.04 1.22 0.25 2f83A1 PHE 223 H -0.23 0.78 0.48 -0.55 8.34 8.82 2f83A1 PHE 223 HA -0.26 0.33 1.20 -0.75 4.62 5.14 2f83A1 PHE 223 HB2 0.08 -0.03 0.01 -0.04 3.15 3.17 2f83A1 PHE 223 HB3 -0.08 -0.09 0.20 -0.04 3.06 3.04 2f83A1 PHE 223 HD2 -0.08 -0.06 -0.14 -0.04 7.28 6.96 2f83A1 PHE 223 HE2 -0.08 -0.03 -0.17 -0.04 7.38 7.06 2f83A1 PHE 223 HZ -0.08 0.14 -0.23 -0.04 7.32 7.10 2f83A1 PHE 224 H -0.92 0.75 0.32 -0.55 8.34 7.94 2f83A1 PHE 224 HA -0.69 0.15 1.14 -0.75 4.62 4.46 2f83A1 PHE 224 HB2 -0.72 0.21 0.40 -0.04 3.15 3.01 2f83A1 PHE 224 HB3 -1.26 -0.05 0.08 -0.04 3.06 1.79 2f83A1 PHE 224 HD2 -1.70 0.04 -0.01 -0.04 7.28 5.58 2f83A1 PHE 224 HE2 -0.52 -0.01 -0.08 -0.04 7.38 6.72 2f83A1 PHE 224 HZ -0.25 0.01 -0.06 -0.04 7.32 6.97 2f83A1 SER 225 H -0.14 0.77 0.38 -0.55 8.46 8.92 2f83A1 SER 225 HA -0.08 0.05 0.35 -0.75 4.49 4.06 2f83A1 SER 225 HB2 0.11 -0.13 0.21 -0.04 3.95 4.09 2f83A1 SER 225 HB3 0.10 0.05 0.14 -0.04 3.93 4.18 2f83A1 GLN 226 H 0.08 0.15 0.24 -0.55 8.47 8.40 2f83A1 GLN 226 HA 0.01 0.14 0.55 -0.75 4.36 4.30 2f83A1 GLN 226 HB2 0.01 0.09 0.21 -0.04 2.15 2.42 2f83A1 GLN 226 HB3 0.04 -0.07 0.22 -0.04 2.02 2.17 2f83A1 GLN 226 HG2 0.00 -0.00 -0.17 -0.04 2.40 2.19 2f83A1 GLN 226 HG3 -0.08 0.04 0.15 -0.04 2.39 2.46 2f83A1 GLN 226 HE21 -0.59 0.00 0.12 -0.04 6.97 6.46 2f83A1 GLN 226 HE22 -0.80 0.01 0.09 -0.04 7.69 6.94 2f83A1 GLU 227 H 0.10 -0.05 -0.29 -0.55 8.60 7.82 2f83A1 GLU 227 HA 0.08 0.25 0.69 -0.75 4.29 4.55 2f83A1 GLU 227 HB2 0.09 -0.06 0.05 -0.04 2.09 2.14 2f83A1 GLU 227 HB3 0.06 0.02 0.15 -0.04 1.99 2.19 2f83A1 GLU 227 HG2 0.08 0.04 0.00 -0.04 2.34 2.42 2f83A1 GLU 227 HG3 0.08 -0.06 -0.15 -0.04 2.34 2.17 2f83A1 TRP 228 H 0.26 0.40 -0.59 -0.55 7.97 7.49 2f83A1 TRP 228 HA 0.01 0.06 0.42 -0.75 4.62 4.35 2f83A1 TRP 228 HB2 0.03 -0.01 -0.07 -0.04 3.23 3.13 2f83A1 TRP 228 HB3 -0.03 0.05 -0.20 -0.04 3.23 3.00 2f83A1 TRP 228 HD1 -0.13 0.03 -0.48 -0.04 7.22 6.59 2f83A1 TRP 228 HE1 -0.34 -0.03 -0.08 -0.04 10.20 9.70 2f83A1 TRP 228 HE3 0.10 -0.04 -0.07 -0.04 7.59 7.54 2f83A1 TRP 228 HZ2 -0.22 -0.03 -0.05 -0.04 7.44 7.10 2f83A1 TRP 228 HZ3 0.12 0.27 -0.12 -0.04 7.13 7.35 2f83A1 TRP 228 HH2 0.12 -0.02 -0.09 -0.04 7.19 7.16 2f83A1 PRO 229 HA -0.24 0.06 0.33 -0.51 4.44 4.08 2f83A1 PRO 229 HB2 -0.83 -0.15 0.16 -0.04 2.28 1.42 2f83A1 PRO 229 HB3 -0.38 0.02 0.09 -0.04 2.02 1.71 2f83A1 PRO 229 HG2 -0.75 0.03 0.06 -0.04 2.03 1.34 2f83A1 PRO 229 HG3 -0.38 0.04 0.08 -0.04 2.03 1.73 2f83A1 PRO 229 HD2 -2.03 0.12 0.11 -0.04 3.68 1.84 2f83A1 PRO 229 HD3 -0.38 0.19 0.18 -0.04 3.65 3.59 2f83A1 LYS 230 H -0.45 0.13 -0.03 -0.55 8.42 7.51 2f83A1 LYS 230 HA -0.07 0.04 0.41 -0.75 4.32 3.94 2f83A1 LYS 230 HB2 0.08 0.04 0.14 -0.04 1.87 2.08 2f83A1 LYS 230 HB3 0.00 -0.02 0.08 -0.04 1.79 1.82 2f83A1 LYS 230 HG2 -0.08 0.02 0.04 -0.04 1.46 1.39 2f83A1 LYS 230 HG3 -0.18 -0.02 0.08 -0.04 1.46 1.30 2f83A1 LYS 230 HD2 0.01 0.03 0.01 -0.04 1.69 1.69 2f83A1 LYS 230 HD3 -0.02 0.01 0.01 -0.04 1.68 1.63 2f83A1 LYS 230 HE2 -0.03 0.02 -0.01 -0.04 2.99 2.93 2f83A1 LYS 230 HE3 -0.06 -0.01 0.00 -0.04 2.99 2.89 2f83A1 GLU 231 H -0.01 0.32 0.44 -0.55 8.60 8.81 2f83A1 GLU 231 HA 0.08 0.15 0.30 -0.75 4.29 4.07 2f83A1 GLU 231 HB2 0.02 -0.00 0.14 -0.04 2.09 2.21 2f83A1 GLU 231 HB3 0.02 0.11 0.21 -0.04 1.99 2.29 2f83A1 GLU 231 HG2 0.00 0.00 0.04 -0.04 2.34 2.34 2f83A1 GLU 231 HG3 -0.00 -0.10 0.09 -0.04 2.34 2.29 2f83A1 SER 232 H 0.03 -0.05 -0.88 -0.55 8.46 7.01 2f83A1 SER 232 HA 0.01 0.06 0.42 -0.75 4.49 4.22 2f83A1 SER 232 HB2 -0.00 0.01 0.09 -0.04 3.95 4.01 2f83A1 SER 232 HB3 0.00 -0.06 0.04 -0.04 3.93 3.87 2f83A1 GLN 233 H 0.11 0.53 -0.35 -0.55 8.47 8.22 2f83A1 GLN 233 HA -0.07 0.21 0.89 -0.75 4.36 4.64 2f83A1 GLN 233 HB2 -0.05 -0.01 -0.04 -0.04 2.15 2.01 2f83A1 GLN 233 HB3 -0.49 -0.05 0.12 -0.04 2.02 1.56 2f83A1 GLN 233 HG2 -0.10 0.07 -0.23 -0.04 2.40 2.10 2f83A1 GLN 233 HG3 0.03 -0.06 -0.25 -0.04 2.39 2.06 2f83A1 GLN 233 HE21 -0.25 -0.02 -0.04 -0.04 6.97 6.62 2f83A1 GLN 233 HE22 -0.42 0.03 -0.04 -0.04 7.69 7.22 2f83A1 ARG 234 H 0.04 0.35 -0.10 -0.55 8.46 8.20 2f83A1 ARG 234 HA -0.03 0.23 0.55 -0.75 4.34 4.34 2f83A1 ARG 234 HB2 0.02 0.03 0.20 -0.04 1.90 2.10 2f83A1 ARG 234 HB3 0.01 -0.07 0.13 -0.04 1.80 1.83 2f83A1 ARG 234 HG2 0.16 -0.08 -0.03 -0.04 1.67 1.67 2f83A1 ARG 234 HG3 0.17 -0.14 -0.09 -0.04 1.67 1.57 2f83A1 ARG 234 HD2 0.05 -0.10 0.17 -0.04 3.22 3.30 2f83A1 ARG 234 HD3 0.04 0.11 0.20 -0.04 3.22 3.53 2f83A1 ASN 235 H -0.32 0.67 0.29 -0.55 8.53 8.61 2f83A1 ASN 235 HA -0.17 0.02 0.36 -0.75 4.76 4.21 2f83A1 ASN 235 HB2 -0.05 0.26 0.16 -0.04 2.88 3.21 2f83A1 ASN 235 HB3 0.01 -0.04 0.15 -0.04 2.79 2.87 2f83A1 ASN 235 HD21 0.04 -0.12 0.07 -0.04 7.03 6.98 2f83A1 ASN 235 HD22 0.15 0.08 0.09 -0.04 7.74 8.02 2f83A1 LEU 236 H -0.24 0.33 -0.40 -0.55 8.37 7.52 2f83A1 LEU 236 HA -0.03 0.13 0.60 -0.75 4.35 4.30 2f83A1 LEU 236 HB2 -0.07 0.01 -0.04 -0.04 1.64 1.50 2f83A1 LEU 236 HB3 0.01 0.09 0.19 -0.04 1.64 1.89 2f83A1 LEU 236 HG 0.07 -0.03 -0.34 -0.04 1.64 1.29 2f83A1 LEU 236 HD13 -0.01 0.01 -0.05 -0.04 0.93 0.84 2f83A1 LEU 236 HD23 0.01 -0.03 -0.05 -0.04 0.89 0.78 2f83A1 CYS 237 H 0.04 0.73 0.40 -0.55 8.50 9.12 2f83A1 CYS 237 HA 0.18 0.16 1.10 -0.75 4.58 5.27 2f83A1 CYS 237 HB2 0.27 -0.06 -0.04 -0.04 2.97 3.10 2f83A1 CYS 237 HB3 0.05 0.11 0.14 -0.04 2.97 3.23 2f83A1 LEU 238 H 0.05 0.60 0.31 -0.55 8.37 8.79 2f83A1 LEU 238 HA 0.05 0.13 0.89 -0.75 4.35 4.66 2f83A1 LEU 238 HB2 0.07 -0.01 0.18 -0.04 1.64 1.85 2f83A1 LEU 238 HB3 0.07 -0.01 -0.05 -0.04 1.64 1.61 2f83A1 LEU 238 HG 0.20 0.00 -0.07 -0.04 1.64 1.73 2f83A1 LEU 238 HD13 0.15 -0.00 -0.04 -0.04 0.93 0.99 2f83A1 LEU 238 HD23 0.04 0.01 -0.04 -0.04 0.89 0.86 2f83A1 LEU 239 H -0.01 0.86 0.46 -0.55 8.37 9.13 2f83A1 LEU 239 HA -0.01 0.10 0.90 -0.75 4.35 4.59 2f83A1 LEU 239 HB2 -0.16 -0.04 0.19 -0.04 1.64 1.59 2f83A1 LEU 239 HB3 -0.27 -0.02 -0.02 -0.04 1.64 1.29 2f83A1 LEU 239 HG -0.03 0.06 -0.25 -0.04 1.64 1.38 2f83A1 LEU 239 HD13 -0.03 -0.02 -0.23 -0.04 0.93 0.62 2f83A1 LEU 239 HD23 -0.07 0.01 -0.23 -0.04 0.89 0.56 2f83A1 LYS 240 H -0.08 0.46 0.43 -0.55 8.42 8.68 2f83A1 LYS 240 HA -0.16 0.21 1.15 -0.75 4.32 4.76 2f83A1 LYS 240 HB2 -0.03 0.01 -0.11 -0.04 1.87 1.70 2f83A1 LYS 240 HB3 -0.01 -0.08 0.01 -0.04 1.79 1.67 2f83A1 LYS 240 HG2 0.05 0.13 -0.18 -0.04 1.46 1.41 2f83A1 LYS 240 HG3 0.08 -0.05 -0.28 -0.04 1.46 1.18 2f83A1 LYS 240 HD2 0.31 -0.02 -0.24 -0.04 1.69 1.70 2f83A1 LYS 240 HD3 0.28 -0.33 -0.19 -0.04 1.68 1.40 2f83A1 LYS 240 HE2 0.15 0.36 -0.59 -0.04 2.99 2.87 2f83A1 LYS 240 HE3 0.11 0.07 -0.15 -0.04 2.99 2.98 2f83A1 THR 241 H -0.26 0.54 0.25 -0.55 8.28 8.26 2f83A1 THR 241 HA -0.79 0.12 0.56 -0.75 4.39 3.52 2f83A1 THR 241 HB -0.26 0.33 -0.00 -0.04 4.32 4.35 2f83A1 THR 241 HG23 -0.09 -0.04 -0.19 -0.04 1.22 0.86 2f83A1 SER 242 H -0.01 0.45 0.12 -0.55 8.46 8.48 2f83A1 SER 242 HA 0.05 0.05 0.65 -0.75 4.49 4.48 2f83A1 SER 242 HB2 0.09 -0.04 0.11 -0.04 3.95 4.07 2f83A1 SER 242 HB3 0.23 0.05 -0.31 -0.04 3.93 3.86 2f83A1 GLU 243 H 0.02 0.14 0.15 -0.55 8.60 8.37 2f83A1 GLU 243 HA -0.13 0.12 0.37 -0.75 4.29 3.89 2f83A1 GLU 243 HB2 -0.01 -0.07 0.14 -0.04 2.09 2.12 2f83A1 GLU 243 HB3 -0.05 0.08 0.03 -0.04 1.99 2.01 2f83A1 GLU 243 HG2 -0.07 0.05 0.06 -0.04 2.34 2.34 2f83A1 GLU 243 HG3 -0.01 -0.06 0.12 -0.04 2.34 2.34 2f83A1 SER 244 H 0.04 -0.01 -0.20 -0.55 8.46 7.75 2f83A1 SER 244 HA 0.04 0.08 0.40 -0.75 4.49 4.25 2f83A1 SER 244 HB2 0.02 -0.01 0.07 -0.04 3.95 3.99 2f83A1 SER 244 HB3 0.04 0.04 0.04 -0.04 3.93 4.02 2f83A1 GLY 245 H 0.15 0.03 -0.43 -0.55 8.43 7.63 2f83A1 GLY 245 HA2 0.08 0.05 0.32 -0.51 4.01 3.95 2f83A1 GLY 245 HA3 0.10 0.20 0.81 -0.51 4.01 4.61 2f83A1 LEU 246 H 0.08 0.06 -0.50 -0.55 8.37 7.46 2f83A1 LEU 246 HA 0.12 0.24 0.70 -0.75 4.35 4.66 2f83A1 LEU 246 HB2 -0.03 -0.02 -0.13 -0.04 1.64 1.42 2f83A1 LEU 246 HB3 -0.02 0.05 -0.03 -0.04 1.64 1.60 2f83A1 LEU 246 HG 0.01 0.01 -0.13 -0.04 1.64 1.49 2f83A1 LEU 246 HD13 -0.04 -0.01 -0.06 -0.04 0.93 0.78 2f83A1 LEU 246 HD23 -0.01 0.01 -0.28 -0.04 0.89 0.57 2f83A1 PRO 247 HA -0.52 -0.09 0.29 -0.51 4.44 3.61 2f83A1 PRO 247 HB2 -0.76 0.12 -0.14 -0.04 2.28 1.47 2f83A1 PRO 247 HB3 -2.43 0.01 -0.01 -0.04 2.02 -0.45 2f83A1 PRO 247 HG2 -0.52 0.03 -0.11 -0.04 2.03 1.39 2f83A1 PRO 247 HG3 -1.57 0.06 -0.09 -0.04 2.03 0.40 2f83A1 PRO 247 HD2 -0.24 0.10 0.09 -0.04 3.68 3.59 2f83A1 PRO 247 HD3 -1.53 0.19 0.08 -0.04 3.65 2.34 2f83A1 SER 248 H -0.08 0.03 0.11 -0.55 8.46 7.99 2f83A1 SER 248 HA -0.04 0.04 0.36 -0.75 4.49 4.09 2f83A1 SER 248 HB2 -0.01 0.02 0.04 -0.04 3.95 3.96 2f83A1 SER 248 HB3 0.00 -0.05 0.16 -0.04 3.93 4.01 2f83A1 THR 249 H -0.04 0.12 -0.11 -0.55 8.28 7.69 2f83A1 THR 249 HA -0.03 0.21 0.60 -0.75 4.39 4.42 2f83A1 THR 249 HB -0.00 0.01 0.01 -0.04 4.32 4.29 2f83A1 THR 249 HG23 -0.01 -0.01 -0.26 -0.04 1.22 0.90 2f83A1 ARG 250 H -0.01 0.00 0.09 -0.55 8.46 7.99 2f83A1 ARG 250 HA 0.04 0.29 0.94 -0.75 4.34 4.85 2f83A1 ARG 250 HB2 -0.19 0.02 -0.08 -0.04 1.90 1.61 2f83A1 ARG 250 HB3 0.04 0.01 -0.16 -0.04 1.80 1.65 2f83A1 ARG 250 HG2 -0.03 -0.02 0.07 -0.04 1.67 1.65 2f83A1 ARG 250 HG3 -0.07 0.02 -0.08 -0.04 1.67 1.51 2f83A1 ARG 250 HD2 -0.01 0.01 -0.00 -0.04 3.22 3.17 2f83A1 ARG 250 HD3 -0.05 0.05 -0.07 -0.04 3.22 3.11 2f83A1 ILE 251 H -0.07 0.75 0.28 -0.55 8.25 8.66 2f83A1 ILE 251 HA -0.01 0.11 0.90 -0.75 4.18 4.42 2f83A1 ILE 251 HB 0.01 0.02 0.03 -0.04 1.89 1.91 2f83A1 ILE 251 HG12 0.03 -0.00 -0.10 -0.04 1.49 1.38 2f83A1 ILE 251 HG13 0.01 -0.00 -0.13 -0.04 1.21 1.06 2f83A1 ILE 251 HG23 0.03 0.04 -0.17 -0.04 0.93 0.79 2f83A1 ILE 251 HD13 0.02 -0.06 -0.32 -0.04 0.88 0.48 2f83A1 LYS 252 H 0.00 0.09 0.19 -0.55 8.42 8.15 2f83A1 LYS 252 HA 0.00 0.26 0.59 -0.75 4.32 4.41 2f83A1 LYS 252 HB2 0.01 -0.02 0.18 -0.04 1.87 1.99 2f83A1 LYS 252 HB3 0.01 -0.06 0.10 -0.04 1.79 1.81 2f83A1 LYS 252 HG2 0.02 0.11 0.11 -0.04 1.46 1.66 2f83A1 LYS 252 HG3 0.01 -0.05 0.05 -0.04 1.46 1.43 2f83A1 LYS 252 HD2 0.02 -0.08 -0.10 -0.04 1.69 1.49 2f83A1 LYS 252 HD3 0.03 0.05 -0.02 -0.04 1.68 1.69 2f83A1 LYS 252 HE2 0.02 -0.10 0.00 -0.04 2.99 2.87 2f83A1 LYS 252 HE3 0.02 0.11 0.05 -0.04 2.99 3.13 2f83A1 LYS 253 H 0.04 0.64 0.03 -0.55 8.42 8.57 2f83A1 LYS 253 HA 0.07 -0.08 0.38 -0.75 4.32 3.94 2f83A1 LYS 253 HB2 0.12 0.24 -0.36 -0.04 1.87 1.82 2f83A1 LYS 253 HB3 0.23 -0.01 -0.19 -0.04 1.79 1.77 2f83A1 LYS 253 HG2 0.28 0.06 -0.09 -0.04 1.46 1.66 2f83A1 LYS 253 HG3 0.08 -0.06 0.09 -0.04 1.46 1.52 2f83A1 LYS 253 HD2 0.15 0.02 -0.04 -0.04 1.69 1.77 2f83A1 LYS 253 HD3 0.45 -0.00 -0.10 -0.04 1.68 1.99 2f83A1 LYS 253 HE2 -0.11 0.00 -0.03 -0.04 2.99 2.81 2f83A1 LYS 253 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 2f83A1 SER 254 H 0.07 0.10 0.13 -0.55 8.46 8.20 2f83A1 SER 254 HA 0.10 0.04 0.51 -0.75 4.49 4.38 2f83A1 SER 254 HB2 0.03 0.03 0.13 -0.04 3.95 4.10 2f83A1 SER 254 HB3 0.06 -0.00 0.10 -0.04 3.93 4.05 2f83A1 LYS 255 H 0.12 0.11 0.20 -0.55 8.42 8.29 2f83A1 LYS 255 HA 0.15 -0.04 0.35 -0.75 4.32 4.03 2f83A1 LYS 255 HB2 0.37 0.20 -0.35 -0.04 1.87 2.05 2f83A1 LYS 255 HB3 0.42 -0.09 0.00 -0.04 1.79 2.08 2f83A1 LYS 255 HG2 0.11 0.37 -0.19 -0.04 1.46 1.71 2f83A1 LYS 255 HG3 0.13 -0.14 -0.07 -0.04 1.46 1.34 2f83A1 LYS 255 HD2 0.10 -0.06 0.11 -0.04 1.69 1.80 2f83A1 LYS 255 HD3 0.08 -0.05 -0.11 -0.04 1.68 1.55 2f83A1 LYS 255 HE2 0.04 -0.01 0.03 -0.04 2.99 3.01 2f83A1 LYS 255 HE3 0.03 0.08 0.01 -0.04 2.99 3.07 2f83A1 ALA 256 H 0.14 0.14 -0.34 -0.55 8.40 7.80 2f83A1 ALA 256 HA -0.24 0.29 1.20 -0.75 4.34 4.83 2f83A1 ALA 256 HB3 -0.22 0.04 -0.01 -0.04 1.41 1.18 2f83A1 LEU 257 H -0.12 0.43 0.40 -0.55 8.37 8.54 2f83A1 LEU 257 HA -0.06 0.24 1.12 -0.75 4.35 4.89 2f83A1 LEU 257 HB2 0.05 -0.10 0.01 -0.04 1.64 1.56 2f83A1 LEU 257 HB3 0.11 -0.04 0.13 -0.04 1.64 1.80 2f83A1 LEU 257 HG 0.08 -0.07 -0.08 -0.04 1.64 1.54 2f83A1 LEU 257 HD13 0.10 0.04 -0.25 -0.04 0.93 0.78 2f83A1 LEU 257 HD23 0.03 0.02 -0.29 -0.04 0.89 0.61 2f83A1 SER 258 H -0.14 0.59 0.35 -0.55 8.46 8.72 2f83A1 SER 258 HA -0.63 0.12 1.04 -0.75 4.49 4.26 2f83A1 SER 258 HB2 -0.84 -0.02 -0.05 -0.04 3.95 3.00 2f83A1 SER 258 HB3 -1.29 0.09 0.09 -0.04 3.93 2.78 2f83A1 GLY 259 H -1.23 0.43 0.24 -0.55 8.43 7.32 2f83A1 GLY 259 HA2 0.16 0.19 0.63 -0.51 4.01 4.48 2f83A1 GLY 259 HA3 0.04 0.04 0.33 -0.51 4.01 3.91 2f83A1 PHE 260 H 0.47 0.31 0.16 -0.55 8.34 8.72 2f83A1 PHE 260 HA 0.31 0.06 1.12 -0.75 4.62 5.36 2f83A1 PHE 260 HB2 0.15 0.20 0.13 -0.04 3.15 3.59 2f83A1 PHE 260 HB3 0.14 0.15 0.15 -0.04 3.06 3.45 2f83A1 PHE 260 HD2 0.19 0.20 0.08 -0.04 7.28 7.72 2f83A1 PHE 260 HE2 0.01 -0.02 -0.03 -0.04 7.38 7.30 2f83A1 PHE 260 HZ -0.29 -0.04 -0.06 -0.04 7.32 6.89 2f83A1 SER 261 H 0.33 0.45 -0.10 -0.55 8.46 8.59 2f83A1 SER 261 HA 0.12 0.05 0.29 -0.75 4.49 4.20 2f83A1 SER 261 HB2 0.07 -0.11 -0.42 -0.04 3.95 3.46 2f83A1 SER 261 HB3 0.09 0.03 0.08 -0.04 3.93 4.09 2f83A1 LEU 262 H 0.06 0.21 0.07 -0.55 8.37 8.17 2f83A1 LEU 262 HA 0.08 0.16 0.80 -0.75 4.35 4.64 2f83A1 LEU 262 HB2 0.05 0.07 0.04 -0.04 1.64 1.75 2f83A1 LEU 262 HB3 0.06 -0.05 0.03 -0.04 1.64 1.64 2f83A1 LEU 262 HG 0.12 0.17 -0.15 -0.04 1.64 1.74 2f83A1 LEU 262 HD13 0.04 -0.00 -0.10 -0.04 0.93 0.83 2f83A1 LEU 262 HD23 0.11 0.06 -0.39 -0.04 0.89 0.64 2f83A1 GLN 263 H 0.06 0.26 -0.30 -0.55 8.47 7.94 2f83A1 GLN 263 HA 0.08 0.10 0.43 -0.75 4.36 4.21 2f83A1 GLN 263 HB2 0.07 -0.04 0.02 -0.04 2.15 2.16 2f83A1 GLN 263 HB3 0.06 0.34 0.20 -0.04 2.02 2.58 2f83A1 GLN 263 HG2 0.05 -0.02 0.00 -0.04 2.40 2.40 2f83A1 GLN 263 HG3 0.05 -0.10 -0.01 -0.04 2.39 2.29 2f83A1 GLN 263 HE21 0.08 0.09 0.03 -0.04 6.97 7.13 2f83A1 GLN 263 HE22 0.06 0.04 0.09 -0.04 7.69 7.84 2f83A1 SER 264 H 0.05 0.15 -0.24 -0.55 8.46 7.87 2f83A1 SER 264 HA 0.03 0.07 0.42 -0.75 4.49 4.26 2f83A1 SER 264 HB2 0.02 -0.01 -0.01 -0.04 3.95 3.91 2f83A1 SER 264 HB3 0.03 -0.03 -0.16 -0.04 3.93 3.73 2f83A1 CYS 265 H 0.06 0.26 -0.76 -0.55 8.50 7.50 2f83A1 CYS 265 HA 0.04 0.17 0.80 -0.75 4.58 4.84 2f83A1 CYS 265 HB2 0.05 0.06 -0.12 -0.04 2.97 2.92 2f83A1 CYS 265 HB3 0.06 0.03 -0.13 -0.04 2.97 2.88 2f83A1 ARG 266 H 0.10 0.24 -0.19 -0.55 8.46 8.06 2f83A1 ARG 266 HA 0.12 0.04 0.26 -0.75 4.34 4.01 2f83A1 ARG 266 HB2 0.50 -0.08 0.10 -0.04 1.90 2.38 2f83A1 ARG 266 HB3 0.22 -0.05 0.05 -0.04 1.80 1.98 2f83A1 ARG 266 HG2 0.13 -0.06 0.11 -0.04 1.67 1.81 2f83A1 ARG 266 HG3 0.12 0.50 0.16 -0.04 1.67 2.41 2f83A1 ARG 266 HD2 0.12 0.00 0.01 -0.04 3.22 3.31 2f83A1 ARG 266 HD3 0.19 -0.09 0.03 -0.04 3.22 3.30 2f83A1 HIS 267 H 0.47 0.10 -0.21 -0.55 8.41 8.22 2f83A1 HIS 267 HA 0.01 -0.02 0.60 -0.75 4.63 4.47 2f83A1 HIS 267 HB2 -0.01 0.02 0.19 -0.04 3.26 3.42 2f83A1 HIS 267 HB3 -0.01 -0.01 0.06 -0.04 3.20 3.20 2f83A1 HIS 267 HD2 -0.00 -0.01 0.01 -0.04 6.97 6.92 2f83A1 HIS 267 HE1 0.03 -0.08 0.10 -0.04 7.75 7.75 2f83A1 SER 268 H 0.02 -0.07 0.30 -0.55 8.46 8.16 2f83A1 SER 268 HA -0.12 -0.04 0.25 -0.75 4.49 3.83 2f83A1 SER 268 HB2 -0.05 0.32 0.62 -0.04 3.95 4.80 2f83A1 SER 268 HB3 0.02 0.22 -0.30 -0.04 3.93 3.82 2f83A1 ILE 269 H 0.02 0.20 0.26 -0.55 8.25 8.18 2f83A1 ILE 269 HA 0.01 0.10 0.51 -0.75 4.18 4.05 2f83A1 ILE 269 HB 0.04 0.09 -0.24 -0.04 1.89 1.74 2f83A1 ILE 269 HG12 -0.03 -0.11 -0.06 -0.04 1.49 1.26 2f83A1 ILE 269 HG13 -0.03 0.17 -0.02 -0.04 1.21 1.29 2f83A1 ILE 269 HG23 0.03 0.03 -0.29 -0.04 0.93 0.66 2f83A1 ILE 269 HD13 -0.05 -0.03 0.09 -0.04 0.88 0.84 2f83A1 PRO 270 HA 0.00 -0.03 0.53 -0.51 4.44 4.42 2f83A1 PRO 270 HB2 -0.03 0.02 -0.01 -0.04 2.28 2.22 2f83A1 PRO 270 HB3 -0.01 0.00 0.05 -0.04 2.02 2.02 2f83A1 PRO 270 HG2 -0.03 0.01 0.10 -0.04 2.03 2.07 2f83A1 PRO 270 HG3 -0.02 0.03 0.07 -0.04 2.03 2.07 2f83A1 PRO 270 HD2 -0.03 0.14 0.23 -0.04 3.68 3.98 2f83A1 PRO 270 HD3 -0.01 0.18 0.15 -0.04 3.65 3.93 2f83A1 VAL 271 H 0.04 -0.08 0.20 -0.55 8.24 7.85 2f83A1 VAL 271 HA -0.04 0.21 0.89 -0.75 4.13 4.44 2f83A1 VAL 271 HB 0.21 -0.05 0.09 -0.04 2.12 2.32 2f83A1 VAL 271 HG13 -0.08 0.03 -0.14 -0.04 0.97 0.74 2f83A1 VAL 271 HG23 0.06 0.07 -0.19 -0.04 0.95 0.85 2f83A1 PHE 272 H 0.21 0.07 0.06 -0.55 8.34 8.12 2f83A1 PHE 272 HA -0.22 0.24 0.69 -0.75 4.62 4.58 2f83A1 PHE 272 HB2 -0.09 0.01 -0.09 -0.04 3.15 2.94 2f83A1 PHE 272 HB3 -0.14 0.01 0.09 -0.04 3.06 2.98 2f83A1 PHE 272 HD2 -0.09 -0.07 0.00 -0.04 7.28 7.08 2f83A1 PHE 272 HE2 -0.03 0.05 0.02 -0.04 7.38 7.38 2f83A1 PHE 272 HZ -0.07 0.04 0.03 -0.04 7.32 7.28 2f83A1 CYS 273 H -0.30 0.28 -0.67 -0.55 8.50 7.26 2f83A1 CYS 273 HA -0.17 0.07 0.72 -0.75 4.58 4.44 2f83A1 CYS 273 HB2 -0.04 0.06 -0.28 -0.04 2.97 2.68 2f83A1 CYS 273 HB3 -0.06 0.02 -0.01 -0.04 2.97 2.87 2f83A1 HIS 274 H -0.10 0.14 -0.07 -0.55 8.41 7.84 2f83A1 HIS 274 HA -0.02 0.24 0.77 -0.75 4.63 4.87 2f83A1 HIS 274 HB2 -0.29 -0.06 0.17 -0.04 3.26 3.05 2f83A1 HIS 274 HB3 -0.06 -0.01 0.07 -0.04 3.20 3.16 2f83A1 HIS 274 HD2 -1.10 0.01 -0.08 -0.04 6.97 5.76 2f83A1 HIS 274 HE1 -0.17 0.10 -0.08 -0.04 7.75 7.56 2f83A1 SER 275 H 0.05 0.25 -0.21 -0.55 8.46 8.01 2f83A1 SER 275 HA 0.04 0.04 0.55 -0.75 4.49 4.36 2f83A1 SER 275 HB2 0.04 0.01 0.07 -0.04 3.95 4.03 2f83A1 SER 275 HB3 0.04 0.05 0.15 -0.04 3.93 4.13 2f83A1 SER 276 H -0.05 0.38 0.24 -0.55 8.46 8.48 2f83A1 SER 276 HA 0.04 0.02 0.47 -0.75 4.49 4.27 2f83A1 SER 276 HB2 -0.02 -0.04 -0.21 -0.04 3.95 3.65 2f83A1 SER 276 HB3 -0.27 0.04 -0.02 -0.04 3.93 3.63 2f83A1 PHE 277 H 0.13 0.15 0.18 -0.55 8.34 8.25 2f83A1 PHE 277 HA -0.12 0.26 0.88 -0.75 4.62 4.89 2f83A1 PHE 277 HB2 -0.02 -0.00 0.06 -0.04 3.15 3.14 2f83A1 PHE 277 HB3 -0.13 -0.03 -0.06 -0.04 3.06 2.81 2f83A1 PHE 277 HD2 0.05 0.00 -0.10 -0.04 7.28 7.20 2f83A1 PHE 277 HE2 -0.07 -0.20 -0.03 -0.04 7.38 7.04 2f83A1 PHE 277 HZ -0.15 0.00 -0.02 -0.04 7.32 7.11 2f83A1 TYR 278 H -0.03 0.43 0.22 -0.55 8.29 8.36 2f83A1 TYR 278 HA 0.04 0.14 0.97 -0.75 4.56 4.97 2f83A1 TYR 278 HB2 -0.39 0.04 0.23 -0.04 3.06 2.91 2f83A1 TYR 278 HB3 -0.11 0.04 0.02 -0.04 2.98 2.88 2f83A1 TYR 278 HD2 -0.02 0.13 -0.02 -0.04 7.15 7.19 2f83A1 TYR 278 HE2 0.15 -0.00 -0.11 -0.04 6.85 6.85 2f83A1 HIS 279 H 0.21 0.16 0.06 -0.55 8.41 8.29 2f83A1 HIS 279 HA 0.07 0.05 0.64 -0.75 4.63 4.63 2f83A1 HIS 279 HB2 0.06 0.01 0.10 -0.04 3.26 3.39 2f83A1 HIS 279 HB3 0.04 0.02 0.00 -0.04 3.20 3.22 2f83A1 HIS 279 HD2 -0.02 0.04 -0.01 -0.04 6.97 6.93 2f83A1 HIS 279 HE1 0.11 -0.00 -0.04 -0.04 7.75 7.78 2f83A1 ASP 280 H 0.09 0.23 0.17 -0.55 8.40 8.34 2f83A1 ASP 280 HA 0.05 -0.15 0.35 -0.75 4.63 4.13 2f83A1 ASP 280 HB2 0.11 -0.05 -0.09 -0.04 2.71 2.64 2f83A1 ASP 280 HB3 0.13 0.11 0.27 -0.04 2.70 3.17 2f83A1 THR 281 H -0.03 0.66 -0.09 -0.55 8.28 8.26 2f83A1 THR 281 HA -0.04 0.19 0.48 -0.75 4.39 4.26 2f83A1 THR 281 HB -0.08 0.10 -0.17 -0.04 4.32 4.13 2f83A1 THR 281 HG23 -0.18 -0.03 -0.32 -0.04 1.22 0.65 2f83A1 ASP 282 H -0.05 0.77 0.06 -0.55 8.40 8.63 2f83A1 ASP 282 HA -0.16 0.05 0.80 -0.75 4.63 4.56 2f83A1 ASP 282 HB2 -0.04 0.06 0.05 -0.04 2.71 2.74 2f83A1 ASP 282 HB3 -0.08 0.00 -0.09 -0.04 2.70 2.49 2f83A1 PHE 283 H -0.10 0.15 -0.02 -0.55 8.34 7.81 2f83A1 PHE 283 HA -0.24 0.15 0.60 -0.75 4.62 4.38 2f83A1 PHE 283 HB2 -0.19 -0.03 -0.01 -0.04 3.15 2.88 2f83A1 PHE 283 HB3 -0.74 0.05 -0.14 -0.04 3.06 2.18 2f83A1 PHE 283 HD2 -0.44 0.04 -0.20 -0.04 7.28 6.64 2f83A1 PHE 283 HE2 -0.62 -0.03 -0.19 -0.04 7.38 6.50 2f83A1 PHE 283 HZ -0.62 -0.05 -0.11 -0.04 7.32 6.50 2f83A1 LEU 284 H -0.00 0.52 0.24 -0.55 8.37 8.58 2f83A1 LEU 284 HA 0.09 0.11 0.60 -0.75 4.35 4.39 2f83A1 LEU 284 HB2 0.01 -0.12 0.20 -0.04 1.64 1.69 2f83A1 LEU 284 HB3 0.04 -0.01 0.06 -0.04 1.64 1.69 2f83A1 LEU 284 HG 0.01 0.07 0.00 -0.04 1.64 1.68 2f83A1 LEU 284 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 2f83A1 LEU 284 HD23 0.01 0.00 -0.16 -0.04 0.89 0.70 2f83A1 GLY 285 H 0.13 0.29 0.17 -0.55 8.43 8.48 2f83A1 GLY 285 HA2 0.16 0.01 0.31 -0.51 4.01 3.98 2f83A1 GLY 285 HA3 0.32 0.06 0.33 -0.51 4.01 4.21 2f83A1 GLU 286 H 0.06 0.32 0.17 -0.55 8.60 8.60 2f83A1 GLU 286 HA 0.05 0.05 0.60 -0.75 4.29 4.23 2f83A1 GLU 286 HB2 0.00 0.09 0.11 -0.04 2.09 2.25 2f83A1 GLU 286 HB3 0.02 0.01 0.09 -0.04 1.99 2.06 2f83A1 GLU 286 HG2 0.04 -0.05 0.05 -0.04 2.34 2.34 2f83A1 GLU 286 HG3 0.04 -0.00 0.23 -0.04 2.34 2.57 2f83A1 GLU 287 H 0.05 0.13 0.18 -0.55 8.60 8.41 2f83A1 GLU 287 HA 0.06 0.20 0.88 -0.75 4.29 4.68 2f83A1 GLU 287 HB2 0.06 -0.02 0.14 -0.04 2.09 2.22 2f83A1 GLU 287 HB3 0.08 -0.02 -0.05 -0.04 1.99 1.96 2f83A1 GLU 287 HG2 0.17 0.04 -0.14 -0.04 2.34 2.37 2f83A1 GLU 287 HG3 0.10 0.03 0.02 -0.04 2.34 2.44 2f83A1 LEU 288 H 0.02 0.81 0.44 -0.55 8.37 9.10 2f83A1 LEU 288 HA -0.00 0.09 0.63 -0.75 4.35 4.31 2f83A1 LEU 288 HB2 -0.02 0.01 -0.12 -0.04 1.64 1.46 2f83A1 LEU 288 HB3 -0.00 -0.00 -0.04 -0.04 1.64 1.55 2f83A1 LEU 288 HG -0.01 -0.02 -0.09 -0.04 1.64 1.48 2f83A1 LEU 288 HD13 -0.01 0.01 -0.02 -0.04 0.93 0.87 2f83A1 LEU 288 HD23 -0.01 -0.00 -0.15 -0.04 0.89 0.68 2f83A1 ASP 289 H 0.02 0.35 0.24 -0.55 8.40 8.45 2f83A1 ASP 289 HA -0.03 0.04 0.38 -0.75 4.63 4.27 2f83A1 ASP 289 HB2 -0.01 0.32 -0.09 -0.04 2.71 2.88 2f83A1 ASP 289 HB3 -0.01 -0.06 -0.14 -0.04 2.70 2.44 2f83A1 ILE 290 H -0.10 0.23 0.13 -0.55 8.25 7.97 2f83A1 ILE 290 HA -0.28 0.36 1.09 -0.75 4.18 4.60 2f83A1 ILE 290 HB -0.24 -0.02 0.16 -0.04 1.89 1.74 2f83A1 ILE 290 HG12 -0.79 0.03 -0.10 -0.04 1.49 0.59 2f83A1 ILE 290 HG13 -0.20 -0.08 -0.13 -0.04 1.21 0.75 2f83A1 ILE 290 HG23 -0.77 -0.00 -0.16 -0.04 0.93 -0.04 2f83A1 ILE 290 HD13 -0.21 0.00 -0.03 -0.04 0.88 0.60 2f83A1 VAL 291 H -0.06 0.63 0.29 -0.55 8.24 8.55 2f83A1 VAL 291 HA -0.04 0.18 1.04 -0.75 4.13 4.55 2f83A1 VAL 291 HB -0.02 -0.01 -0.12 -0.04 2.12 1.93 2f83A1 VAL 291 HG13 0.01 0.03 -0.09 -0.04 0.97 0.87 2f83A1 VAL 291 HG23 -0.00 0.07 0.05 -0.04 0.95 1.02 2f83A1 ALA 292 H -0.00 0.09 0.16 -0.55 8.40 8.11 2f83A1 ALA 292 HA 0.03 0.29 0.56 -0.75 4.34 4.46 2f83A1 ALA 292 HB3 0.02 -0.02 0.08 -0.04 1.41 1.45 2f83A1 ALA 293 H 0.12 0.40 0.10 -0.55 8.40 8.47 2f83A1 ALA 293 HA 0.07 0.03 0.39 -0.75 4.34 4.08 2f83A1 ALA 293 HB3 0.17 0.07 -0.30 -0.04 1.41 1.30 2f83A1 LYS 294 H 0.05 0.22 0.11 -0.55 8.42 8.25 2f83A1 LYS 294 HA 0.16 0.06 0.70 -0.75 4.32 4.49 2f83A1 LYS 294 HB2 0.04 0.05 0.05 -0.04 1.87 1.97 2f83A1 LYS 294 HB3 0.05 -0.13 0.08 -0.04 1.79 1.75 2f83A1 LYS 294 HG2 0.01 0.04 0.22 -0.04 1.46 1.68 2f83A1 LYS 294 HG3 0.01 0.05 0.05 -0.04 1.46 1.52 2f83A1 LYS 294 HD2 0.03 -0.07 0.03 -0.04 1.69 1.64 2f83A1 LYS 294 HD3 0.01 0.07 0.04 -0.04 1.68 1.77 2f83A1 LYS 294 HE2 0.02 0.05 0.02 -0.04 2.99 3.04 2f83A1 LYS 294 HE3 0.01 0.05 0.04 -0.04 2.99 3.05 2f83A1 SER 295 H 0.13 0.12 0.07 -0.55 8.46 8.24 2f83A1 SER 295 HA -0.21 -0.03 0.39 -0.75 4.49 3.89 2f83A1 SER 295 HB2 -0.03 -0.03 -0.06 -0.04 3.95 3.79 2f83A1 SER 295 HB3 -0.06 0.23 -0.05 -0.04 3.93 4.01 2f83A1 HIS 296 H -0.38 0.10 0.06 -0.55 8.41 7.65 2f83A1 HIS 296 HA -0.57 0.06 0.33 -0.75 4.63 3.69 2f83A1 HIS 296 HB2 0.38 -0.13 0.14 -0.04 3.26 3.62 2f83A1 HIS 296 HB3 0.09 0.11 0.10 -0.04 3.20 3.46 2f83A1 HIS 296 HD2 -0.25 -0.10 -0.11 -0.04 6.97 6.46 2f83A1 HIS 296 HE1 -0.20 0.03 -0.05 -0.04 7.75 7.49 2f83A1 GLU 297 H 0.35 0.15 0.05 -0.55 8.60 8.61 2f83A1 GLU 297 HA 0.21 0.07 0.33 -0.75 4.29 4.14 2f83A1 GLU 297 HB2 -0.09 0.20 0.25 -0.04 2.09 2.41 2f83A1 GLU 297 HB3 -0.03 0.05 -0.02 -0.04 1.99 1.95 2f83A1 GLU 297 HG2 -0.67 0.04 -0.14 -0.04 2.34 1.53 2f83A1 GLU 297 HG3 -1.02 -0.28 -0.70 -0.04 2.34 0.30 2f83A1 ALA 298 H -0.09 1.21 -0.06 -0.55 8.40 8.91 2f83A1 ALA 298 HA -0.05 0.05 0.36 -0.75 4.34 3.94 2f83A1 ALA 298 HB3 -0.07 0.06 0.10 -0.04 1.41 1.45 2f83A1 CYS 299 H -0.16 0.16 -0.49 -0.55 8.50 7.47 2f83A1 CYS 299 HA -0.06 0.15 0.19 -0.75 4.58 4.11 2f83A1 CYS 299 HB2 0.07 0.12 -0.12 -0.04 2.97 3.00 2f83A1 CYS 299 HB3 -0.06 -0.27 -0.00 -0.04 2.97 2.59 2f83A1 GLN 300 H -0.34 -0.19 -0.25 -0.55 8.47 7.14 2f83A1 GLN 300 HA -1.34 0.07 0.23 -0.75 4.36 2.56 2f83A1 GLN 300 HB2 -0.16 -0.04 0.05 -0.04 2.15 1.95 2f83A1 GLN 300 HB3 -0.02 -0.14 0.14 -0.04 2.02 1.96 2f83A1 GLN 300 HG2 -0.02 0.07 -0.29 -0.04 2.40 2.12 2f83A1 GLN 300 HG3 -0.05 0.07 -0.18 -0.04 2.39 2.19 2f83A1 GLN 300 HE21 -0.39 -0.02 -0.04 -0.04 6.97 6.48 2f83A1 GLN 300 HE22 0.22 -0.08 -0.02 -0.04 7.69 7.76 2f83A1 LYS 301 H -0.13 1.13 -0.32 -0.55 8.42 8.55 2f83A1 LYS 301 HA -0.05 0.01 0.33 -0.75 4.32 3.86 2f83A1 LYS 301 HB2 -0.04 0.08 0.07 -0.04 1.87 1.93 2f83A1 LYS 301 HB3 -0.05 0.10 0.01 -0.04 1.79 1.81 2f83A1 LYS 301 HG2 -0.02 0.00 0.02 -0.04 1.46 1.42 2f83A1 LYS 301 HG3 -0.02 -0.06 -0.04 -0.04 1.46 1.31 2f83A1 LYS 301 HD2 -0.03 0.03 -0.14 -0.04 1.69 1.52 2f83A1 LYS 301 HD3 -0.02 -0.01 -0.05 -0.04 1.68 1.56 2f83A1 LYS 301 HE2 -0.02 -0.05 -0.04 -0.04 2.99 2.85 2f83A1 LYS 301 HE3 -0.03 0.04 -0.03 -0.04 2.99 2.93 2f83A1 LEU 302 H -0.13 0.42 -0.39 -0.55 8.37 7.72 2f83A1 LEU 302 HA -0.04 0.04 0.42 -0.75 4.35 4.01 2f83A1 LEU 302 HB2 -0.09 0.20 0.18 -0.04 1.64 1.89 2f83A1 LEU 302 HB3 -0.04 -0.08 -0.09 -0.04 1.64 1.39 2f83A1 LEU 302 HG -0.02 -0.06 -0.08 -0.04 1.64 1.44 2f83A1 LEU 302 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.81 2f83A1 LEU 302 HD23 -0.04 0.13 -0.05 -0.04 0.89 0.89 2f83A1 CYS 303 H -0.19 0.38 -0.13 -0.55 8.50 8.01 2f83A1 CYS 303 HA 0.01 -0.01 0.37 -0.75 4.58 4.19 2f83A1 CYS 303 HB2 -0.03 -0.11 -0.12 -0.04 2.97 2.66 2f83A1 CYS 303 HB3 -0.10 0.10 -0.00 -0.04 2.97 2.93 2f83A1 THR 304 H -0.06 0.75 -0.07 -0.55 8.28 8.35 2f83A1 THR 304 HA 0.03 0.31 0.55 -0.75 4.39 4.52 2f83A1 THR 304 HB -0.02 0.05 0.09 -0.04 4.32 4.40 2f83A1 THR 304 HG23 0.00 -0.03 -0.07 -0.04 1.22 1.08 2f83A1 ASN 305 H -0.03 0.18 -0.72 -0.55 8.53 7.42 2f83A1 ASN 305 HA -0.01 0.11 0.61 -0.75 4.76 4.71 2f83A1 ASN 305 HB2 -0.03 0.14 0.17 -0.04 2.88 3.13 2f83A1 ASN 305 HB3 -0.02 -0.11 0.01 -0.04 2.79 2.63 2f83A1 ASN 305 HD21 -0.02 -0.06 0.00 -0.04 7.03 6.92 2f83A1 ASN 305 HD22 -0.02 -0.04 0.04 -0.04 7.74 7.68 2f83A1 ALA 306 H -0.01 0.48 -0.32 -0.55 8.40 8.01 2f83A1 ALA 306 HA -0.01 0.03 0.85 -0.75 4.34 4.45 2f83A1 ALA 306 HB3 -0.00 -0.02 0.11 -0.04 1.41 1.45 2f83A1 VAL 307 H -0.01 0.14 0.08 -0.55 8.24 7.90 2f83A1 VAL 307 HA -0.00 0.15 0.25 -0.75 4.13 3.77 2f83A1 VAL 307 HB -0.01 -0.06 0.04 -0.04 2.12 2.06 2f83A1 VAL 307 HG13 -0.01 0.03 -0.03 -0.04 0.97 0.91 2f83A1 VAL 307 HG23 -0.02 0.00 0.10 -0.04 0.95 0.99 2f83A1 ARG 308 H -0.01 -0.05 -0.17 -0.55 8.46 7.68 2f83A1 ARG 308 HA -0.00 0.18 0.38 -0.75 4.34 4.15 2f83A1 ARG 308 HB2 -0.01 -0.09 -0.02 -0.04 1.90 1.74 2f83A1 ARG 308 HB3 -0.01 -0.02 0.00 -0.04 1.80 1.73 2f83A1 ARG 308 HG2 -0.01 -0.03 0.02 -0.04 1.67 1.61 2f83A1 ARG 308 HG3 -0.01 -0.09 0.02 -0.04 1.67 1.54 2f83A1 ARG 308 HD2 -0.00 0.14 0.01 -0.04 3.22 3.32 2f83A1 ARG 308 HD3 -0.01 0.09 0.01 -0.04 3.22 3.27 2f83A1 CYS 309 H -0.00 0.21 -0.39 -0.55 8.50 7.77 2f83A1 CYS 309 HA -0.05 -0.04 0.41 -0.75 4.58 4.14 2f83A1 CYS 309 HB2 0.01 -0.16 0.12 -0.04 2.97 2.91 2f83A1 CYS 309 HB3 0.03 0.47 0.23 -0.04 2.97 3.66 2f83A1 GLN 310 H -0.19 0.40 0.54 -0.55 8.47 8.67 2f83A1 GLN 310 HA 0.09 0.22 0.91 -0.75 4.36 4.82 2f83A1 GLN 310 HB2 -0.29 -0.21 0.21 -0.04 2.15 1.82 2f83A1 GLN 310 HB3 0.14 0.05 0.21 -0.04 2.02 2.38 2f83A1 GLN 310 HG2 0.02 0.22 0.03 -0.04 2.40 2.62 2f83A1 GLN 310 HG3 -0.10 0.10 0.27 -0.04 2.39 2.63 2f83A1 GLN 310 HE21 0.04 0.01 0.01 -0.04 6.97 6.99 2f83A1 GLN 310 HE22 0.02 0.13 0.02 -0.04 7.69 7.82 2f83A1 PHE 311 H -0.30 0.53 0.38 -0.55 8.34 8.39 2f83A1 PHE 311 HA 0.12 0.02 0.57 -0.75 4.62 4.58 2f83A1 PHE 311 HB2 -0.11 0.10 0.18 -0.04 3.15 3.27 2f83A1 PHE 311 HB3 -0.22 0.09 0.09 -0.04 3.06 2.98 2f83A1 PHE 311 HD2 0.03 0.11 -0.33 -0.04 7.28 7.05 2f83A1 PHE 311 HE2 0.01 -0.16 -0.24 -0.04 7.38 6.94 2f83A1 PHE 311 HZ -0.02 0.00 -0.04 -0.04 7.32 7.23 2f83A1 PHE 312 H -0.33 0.55 0.38 -0.55 8.34 8.39 2f83A1 PHE 312 HA 0.19 0.23 0.96 -0.75 4.62 5.26 2f83A1 PHE 312 HB2 0.15 0.07 -0.02 -0.04 3.15 3.30 2f83A1 PHE 312 HB3 0.10 -0.01 -0.21 -0.04 3.06 2.90 2f83A1 PHE 312 HD2 0.13 0.03 -0.37 -0.04 7.28 7.03 2f83A1 PHE 312 HE2 0.10 0.14 -0.17 -0.04 7.38 7.41 2f83A1 PHE 312 HZ -0.21 -0.03 -0.07 -0.04 7.32 6.97 2f83A1 THR 313 H 0.32 0.54 0.32 -0.55 8.28 8.91 2f83A1 THR 313 HA -0.14 0.18 0.92 -0.75 4.39 4.60 2f83A1 THR 313 HB -0.05 -0.00 0.13 -0.04 4.32 4.36 2f83A1 THR 313 HG23 -0.13 0.04 -0.05 -0.04 1.22 1.05 2f83A1 TYR 314 H 0.31 0.84 0.42 -0.55 8.29 9.31 2f83A1 TYR 314 HA 0.24 0.24 1.05 -0.75 4.56 5.34 2f83A1 TYR 314 HB2 0.34 -0.13 0.04 -0.04 3.06 3.26 2f83A1 TYR 314 HB3 0.26 -0.00 0.21 -0.04 2.98 3.41 2f83A1 TYR 314 HD2 0.07 -0.02 -0.25 -0.04 7.15 6.91 2f83A1 TYR 314 HE2 0.02 0.09 -0.28 -0.04 6.85 6.65 2f83A1 THR 315 H -0.38 1.15 0.44 -0.55 8.28 8.93 2f83A1 THR 315 HA -0.18 0.24 1.11 -0.75 4.39 4.80 2f83A1 THR 315 HB -0.04 -0.00 0.12 -0.04 4.32 4.36 2f83A1 THR 315 HG23 -0.05 -0.01 0.04 -0.04 1.22 1.15 2f83A1 PRO 316 HA -0.06 -0.01 0.53 -0.51 4.44 4.38 2f83A1 PRO 316 HB2 0.04 0.13 0.02 -0.04 2.28 2.43 2f83A1 PRO 316 HB3 0.14 -0.10 0.10 -0.04 2.02 2.13 2f83A1 PRO 316 HG2 -0.02 0.03 0.02 -0.04 2.03 2.02 2f83A1 PRO 316 HG3 0.03 -0.00 0.08 -0.04 2.03 2.10 2f83A1 PRO 316 HD2 -0.08 0.25 0.41 -0.04 3.68 4.21 2f83A1 PRO 316 HD3 -0.02 0.08 0.16 -0.04 3.65 3.84 2f83A1 ALA 317 H 0.03 0.15 0.19 -0.55 8.40 8.22 2f83A1 ALA 317 HA -0.01 -0.02 0.50 -0.75 4.34 4.05 2f83A1 ALA 317 HB3 0.02 0.07 -0.01 -0.04 1.41 1.46 2f83A1 GLN 318 H -0.00 0.07 0.17 -0.55 8.47 8.16 2f83A1 GLN 318 HA -0.00 -0.04 0.37 -0.75 4.36 3.93 2f83A1 GLN 318 HB2 0.00 -0.02 0.19 -0.04 2.15 2.28 2f83A1 GLN 318 HB3 0.00 -0.04 0.03 -0.04 2.02 1.96 2f83A1 GLN 318 HG2 -0.01 0.07 0.11 -0.04 2.40 2.53 2f83A1 GLN 318 HG3 0.00 -0.02 0.06 -0.04 2.39 2.39 2f83A1 GLN 318 HE21 -0.00 -0.03 0.00 -0.04 6.97 6.90 2f83A1 GLN 318 HE22 0.00 0.00 0.01 -0.04 7.69 7.66 2f83A1 ALA 319 H 0.00 0.04 0.19 -0.55 8.40 8.08 2f83A1 ALA 319 HA 0.00 -0.01 0.41 -0.75 4.34 3.99 2f83A1 ALA 319 HB3 0.00 0.02 0.05 -0.04 1.41 1.44 2f83A1 SER 320 H 0.00 0.07 0.16 -0.55 8.46 8.15 2f83A1 SER 320 HA 0.01 0.15 0.38 -0.75 4.49 4.27 2f83A1 SER 320 HB2 0.00 -0.03 0.12 -0.04 3.95 4.00 2f83A1 SER 320 HB3 0.00 -0.04 0.06 -0.04 3.93 3.91 2f83A1 CYS 321 H 0.01 -0.08 -0.37 -0.55 8.50 7.51 2f83A1 CYS 321 HA 0.01 -0.00 0.32 -0.75 4.58 4.15 2f83A1 CYS 321 HB2 0.00 -0.02 -0.01 -0.04 2.97 2.90 2f83A1 CYS 321 HB3 0.00 -0.08 0.06 -0.04 2.97 2.91 2f83A1 ASN 322 H 0.01 0.39 -0.16 -0.55 8.53 8.23 2f83A1 ASN 322 HA 0.01 -0.04 0.65 -0.75 4.76 4.63 2f83A1 ASN 322 HB2 0.01 0.01 0.06 -0.04 2.88 2.92 2f83A1 ASN 322 HB3 0.01 0.07 -0.08 -0.04 2.79 2.75 2f83A1 ASN 322 HD21 0.01 -0.04 -0.02 -0.04 7.03 6.94 2f83A1 ASN 322 HD22 0.01 -0.02 0.00 -0.04 7.74 7.68 2f83A1 GLU 323 H 0.01 0.01 0.11 -0.55 8.60 8.18 2f83A1 GLU 323 HA 0.02 0.11 0.24 -0.75 4.29 3.90 2f83A1 GLU 323 HB2 0.02 -0.27 0.18 -0.04 2.09 1.98 2f83A1 GLU 323 HB3 0.01 0.04 0.15 -0.04 1.99 2.15 2f83A1 GLU 323 HG2 0.01 -0.00 0.04 -0.04 2.34 2.35 2f83A1 GLU 323 HG3 0.01 0.03 0.12 -0.04 2.34 2.46 2f83A1 GLY 324 H 0.03 0.05 0.11 -0.55 8.43 8.07 2f83A1 GLY 324 HA2 0.06 0.09 0.50 -0.51 4.01 4.15 2f83A1 GLY 324 HA3 0.05 -0.06 0.40 -0.51 4.01 3.89 2f83A1 LYS 325 H 0.05 0.03 0.01 -0.55 8.42 7.95 2f83A1 LYS 325 HA 0.06 -0.07 0.22 -0.75 4.32 3.77 2f83A1 LYS 325 HB2 0.03 0.02 -0.11 -0.04 1.87 1.76 2f83A1 LYS 325 HB3 0.03 0.06 0.08 -0.04 1.79 1.91 2f83A1 LYS 325 HG2 0.03 0.02 0.04 -0.04 1.46 1.49 2f83A1 LYS 325 HG3 0.03 -0.10 0.04 -0.04 1.46 1.38 2f83A1 LYS 325 HD2 0.02 -0.01 -0.02 -0.04 1.69 1.63 2f83A1 LYS 325 HD3 0.01 0.04 -0.00 -0.04 1.68 1.69 2f83A1 LYS 325 HE2 0.01 0.01 0.01 -0.04 2.99 2.98 2f83A1 LYS 325 HE3 0.01 -0.03 0.01 -0.04 2.99 2.94 2f83A1 GLY 326 H 0.16 0.20 -0.14 -0.55 8.43 8.11 2f83A1 GLY 326 HA2 -0.03 0.16 0.71 -0.51 4.01 4.34 2f83A1 GLY 326 HA3 0.01 -0.08 0.43 -0.51 4.01 3.85 2f83A1 LYS 327 H -0.32 0.89 0.36 -0.55 8.42 8.80 2f83A1 LYS 327 HA 0.01 0.24 1.05 -0.75 4.32 4.86 2f83A1 LYS 327 HB2 0.05 0.06 0.14 -0.04 1.87 2.07 2f83A1 LYS 327 HB3 0.33 -0.04 -0.03 -0.04 1.79 2.00 2f83A1 LYS 327 HG2 0.06 -0.03 -0.07 -0.04 1.46 1.39 2f83A1 LYS 327 HG3 -0.07 -0.00 -0.09 -0.04 1.46 1.25 2f83A1 LYS 327 HD2 -0.01 -0.05 -0.14 -0.04 1.69 1.45 2f83A1 LYS 327 HD3 -0.00 0.24 -0.51 -0.04 1.68 1.37 2f83A1 LYS 327 HE2 -0.01 0.01 -0.14 -0.04 2.99 2.81 2f83A1 LYS 327 HE3 0.02 -0.05 -0.07 -0.04 2.99 2.84 2f83A1 CYS 328 H 0.06 0.74 0.23 -0.55 8.50 8.99 2f83A1 CYS 328 HA 0.35 0.09 0.97 -0.75 4.58 5.23 2f83A1 CYS 328 HB2 0.29 -0.05 -0.17 -0.04 2.97 3.00 2f83A1 CYS 328 HB3 0.11 0.07 0.07 -0.04 2.97 3.18 2f83A1 TYR 329 H 0.48 0.61 0.29 -0.55 8.29 9.13 2f83A1 TYR 329 HA 0.08 0.25 1.13 -0.75 4.56 5.26 2f83A1 TYR 329 HB2 0.11 0.00 0.26 -0.04 3.06 3.39 2f83A1 TYR 329 HB3 0.08 0.02 -0.03 -0.04 2.98 3.01 2f83A1 TYR 329 HD2 0.04 0.02 -0.14 -0.04 7.15 7.03 2f83A1 TYR 329 HE2 -0.00 -0.01 -0.07 -0.04 6.85 6.72 2f83A1 LEU 330 H 0.09 0.94 0.42 -0.55 8.37 9.27 2f83A1 LEU 330 HA 0.18 0.09 0.77 -0.75 4.35 4.64 2f83A1 LEU 330 HB2 0.03 -0.12 0.21 -0.04 1.64 1.71 2f83A1 LEU 330 HB3 0.04 0.07 0.03 -0.04 1.64 1.74 2f83A1 LEU 330 HG 0.05 0.05 -0.11 -0.04 1.64 1.59 2f83A1 LEU 330 HD13 0.01 0.01 -0.14 -0.04 0.93 0.77 2f83A1 LEU 330 HD23 0.08 -0.00 -0.24 -0.04 0.89 0.68 2f83A1 LYS 331 H 0.01 0.71 0.51 -0.55 8.42 9.09 2f83A1 LYS 331 HA -0.06 0.22 1.12 -0.75 4.32 4.85 2f83A1 LYS 331 HB2 -0.21 0.00 -0.15 -0.04 1.87 1.48 2f83A1 LYS 331 HB3 0.01 -0.06 -0.11 -0.04 1.79 1.59 2f83A1 LYS 331 HG2 0.17 -0.01 -0.40 -0.04 1.46 1.17 2f83A1 LYS 331 HG3 0.21 0.01 -0.36 -0.04 1.46 1.27 2f83A1 LYS 331 HD2 0.40 0.06 -0.19 -0.04 1.69 1.92 2f83A1 LYS 331 HD3 0.26 -0.13 -0.21 -0.04 1.68 1.56 2f83A1 LYS 331 HE2 0.14 -0.07 -0.11 -0.04 2.99 2.91 2f83A1 LYS 331 HE3 0.14 -0.09 -0.04 -0.04 2.99 2.95 2f83A1 LEU 332 H -0.20 0.43 0.24 -0.55 8.37 8.29 2f83A1 LEU 332 HA -0.60 -0.00 0.71 -0.75 4.35 3.70 2f83A1 LEU 332 HB2 -0.10 0.20 0.17 -0.04 1.64 1.87 2f83A1 LEU 332 HB3 -0.15 0.09 -0.08 -0.04 1.64 1.45 2f83A1 LEU 332 HG -0.06 -0.13 -0.00 -0.04 1.64 1.41 2f83A1 LEU 332 HD13 -0.01 0.00 -0.18 -0.04 0.93 0.70 2f83A1 LEU 332 HD23 -0.03 0.01 -0.12 -0.04 0.89 0.71 2f83A1 SER 333 H -0.00 0.15 0.09 -0.55 8.46 8.15 2f83A1 SER 333 HA 0.09 0.15 0.82 -0.75 4.49 4.79 2f83A1 SER 333 HB2 0.14 0.04 0.11 -0.04 3.95 4.20 2f83A1 SER 333 HB3 0.37 0.01 0.11 -0.04 3.93 4.38 2f83A1 SER 334 H 0.07 0.15 0.02 -0.55 8.46 8.15 2f83A1 SER 334 HA 0.07 0.26 0.73 -0.75 4.49 4.79 2f83A1 SER 334 HB2 0.06 0.07 0.21 -0.04 3.95 4.25 2f83A1 SER 334 HB3 0.06 0.02 0.06 -0.04 3.93 4.02 2f83A1 ASN 335 H 0.09 0.13 -0.89 -0.55 8.53 7.31 2f83A1 ASN 335 HA 0.03 0.11 0.29 -0.75 4.76 4.44 2f83A1 ASN 335 HB2 0.04 0.05 0.10 -0.04 2.88 3.02 2f83A1 ASN 335 HB3 0.00 0.19 0.41 -0.04 2.79 3.35 2f83A1 ASN 335 HD21 0.03 -0.02 -0.04 -0.04 7.03 6.95 2f83A1 ASN 335 HD22 0.03 0.09 0.02 -0.04 7.74 7.83 2f83A1 GLY 336 H 0.08 0.16 -0.08 -0.55 8.43 8.04 2f83A1 GLY 336 HA2 0.37 0.09 0.69 -0.51 4.01 4.65 2f83A1 GLY 336 HA3 0.13 0.09 0.31 -0.51 4.01 4.03 2f83A1 SER 337 H 0.51 -0.04 0.00 -0.55 8.46 8.39 2f83A1 SER 337 HA -0.05 0.06 0.44 -0.75 4.49 4.18 2f83A1 SER 337 HB2 -0.75 -0.02 -0.13 -0.04 3.95 3.01 2f83A1 SER 337 HB3 -2.29 -0.05 -0.13 -0.04 3.93 1.42 2f83A1 PRO 338 HA -0.02 0.04 0.38 -0.51 4.44 4.32 2f83A1 PRO 338 HB2 0.01 -0.10 0.05 -0.04 2.28 2.20 2f83A1 PRO 338 HB3 0.01 0.02 -0.00 -0.04 2.02 2.01 2f83A1 PRO 338 HG2 0.08 -0.03 -0.04 -0.04 2.03 2.00 2f83A1 PRO 338 HG3 0.05 0.00 0.05 -0.04 2.03 2.10 2f83A1 PRO 338 HD2 0.10 1.00 0.29 -0.04 3.68 5.02 2f83A1 PRO 338 HD3 0.17 -0.12 0.22 -0.04 3.65 3.87 2f83A1 THR 339 H -0.05 0.14 0.08 -0.55 8.28 7.91 2f83A1 THR 339 HA -0.06 0.27 0.82 -0.75 4.39 4.67 2f83A1 THR 339 HB -0.02 0.03 -0.14 -0.04 4.32 4.16 2f83A1 THR 339 HG23 -0.00 -0.04 -0.06 -0.04 1.22 1.08 2f83A1 LYS 340 H -0.05 0.26 -0.00 -0.55 8.42 8.08 2f83A1 LYS 340 HA 0.02 0.23 0.87 -0.75 4.32 4.68 2f83A1 LYS 340 HB2 -0.06 0.07 -0.01 -0.04 1.87 1.83 2f83A1 LYS 340 HB3 -0.01 -0.04 0.14 -0.04 1.79 1.83 2f83A1 LYS 340 HG2 0.07 -0.05 -0.14 -0.04 1.46 1.29 2f83A1 LYS 340 HG3 0.17 0.02 -0.18 -0.04 1.46 1.43 2f83A1 LYS 340 HD2 -0.10 0.09 -0.49 -0.04 1.69 1.15 2f83A1 LYS 340 HD3 -0.28 -0.07 -0.29 -0.04 1.68 0.99 2f83A1 LYS 340 HE2 -0.18 -0.02 -0.31 -0.04 2.99 2.43 2f83A1 LYS 340 HE3 -0.41 0.26 -0.42 -0.04 2.99 2.37 2f83A1 ILE 341 H 0.00 0.25 -0.06 -0.55 8.25 7.90 2f83A1 ILE 341 HA -0.01 -0.01 0.48 -0.75 4.18 3.89 2f83A1 ILE 341 HB 0.00 0.08 0.01 -0.04 1.89 1.94 2f83A1 ILE 341 HG12 -0.00 0.11 0.12 -0.04 1.49 1.67 2f83A1 ILE 341 HG13 -0.01 -0.03 0.12 -0.04 1.21 1.24 2f83A1 ILE 341 HG23 -0.00 -0.02 -0.03 -0.04 0.93 0.84 2f83A1 ILE 341 HD13 -0.02 -0.02 -0.05 -0.04 0.88 0.75 2f83A1 LEU 342 H -0.03 0.08 0.27 -0.55 8.37 8.14 2f83A1 LEU 342 HA -0.05 0.04 0.53 -0.75 4.35 4.11 2f83A1 LEU 342 HB2 -0.17 0.00 0.23 -0.04 1.64 1.66 2f83A1 LEU 342 HB3 -0.42 -0.28 0.33 -0.04 1.64 1.23 2f83A1 LEU 342 HG -0.05 0.18 0.02 -0.04 1.64 1.75 2f83A1 LEU 342 HD13 -0.07 -0.02 0.13 -0.04 0.93 0.93 2f83A1 LEU 342 HD23 -0.07 -0.00 0.10 -0.04 0.89 0.87 2f83A1 HIS 343 H -0.36 -0.01 0.23 -0.55 8.41 7.72 2f83A1 HIS 343 HA 0.02 0.09 0.41 -0.75 4.63 4.40 2f83A1 HIS 343 HB2 0.02 -0.07 0.09 -0.04 3.26 3.26 2f83A1 HIS 343 HB3 0.03 0.02 0.23 -0.04 3.20 3.44 2f83A1 HIS 343 HD2 0.03 0.01 0.10 -0.04 6.97 7.07 2f83A1 HIS 343 HE1 0.02 0.02 0.02 -0.04 7.75 7.77 2f83A1 GLY 344 H 0.10 -0.04 0.20 -0.55 8.43 8.15 2f83A1 GLY 344 HA2 0.03 -0.03 0.41 -0.51 4.01 3.91 2f83A1 GLY 344 HA3 0.05 0.24 0.76 -0.51 4.01 4.55 2f83A1 ARG 345 H 0.01 0.14 0.10 -0.55 8.46 8.16 2f83A1 ARG 345 HA -0.01 0.01 0.32 -0.75 4.34 3.91 2f83A1 ARG 345 HB2 -0.01 0.45 -0.10 -0.04 1.90 2.20 2f83A1 ARG 345 HB3 -0.04 -0.05 0.02 -0.04 1.80 1.69 2f83A1 ARG 345 HG2 -0.02 0.00 -0.09 -0.04 1.67 1.52 2f83A1 ARG 345 HG3 -0.01 -0.06 -0.03 -0.04 1.67 1.53 2f83A1 ARG 345 HD2 0.01 -0.20 -0.25 -0.04 3.22 2.75 2f83A1 ARG 345 HD3 0.01 0.38 -0.43 -0.04 3.22 3.14 2f83A1 GLY 346 H 0.02 -0.11 -1.47 -0.55 8.43 6.33 2f83A1 GLY 346 HA2 0.03 -0.05 0.28 -0.51 4.01 3.76 2f83A1 GLY 346 HA3 0.01 -0.03 0.27 -0.51 4.01 3.76 2f83A1 GLY 347 H -0.02 0.10 -0.27 -0.55 8.43 7.70 2f83A1 GLY 347 HA2 -0.03 0.28 1.00 -0.51 4.01 4.75 2f83A1 GLY 347 HA3 -0.07 0.03 0.23 -0.51 4.01 3.69 2f83A1 ILE 348 H 0.03 0.52 0.36 -0.55 8.25 8.61 2f83A1 ILE 348 HA -0.09 0.47 1.03 -0.75 4.18 4.85 2f83A1 ILE 348 HB -0.09 -0.02 -0.05 -0.04 1.89 1.70 2f83A1 ILE 348 HG12 -0.53 -0.00 -0.43 -0.04 1.49 0.48 2f83A1 ILE 348 HG13 -0.54 -0.05 -0.09 -0.04 1.21 0.50 2f83A1 ILE 348 HG23 0.22 0.03 0.16 -0.04 0.93 1.30 2f83A1 ILE 348 HD13 0.43 0.01 -0.30 -0.04 0.88 0.97 2f83A1 SER 349 H -0.25 0.60 0.36 -0.55 8.46 8.63 2f83A1 SER 349 HA -0.55 0.15 1.34 -0.75 4.49 4.67 2f83A1 SER 349 HB2 -1.67 -0.02 0.00 -0.04 3.95 2.21 2f83A1 SER 349 HB3 -1.34 0.16 0.21 -0.04 3.93 2.92 2f83A1 GLY 350 H -1.38 0.49 0.41 -0.55 8.43 7.40 2f83A1 GLY 350 HA2 -0.04 0.19 0.72 -0.51 4.01 4.37 2f83A1 GLY 350 HA3 -0.31 -0.01 0.45 -0.51 4.01 3.62 2f83A1 TYR 351 H 0.35 0.19 0.27 -0.55 8.29 8.55 2f83A1 TYR 351 HA 0.29 0.27 1.06 -0.75 4.56 5.43 2f83A1 TYR 351 HB2 0.20 -0.07 0.16 -0.04 3.06 3.31 2f83A1 TYR 351 HB3 0.22 0.05 0.23 -0.04 2.98 3.44 2f83A1 TYR 351 HD2 0.24 0.12 0.12 -0.04 7.15 7.59 2f83A1 TYR 351 HE2 0.01 0.01 -0.03 -0.04 6.85 6.81 2f83A1 THR 352 H 0.36 0.47 0.13 -0.55 8.28 8.69 2f83A1 THR 352 HA 0.21 0.05 0.19 -0.75 4.39 4.09 2f83A1 THR 352 HB 0.15 0.18 -0.10 -0.04 4.32 4.51 2f83A1 THR 352 HG23 0.16 -0.01 0.05 -0.04 1.22 1.38 2f83A1 LEU 353 H 0.18 0.04 -0.38 -0.55 8.37 7.66 2f83A1 LEU 353 HA 0.06 -0.10 0.37 -0.75 4.35 3.93 2f83A1 LEU 353 HB2 0.06 0.06 -0.39 -0.04 1.64 1.33 2f83A1 LEU 353 HB3 0.03 0.13 -0.06 -0.04 1.64 1.69 2f83A1 LEU 353 HG 0.03 -0.01 0.03 -0.04 1.64 1.65 2f83A1 LEU 353 HD13 0.06 -0.02 -0.04 -0.04 0.93 0.89 2f83A1 LEU 353 HD23 0.04 0.00 -0.08 -0.04 0.89 0.81 2f83A1 ARG 354 H 0.05 1.28 -0.20 -0.55 8.46 9.03 2f83A1 ARG 354 HA -0.00 0.02 0.44 -0.75 4.34 4.05 2f83A1 ARG 354 HB2 0.00 0.22 0.22 -0.04 1.90 2.30 2f83A1 ARG 354 HB3 0.03 0.02 0.11 -0.04 1.80 1.92 2f83A1 ARG 354 HG2 -0.02 0.04 0.18 -0.04 1.67 1.83 2f83A1 ARG 354 HG3 -0.01 0.02 -0.01 -0.04 1.67 1.64 2f83A1 ARG 354 HD2 0.01 -0.13 -0.53 -0.04 3.22 2.52 2f83A1 ARG 354 HD3 -0.02 -0.02 -0.10 -0.04 3.22 3.04 2f83A1 LEU 355 H 0.04 -0.26 -1.16 -0.55 8.37 6.44 2f83A1 LEU 355 HA -0.02 0.22 0.54 -0.75 4.35 4.33 2f83A1 LEU 355 HB2 0.02 -0.24 0.04 -0.04 1.64 1.42 2f83A1 LEU 355 HB3 0.08 0.20 0.06 -0.04 1.64 1.93 2f83A1 LEU 355 HG 0.09 -0.07 -0.07 -0.04 1.64 1.56 2f83A1 LEU 355 HD13 0.06 -0.04 -0.04 -0.04 0.93 0.87 2f83A1 LEU 355 HD23 0.10 0.05 -0.03 -0.04 0.89 0.97 2f83A1 CYS 356 H 0.00 0.24 0.04 -0.55 8.50 8.23 2f83A1 CYS 356 HA -0.01 -0.02 0.25 -0.75 4.58 4.05 2f83A1 CYS 356 HB2 -0.00 0.11 0.07 -0.04 2.97 3.11 2f83A1 CYS 356 HB3 -0.01 -0.05 0.05 -0.04 2.97 2.92 2f83A1 LYS 357 H -0.03 0.27 -0.49 -0.55 8.42 7.61 2f83A1 LYS 357 HA -0.03 -0.03 0.35 -0.75 4.32 3.86 2f83A1 LYS 357 HB2 -0.06 0.25 0.01 -0.04 1.87 2.03 2f83A1 LYS 357 HB3 -0.07 0.11 -0.03 -0.04 1.79 1.76 2f83A1 LYS 357 HG2 -0.02 -0.15 -0.02 -0.04 1.46 1.22 2f83A1 LYS 357 HG3 -0.04 0.11 0.01 -0.04 1.46 1.50 2f83A1 LYS 357 HD2 -0.03 -0.09 -0.04 -0.04 1.69 1.49 2f83A1 LYS 357 HD3 -0.07 0.20 -0.07 -0.04 1.68 1.70 2f83A1 LYS 357 HE2 -0.01 -0.15 -0.09 -0.04 2.99 2.70 2f83A1 LYS 357 HE3 -0.03 0.05 0.07 -0.04 2.99 3.03 2f83A1 MET 358 H -0.10 0.62 -0.53 -0.55 8.47 7.91 2f83A1 MET 358 HA -0.16 -0.06 0.72 -0.75 4.52 4.26 2f83A1 MET 358 HB2 -0.30 0.14 0.08 -0.04 2.15 2.03 2f83A1 MET 358 HB3 -0.54 -0.02 0.12 -0.04 2.03 1.55 2f83A1 MET 358 HG2 -1.00 0.07 -0.01 -0.04 2.63 1.64 2f83A1 MET 358 HG3 -0.53 -0.15 0.12 -0.04 2.56 1.96 2f83A1 MET 358 HE3 -0.16 0.07 -0.11 -0.04 2.10 1.86 2f83A1 ASP 359 H -0.06 0.62 -0.45 -0.55 8.40 7.96 2f83A1 ASP 359 HA -0.02 0.07 0.84 -0.75 4.63 4.77 2f83A1 ASP 359 HB2 0.02 -0.01 -0.03 -0.04 2.71 2.66 2f83A1 ASP 359 HB3 -0.01 0.03 0.06 -0.04 2.70 2.74 2f83A1 ASN 360 H -0.18 0.14 0.04 -0.55 8.53 7.98 2f83A1 ASN 360 HA -0.08 -0.02 0.35 -0.75 4.76 4.26 2f83A1 ASN 360 HB2 -0.35 -0.01 0.11 -0.04 2.88 2.59 2f83A1 ASN 360 HB3 -0.16 -0.04 0.11 -0.04 2.79 2.66 2f83A1 ASN 360 HD21 0.05 0.06 -0.02 -0.04 7.03 7.08 2f83A1 ASN 360 HD22 0.06 -0.05 0.01 -0.04 7.74 7.72 2f83A1 GLU 361 H -0.04 0.06 0.24 -0.55 8.60 8.31 2f83A1 GLU 361 HA -0.04 -0.10 0.64 -0.75 4.29 4.03 2f83A1 GLU 361 HB2 -0.11 -0.03 0.10 -0.04 2.09 2.00 2f83A1 GLU 361 HB3 -0.04 0.09 0.16 -0.04 1.99 2.15 2f83A1 GLU 361 HG2 -0.02 -0.04 0.16 -0.04 2.34 2.39 2f83A1 GLU 361 HG3 -0.22 0.05 -0.06 -0.04 2.34 2.06 2f83A1 CYS 362 H -0.04 -0.17 0.34 -0.55 8.50 8.08 2f83A1 CYS 362 HA -0.03 0.31 0.32 -0.75 4.58 4.43 2f83A1 CYS 362 HB2 -0.04 -0.14 -0.31 -0.04 2.97 2.44 2f83A1 CYS 362 HB3 -0.05 0.22 0.25 -0.04 2.97 3.34 2f83A1 THR 363 H -0.02 -0.23 0.30 -0.55 8.28 7.79 2f83A1 THR 363 HA 0.02 0.22 0.83 -0.75 4.39 4.71 2f83A1 THR 363 HB -0.00 -0.03 -0.05 -0.04 4.32 4.19 2f83A1 THR 363 HG23 -0.01 0.03 -0.27 -0.04 1.22 0.92 2f83A1 THR 364 H -0.00 -0.30 0.20 -0.55 8.28 7.62 2f83A1 THR 364 HA 0.01 -0.02 0.38 -0.75 4.39 4.01 2f83A1 THR 364 HB 0.01 -0.02 0.10 -0.04 4.32 4.36 2f83A1 THR 364 HG23 -0.02 -0.05 0.13 -0.04 1.22 1.24 2f83A1 LYS 365 H 0.03 -0.05 0.15 -0.55 8.42 8.00 2f83A1 LYS 365 HA 0.06 0.25 0.38 -0.75 4.32 4.25 2f83A1 LYS 365 HB2 0.04 -0.06 0.10 -0.04 1.87 1.91 2f83A1 LYS 365 HB3 0.03 0.05 0.14 -0.04 1.79 1.98 2f83A1 LYS 365 HG2 0.04 -0.01 -0.00 -0.04 1.46 1.44 2f83A1 LYS 365 HG3 0.03 -0.07 0.09 -0.04 1.46 1.47 2f83A1 LYS 365 HD2 0.03 0.05 -0.48 -0.04 1.69 1.25 2f83A1 LYS 365 HD3 0.03 -0.01 -0.26 -0.04 1.68 1.40 2f83A1 LYS 365 HE2 0.03 -0.01 -0.11 -0.04 2.99 2.86 2f83A1 LYS 365 HE3 0.03 -0.02 -0.07 -0.04 2.99 2.89 2f83A1 ILE 366 H 0.05 0.21 0.12 -0.55 8.25 8.09 2f83A1 ILE 366 HA 0.04 0.16 0.75 -0.75 4.18 4.37 2f83A1 ILE 366 HB 0.07 -0.08 -0.01 -0.04 1.89 1.83 2f83A1 ILE 366 HG12 0.39 -0.00 -0.09 -0.04 1.49 1.74 2f83A1 ILE 366 HG13 0.20 0.19 -0.46 -0.04 1.21 1.10 2f83A1 ILE 366 HG23 -0.02 0.04 0.00 -0.04 0.93 0.91 2f83A1 ILE 366 HD13 0.13 -0.04 -0.02 -0.04 0.88 0.91 2f83A1 LYS 367 H -0.00 0.16 0.08 -0.55 8.42 8.10 2f83A1 LYS 367 HA 0.00 0.09 0.64 -0.75 4.32 4.29 2f83A1 LYS 367 HB2 -0.01 0.01 0.04 -0.04 1.87 1.88 2f83A1 LYS 367 HB3 0.00 -0.06 0.05 -0.04 1.79 1.74 2f83A1 LYS 367 HG2 -0.01 -0.03 0.10 -0.04 1.46 1.48 2f83A1 LYS 367 HG3 -0.03 0.16 -0.00 -0.04 1.46 1.55 2f83A1 LYS 367 HD2 -0.01 -0.00 -0.03 -0.04 1.69 1.61 2f83A1 LYS 367 HD3 -0.00 -0.05 -0.01 -0.04 1.68 1.58 2f83A1 LYS 367 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2f83A1 LYS 367 HE3 -0.02 0.05 -0.02 -0.04 2.99 2.96 2f83A1 PRO 368 HA -0.03 -0.04 0.35 -0.51 4.44 4.21 2f83A1 PRO 368 HB2 -0.01 0.03 -0.01 -0.04 2.28 2.24 2f83A1 PRO 368 HB3 -0.01 -0.03 0.09 -0.04 2.02 2.03 2f83A1 PRO 368 HG2 -0.00 0.02 0.08 -0.04 2.03 2.09 2f83A1 PRO 368 HG3 -0.00 0.05 0.12 -0.04 2.03 2.16 2f83A1 PRO 368 HD2 -0.00 0.07 0.17 -0.04 3.68 3.88 2f83A1 PRO 368 HD3 0.00 0.19 0.28 -0.04 3.65 4.08 2f83A1 ARG 369 H -0.04 -0.04 0.14 -0.55 8.46 7.97 2f83A1 ARG 369 HA -0.04 0.00 0.34 -0.75 4.34 3.89 2f83A1 ARG 369 HB2 -0.08 -0.04 0.01 -0.04 1.90 1.76 2f83A1 ARG 369 HB3 -0.06 0.27 0.30 -0.04 1.80 2.26 2f83A1 ARG 369 HG2 -0.12 -0.07 -0.51 -0.04 1.67 0.94 2f83A1 ARG 369 HG3 -0.18 -0.08 -0.17 -0.04 1.67 1.21 2f83A1 ARG 369 HD2 -0.26 -0.05 -0.15 -0.04 3.22 2.72 2f83A1 ARG 369 HD3 -0.16 -0.00 -0.19 -0.04 3.22 2.82 2f83A1 ILE 370 H -0.08 0.03 0.11 -0.55 8.25 7.76 2f83A1 ILE 370 HA -0.11 0.07 0.30 -0.75 4.18 3.69 2f83A1 ILE 370 HB 0.01 -0.07 0.17 -0.04 1.89 1.96 2f83A1 ILE 370 HG12 -0.02 -0.21 0.05 -0.04 1.49 1.26 2f83A1 ILE 370 HG13 0.00 0.06 0.05 -0.04 1.21 1.29 2f83A1 ILE 370 HG23 0.02 0.05 0.09 -0.04 0.93 1.04 2f83A1 ILE 370 HD13 -0.06 0.04 0.08 -0.04 0.88 0.90 2f83A1 VAL 371 H 0.03 -0.01 0.13 -0.55 8.24 7.84 2f83A1 VAL 371 HA 0.05 -0.02 0.33 -0.75 4.13 3.73 2f83A1 VAL 371 HB 0.02 -0.05 -0.05 -0.04 2.12 2.00 2f83A1 VAL 371 HG13 0.01 0.15 -0.16 -0.04 0.97 0.93 2f83A1 VAL 371 HG23 0.03 -0.23 0.11 -0.04 0.95 0.82 2f83A1 GLY 372 H 0.04 0.09 0.09 -0.55 8.43 8.09 2f83A1 GLY 372 HA2 0.03 -0.02 0.36 -0.51 4.01 3.87 2f83A1 GLY 372 HA3 0.04 0.24 0.35 -0.51 4.01 4.14 2f83A1 GLY 373 H 0.10 0.13 -0.92 -0.55 8.43 7.19 2f83A1 GLY 373 HA2 0.16 -0.09 0.25 -0.51 4.01 3.81 2f83A1 GLY 373 HA3 0.09 -0.00 0.37 -0.51 4.01 3.95 2f83A1 THR 374 H 0.18 -0.03 -0.15 -0.55 8.28 7.74 2f83A1 THR 374 HA 0.11 -0.12 0.28 -0.75 4.39 3.90 2f83A1 THR 374 HB 0.05 0.22 0.23 -0.04 4.32 4.78 2f83A1 THR 374 HG23 0.01 -0.02 0.08 -0.04 1.22 1.25 2f83A1 ALA 375 H 0.02 -0.08 0.12 -0.55 8.40 7.92 2f83A1 ALA 375 HA 0.01 0.00 0.31 -0.75 4.34 3.91 2f83A1 ALA 375 HB3 0.03 0.01 0.19 -0.04 1.41 1.59 2f83A1 SER 376 H 0.00 0.13 0.23 -0.55 8.46 8.27 2f83A1 SER 376 HA 0.15 -0.01 0.42 -0.75 4.49 4.30 2f83A1 SER 376 HB2 -0.04 0.05 0.10 -0.04 3.95 4.02 2f83A1 SER 376 HB3 0.20 0.02 -0.04 -0.04 3.93 4.07 2f83A1 VAL 377 H -0.00 0.09 0.13 -0.55 8.24 7.91 2f83A1 VAL 377 HA -0.01 0.11 0.66 -0.75 4.13 4.14 2f83A1 VAL 377 HB -0.03 0.15 0.04 -0.04 2.12 2.23 2f83A1 VAL 377 HG13 -0.14 -0.03 -0.08 -0.04 0.97 0.68 2f83A1 VAL 377 HG23 -0.05 0.05 -0.02 -0.04 0.95 0.89 2f83A1 ARG 378 H -0.01 0.12 0.12 -0.55 8.46 8.13 2f83A1 ARG 378 HA -0.00 -0.01 0.35 -0.75 4.34 3.92 2f83A1 ARG 378 HB2 -0.01 -0.00 0.15 -0.04 1.90 2.00 2f83A1 ARG 378 HB3 -0.01 0.05 -0.06 -0.04 1.80 1.73 2f83A1 ARG 378 HG2 0.02 -0.05 0.05 -0.04 1.67 1.64 2f83A1 ARG 378 HG3 0.01 0.01 0.03 -0.04 1.67 1.67 2f83A1 ARG 378 HD2 0.01 0.00 -0.06 -0.04 3.22 3.13 2f83A1 ARG 378 HD3 0.01 -0.06 0.01 -0.04 3.22 3.14 2f83A1 GLY 379 H -0.03 0.12 0.09 -0.55 8.43 8.06 2f83A1 GLY 379 HA2 -0.07 0.06 0.35 -0.51 4.01 3.84 2f83A1 GLY 379 HA3 -0.07 0.09 0.30 -0.51 4.01 3.83 2f83A1 GLU 380 H -0.19 0.51 -0.59 -0.55 8.60 7.79 2f83A1 GLU 380 HA -0.49 0.08 0.33 -0.75 4.29 3.46 2f83A1 GLU 380 HB2 -0.37 -0.01 0.00 -0.04 2.09 1.67 2f83A1 GLU 380 HB3 -0.40 0.04 0.04 -0.04 1.99 1.63 2f83A1 GLU 380 HG2 -3.20 -0.03 -0.25 -0.04 2.34 -1.17 2f83A1 GLU 380 HG3 -1.29 0.01 0.01 -0.04 2.34 1.03 2f83A1 TRP 381 H -0.24 0.06 -0.39 -0.55 7.97 6.85 2f83A1 TRP 381 HA -1.39 0.22 0.72 -0.75 4.62 3.42 2f83A1 TRP 381 HB2 -0.73 -0.02 0.16 -0.04 3.23 2.59 2f83A1 TRP 381 HB3 -1.45 0.00 0.04 -0.04 3.23 1.78 2f83A1 TRP 381 HD1 -0.37 0.03 -0.12 -0.04 7.22 6.72 2f83A1 TRP 381 HE1 -0.28 -0.08 -0.07 -0.04 10.20 9.74 2f83A1 TRP 381 HE3 -0.79 0.01 -0.07 -0.04 7.59 6.70 2f83A1 TRP 381 HZ2 -0.42 -0.06 -0.09 -0.04 7.44 6.83 2f83A1 TRP 381 HZ3 -0.92 0.00 -0.12 -0.04 7.13 6.06 2f83A1 TRP 381 HH2 -1.36 -0.02 -0.13 -0.04 7.19 5.64 2f83A1 PRO 382 HA -0.07 0.23 0.43 -0.51 4.44 4.53 2f83A1 PRO 382 HB2 0.09 -0.69 -0.07 -0.04 2.28 1.56 2f83A1 PRO 382 HB3 -0.02 0.20 -0.26 -0.04 2.02 1.90 2f83A1 PRO 382 HG2 0.27 0.07 -0.15 -0.04 2.03 2.18 2f83A1 PRO 382 HG3 0.07 0.13 -0.07 -0.04 2.03 2.12 2f83A1 PRO 382 HD2 -0.57 0.08 -0.01 -0.04 3.68 3.14 2f83A1 PRO 382 HD3 -0.28 0.47 -0.24 -0.04 3.65 3.56 2f83A1 TRP 383 H -0.67 0.02 -0.43 -0.55 7.97 6.35 2f83A1 TRP 383 HA 0.09 0.34 0.87 -0.75 4.62 5.17 2f83A1 TRP 383 HB2 0.07 -0.07 0.26 -0.04 3.23 3.45 2f83A1 TRP 383 HB3 0.04 0.11 -0.11 -0.04 3.23 3.23 2f83A1 TRP 383 HD1 0.05 -0.01 -0.20 -0.04 7.22 7.01 2f83A1 TRP 383 HE1 -0.03 -0.03 -0.11 -0.04 10.20 9.99 2f83A1 TRP 383 HE3 -0.03 0.09 -0.21 -0.04 7.59 7.39 2f83A1 TRP 383 HZ2 -0.26 -0.05 -0.08 -0.04 7.44 7.01 2f83A1 TRP 383 HZ3 -0.37 0.08 -0.05 -0.04 7.13 6.75 2f83A1 TRP 383 HH2 -2.08 0.00 -0.05 -0.04 7.19 5.03 2f83A1 GLN 384 H -0.32 0.27 -0.18 -0.55 8.47 7.69 2f83A1 GLN 384 HA 0.07 0.24 0.75 -0.75 4.36 4.67 2f83A1 GLN 384 HB2 -0.39 -0.08 0.09 -0.04 2.15 1.74 2f83A1 GLN 384 HB3 -0.15 0.06 0.14 -0.04 2.02 2.03 2f83A1 GLN 384 HG2 -0.34 -0.07 -0.06 -0.04 2.40 1.89 2f83A1 GLN 384 HG3 0.17 -0.00 -0.19 -0.04 2.39 2.32 2f83A1 GLN 384 HE21 -0.06 0.11 0.01 -0.04 6.97 6.99 2f83A1 GLN 384 HE22 -0.36 -0.13 -0.16 -0.04 7.69 7.00 2f83A1 VAL 385 H 0.20 0.37 0.36 -0.55 8.24 8.62 2f83A1 VAL 385 HA 0.21 0.15 0.84 -0.75 4.13 4.58 2f83A1 VAL 385 HB 0.16 0.04 -0.24 -0.04 2.12 2.04 2f83A1 VAL 385 HG13 0.17 -0.02 -0.40 -0.04 0.97 0.68 2f83A1 VAL 385 HG23 0.16 0.04 -0.34 -0.04 0.95 0.77 2f83A1 THR 386 H 0.12 0.68 0.28 -0.55 8.28 8.82 2f83A1 THR 386 HA 0.25 0.19 1.03 -0.75 4.39 5.11 2f83A1 THR 386 HB -0.70 -0.01 0.01 -0.04 4.32 3.58 2f83A1 THR 386 HG23 -0.29 0.02 0.07 -0.04 1.22 0.98 2f83A1 LEU 387 H 0.06 1.15 0.44 -0.55 8.37 9.48 2f83A1 LEU 387 HA 0.04 0.11 0.77 -0.75 4.35 4.52 2f83A1 LEU 387 HB2 -0.03 0.12 -0.19 -0.04 1.64 1.50 2f83A1 LEU 387 HB3 -0.11 -0.13 -0.03 -0.04 1.64 1.33 2f83A1 LEU 387 HG -0.00 -0.01 -0.21 -0.04 1.64 1.37 2f83A1 LEU 387 HD13 0.05 0.02 -0.12 -0.04 0.93 0.84 2f83A1 LEU 387 HD23 0.10 0.01 -0.37 -0.04 0.89 0.59 2f83A1 HIS 388 H 0.09 0.52 0.33 -0.55 8.41 8.80 2f83A1 HIS 388 HA -0.08 0.23 1.18 -0.75 4.63 5.20 2f83A1 HIS 388 HB2 0.11 0.14 0.10 -0.04 3.26 3.57 2f83A1 HIS 388 HB3 -0.01 0.00 -0.14 -0.04 3.20 3.01 2f83A1 HIS 388 HD2 -0.12 0.01 -0.21 -0.04 6.97 6.60 2f83A1 HIS 388 HE1 -0.19 -0.04 -0.09 -0.04 7.75 7.39 2f83A1 THR 389 H -0.09 0.60 0.31 -0.55 8.28 8.55 2f83A1 THR 389 HA -0.04 0.26 0.91 -0.75 4.39 4.77 2f83A1 THR 389 HB -0.08 -0.03 -0.02 -0.04 4.32 4.15 2f83A1 THR 389 HG23 -0.09 0.07 0.02 -0.04 1.22 1.19 2f83A1 THR 390 H -0.04 0.45 0.23 -0.55 8.28 8.37 2f83A1 THR 390 HA -0.05 0.03 0.41 -0.75 4.39 4.03 2f83A1 THR 390 HB -0.02 -0.04 0.02 -0.04 4.32 4.23 2f83A1 THR 390 HG23 -0.05 0.11 -0.04 -0.04 1.22 1.19 2f83A1 SER 391 H -0.04 0.01 -0.24 -0.55 8.46 7.64 2f83A1 SER 391 HA -0.03 0.21 0.66 -0.75 4.49 4.58 2f83A1 SER 391 HB2 -0.02 -0.04 -0.03 -0.04 3.95 3.82 2f83A1 SER 391 HB3 -0.03 -0.02 0.04 -0.04 3.93 3.88 2f83A1 PRO 392 HA -0.02 -0.00 0.39 -0.51 4.44 4.29 2f83A1 PRO 392 HB2 -0.02 0.01 -0.01 -0.04 2.28 2.22 2f83A1 PRO 392 HB3 -0.02 -0.02 0.08 -0.04 2.02 2.03 2f83A1 PRO 392 HG2 -0.03 -0.00 0.08 -0.04 2.03 2.04 2f83A1 PRO 392 HG3 -0.02 0.01 0.07 -0.04 2.03 2.04 2f83A1 PRO 392 HD2 -0.04 0.21 0.50 -0.04 3.68 4.31 2f83A1 PRO 392 HD3 -0.02 0.04 0.00 -0.04 3.65 3.63 2f83A1 THR 393 H -0.04 0.24 -0.07 -0.55 8.28 7.86 2f83A1 THR 393 HA -0.03 0.14 0.80 -0.75 4.39 4.55 2f83A1 THR 393 HB -0.04 -0.02 0.06 -0.04 4.32 4.28 2f83A1 THR 393 HG23 -0.03 -0.02 -0.13 -0.04 1.22 1.01 2f83A1 GLN 394 H -0.05 0.04 0.09 -0.55 8.47 8.00 2f83A1 GLN 394 HA -0.09 0.38 0.60 -0.75 4.36 4.50 2f83A1 GLN 394 HB2 -0.03 -0.04 0.08 -0.04 2.15 2.13 2f83A1 GLN 394 HB3 -0.05 -0.05 0.07 -0.04 2.02 1.95 2f83A1 GLN 394 HG2 -0.06 0.03 -0.22 -0.04 2.40 2.11 2f83A1 GLN 394 HG3 -0.00 -0.02 -0.19 -0.04 2.39 2.13 2f83A1 GLN 394 HE21 0.25 0.05 -0.15 -0.04 6.97 7.08 2f83A1 GLN 394 HE22 0.20 -0.02 -0.18 -0.04 7.69 7.65 2f83A1 ARG 395 H -0.23 0.55 0.33 -0.55 8.46 8.56 2f83A1 ARG 395 HA -0.40 0.05 0.60 -0.75 4.34 3.83 2f83A1 ARG 395 HB2 -0.14 -0.02 0.06 -0.04 1.90 1.77 2f83A1 ARG 395 HB3 -0.13 0.01 -0.23 -0.04 1.80 1.40 2f83A1 ARG 395 HG2 -0.12 0.25 -0.10 -0.04 1.67 1.66 2f83A1 ARG 395 HG3 -0.13 0.04 -0.20 -0.04 1.67 1.34 2f83A1 ARG 395 HD2 -0.06 0.01 -0.04 -0.04 3.22 3.09 2f83A1 ARG 395 HD3 -0.07 -0.09 -0.11 -0.04 3.22 2.91 2f83A1 HIS 396 H -0.24 0.10 0.13 -0.55 8.41 7.86 2f83A1 HIS 396 HA 0.04 0.12 0.53 -0.75 4.63 4.57 2f83A1 HIS 396 HB2 -0.12 -0.03 0.12 -0.04 3.26 3.19 2f83A1 HIS 396 HB3 -0.11 0.02 0.14 -0.04 3.20 3.21 2f83A1 HIS 396 HD2 0.04 0.02 -0.16 -0.04 6.97 6.83 2f83A1 HIS 396 HE1 0.12 0.04 -0.01 -0.04 7.75 7.86 2f83A1 LEU 397 H -0.29 0.88 0.56 -0.55 8.37 8.97 2f83A1 LEU 397 HA -0.17 0.20 1.00 -0.75 4.35 4.62 2f83A1 LEU 397 HB2 -0.14 0.02 0.01 -0.04 1.64 1.49 2f83A1 LEU 397 HB3 -0.17 -0.04 -0.08 -0.04 1.64 1.32 2f83A1 LEU 397 HG -0.27 -0.05 -0.28 -0.04 1.64 1.00 2f83A1 LEU 397 HD13 -0.12 0.01 0.13 -0.04 0.93 0.91 2f83A1 LEU 397 HD23 -0.22 0.06 -0.05 -0.04 0.89 0.64 2f83A1 CYS 398 H -0.54 0.34 0.36 -0.55 8.50 8.11 2f83A1 CYS 398 HA -0.17 -0.02 0.45 -0.75 4.58 4.09 2f83A1 CYS 398 HB2 -0.22 -0.10 -0.19 -0.04 2.97 2.42 2f83A1 CYS 398 HB3 -0.10 0.18 0.11 -0.04 2.97 3.13 2f83A1 GLY 399 H 0.07 0.74 0.24 -0.55 8.43 8.94 2f83A1 GLY 399 HA2 0.28 0.27 1.09 -0.51 4.01 5.14 2f83A1 GLY 399 HA3 0.24 -0.01 0.29 -0.51 4.01 4.03 2f83A1 GLY 400 H 0.19 0.38 0.33 -0.55 8.43 8.79 2f83A1 GLY 400 HA2 0.14 0.36 0.67 -0.51 4.01 4.67 2f83A1 GLY 400 HA3 0.15 -0.07 0.18 -0.51 4.01 3.75 2f83A1 SER 401 H 0.17 0.46 0.27 -0.55 8.46 8.82 2f83A1 SER 401 HA 0.32 0.54 1.18 -0.75 4.49 5.78 2f83A1 SER 401 HB2 0.16 -0.06 0.10 -0.04 3.95 4.10 2f83A1 SER 401 HB3 0.22 0.02 -0.02 -0.04 3.93 4.11 2f83A1 ILE 402 H 0.31 0.60 0.31 -0.55 8.25 8.93 2f83A1 ILE 402 HA 0.17 0.19 0.77 -0.75 4.18 4.56 2f83A1 ILE 402 HB 0.28 0.06 0.22 -0.04 1.89 2.41 2f83A1 ILE 402 HG12 0.10 0.00 -0.09 -0.04 1.49 1.45 2f83A1 ILE 402 HG13 0.18 0.01 -0.14 -0.04 1.21 1.21 2f83A1 ILE 402 HG23 0.26 0.02 -0.23 -0.04 0.93 0.95 2f83A1 ILE 402 HD13 0.17 0.03 -0.12 -0.04 0.88 0.91 2f83A1 ILE 403 H 0.19 0.41 0.30 -0.55 8.25 8.60 2f83A1 ILE 403 HA 0.09 0.29 0.98 -0.75 4.18 4.78 2f83A1 ILE 403 HB 0.05 0.01 0.08 -0.04 1.89 1.98 2f83A1 ILE 403 HG12 0.19 -0.00 -0.17 -0.04 1.49 1.46 2f83A1 ILE 403 HG13 0.18 -0.02 -0.32 -0.04 1.21 1.01 2f83A1 ILE 403 HG23 0.07 0.02 -0.20 -0.04 0.93 0.78 2f83A1 ILE 403 HD13 0.04 -0.01 -0.15 -0.04 0.88 0.72 2f83A1 GLY 404 H 0.22 0.37 0.24 -0.55 8.43 8.72 2f83A1 GLY 404 HA2 0.21 0.19 0.53 -0.51 4.01 4.44 2f83A1 GLY 404 HA3 0.30 0.01 0.33 -0.51 4.01 4.13 2f83A1 ASN 405 H 0.19 0.21 0.16 -0.55 8.53 8.55 2f83A1 ASN 405 HA -0.12 0.18 0.52 -0.75 4.76 4.59 2f83A1 ASN 405 HB2 0.04 -0.01 0.13 -0.04 2.88 3.01 2f83A1 ASN 405 HB3 -0.10 -0.05 0.06 -0.04 2.79 2.67 2f83A1 ASN 405 HD21 0.13 0.02 0.04 -0.04 7.03 7.19 2f83A1 ASN 405 HD22 0.09 0.00 0.07 -0.04 7.74 7.86 2f83A1 GLN 406 H 0.14 0.05 -0.15 -0.55 8.47 7.96 2f83A1 GLN 406 HA -0.29 0.29 0.83 -0.75 4.36 4.44 2f83A1 GLN 406 HB2 -0.08 -0.04 0.03 -0.04 2.15 2.02 2f83A1 GLN 406 HB3 -0.70 -0.03 0.16 -0.04 2.02 1.41 2f83A1 GLN 406 HG2 -0.25 0.14 -0.13 -0.04 2.40 2.13 2f83A1 GLN 406 HG3 -0.14 -0.07 -0.25 -0.04 2.39 1.88 2f83A1 GLN 406 HE21 -0.10 -0.06 -0.04 -0.04 6.97 6.73 2f83A1 GLN 406 HE22 -0.20 0.43 -0.01 -0.04 7.69 7.87 2f83A1 TRP 407 H 0.12 0.22 -0.35 -0.55 7.97 7.42 2f83A1 TRP 407 HA -0.02 0.51 1.20 -0.75 4.62 5.55 2f83A1 TRP 407 HB2 0.01 -0.09 -0.11 -0.04 3.23 3.00 2f83A1 TRP 407 HB3 -0.00 0.04 -0.14 -0.04 3.23 3.08 2f83A1 TRP 407 HD1 -0.02 -0.23 -0.18 -0.04 7.22 6.75 2f83A1 TRP 407 HE1 -0.04 -0.01 -0.08 -0.04 10.20 10.04 2f83A1 TRP 407 HE3 -0.04 -0.12 -0.12 -0.04 7.59 7.27 2f83A1 TRP 407 HZ2 -0.06 -0.04 -0.00 -0.04 7.44 7.30 2f83A1 TRP 407 HZ3 -0.09 -0.10 -0.19 -0.04 7.13 6.71 2f83A1 TRP 407 HH2 -0.09 -0.00 -0.03 -0.04 7.19 7.03 2f83A1 ILE 408 H 0.19 0.32 0.23 -0.55 8.25 8.45 2f83A1 ILE 408 HA 0.17 0.35 0.96 -0.75 4.18 4.90 2f83A1 ILE 408 HB 0.10 -0.06 0.00 -0.04 1.89 1.90 2f83A1 ILE 408 HG12 -0.00 -0.03 -0.41 -0.04 1.49 1.01 2f83A1 ILE 408 HG13 0.05 -0.02 -0.26 -0.04 1.21 0.94 2f83A1 ILE 408 HG23 0.14 0.00 -0.37 -0.04 0.93 0.67 2f83A1 ILE 408 HD13 0.08 0.04 -0.28 -0.04 0.88 0.67 2f83A1 LEU 409 H 0.17 0.74 0.32 -0.55 8.37 9.05 2f83A1 LEU 409 HA 0.18 0.16 0.92 -0.75 4.35 4.85 2f83A1 LEU 409 HB2 0.12 -0.02 0.03 -0.04 1.64 1.74 2f83A1 LEU 409 HB3 0.12 -0.03 0.13 -0.04 1.64 1.82 2f83A1 LEU 409 HG 0.10 0.04 -0.15 -0.04 1.64 1.59 2f83A1 LEU 409 HD13 0.17 0.02 0.01 -0.04 0.93 1.09 2f83A1 LEU 409 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.81 2f83A1 THR 410 H 0.14 0.74 0.36 -0.55 8.28 8.97 2f83A1 THR 410 HA 0.09 0.31 0.92 -0.75 4.39 4.96 2f83A1 THR 410 HB 0.17 -0.02 -0.37 -0.04 4.32 4.06 2f83A1 THR 410 HG23 0.34 0.02 -0.35 -0.04 1.22 1.19 2f83A1 ALA 411 H 0.01 0.22 0.17 -0.55 8.40 8.26 2f83A1 ALA 411 HA -0.06 0.20 0.73 -0.75 4.34 4.46 2f83A1 ALA 411 HB3 -0.16 0.01 0.03 -0.04 1.41 1.25 2f83A1 ALA 412 H -0.19 0.13 -0.38 -0.55 8.40 7.42 2f83A1 ALA 412 HA 0.01 0.14 0.17 -0.75 4.34 3.90 2f83A1 ALA 412 HB3 -0.78 0.04 -0.02 -0.04 1.41 0.62 2f83A1 HIS 413 H -0.09 0.08 -0.24 -0.55 8.41 7.61 2f83A1 HIS 413 HA 0.19 0.08 0.24 -0.75 4.63 4.39 2f83A1 HIS 413 HB2 0.11 0.01 0.12 -0.04 3.26 3.46 2f83A1 HIS 413 HB3 0.15 -0.09 0.07 -0.04 3.20 3.29 2f83A1 HIS 413 HD2 0.02 0.02 -0.24 -0.04 6.97 6.73 2f83A1 HIS 413 HE1 0.03 0.17 0.21 -0.04 7.75 8.11 2f83A1 CYS 414 H -0.27 0.37 -0.74 -0.55 8.50 7.30 2f83A1 CYS 414 HA -0.26 0.08 0.33 -0.75 4.58 3.98 2f83A1 CYS 414 HB2 -0.68 0.18 -0.02 -0.04 2.97 2.41 2f83A1 CYS 414 HB3 -0.83 -0.01 -0.08 -0.04 2.97 2.01 2f83A1 PHE 415 H 0.23 0.40 -0.43 -0.55 8.34 7.99 2f83A1 PHE 415 HA 0.03 0.24 0.84 -0.75 4.62 4.98 2f83A1 PHE 415 HB2 0.05 0.03 -0.04 -0.04 3.15 3.14 2f83A1 PHE 415 HB3 0.02 -0.01 0.02 -0.04 3.06 3.05 2f83A1 PHE 415 HD2 -0.02 0.13 -0.11 -0.04 7.28 7.24 2f83A1 PHE 415 HE2 -0.03 0.05 -0.23 -0.04 7.38 7.13 2f83A1 PHE 415 HZ -0.00 -0.00 -0.25 -0.04 7.32 7.03 2f83A1 TYR 416 H 0.23 0.33 -0.29 -0.55 8.29 8.02 2f83A1 TYR 416 HA 0.12 0.01 0.40 -0.75 4.56 4.34 2f83A1 TYR 416 HB2 0.12 0.01 0.11 -0.04 3.06 3.26 2f83A1 TYR 416 HB3 0.06 0.04 0.11 -0.04 2.98 3.15 2f83A1 TYR 416 HD2 0.06 0.01 -0.02 -0.04 7.15 7.16 2f83A1 TYR 416 HE2 0.02 -0.01 -0.02 -0.04 6.85 6.80 2f83A1 GLY 417 H -0.28 0.14 0.09 -0.55 8.43 7.84 2f83A1 GLY 417 HA2 -0.30 -0.04 0.32 -0.51 4.01 3.47 2f83A1 GLY 417 HA3 -0.22 0.15 0.58 -0.51 4.01 4.01 2f83A1 VAL 418 H 0.01 0.27 -0.65 -0.55 8.24 7.33 2f83A1 VAL 418 HA 0.01 -0.09 0.29 -0.75 4.13 3.58 2f83A1 VAL 418 HB 0.19 0.11 -0.01 -0.04 2.12 2.37 2f83A1 VAL 418 HG13 0.12 -0.03 -0.33 -0.04 0.97 0.68 2f83A1 VAL 418 HG23 0.05 0.02 -0.05 -0.04 0.95 0.93 2f83A1 GLU 419 H -0.00 0.00 0.21 -0.55 8.60 8.26 2f83A1 GLU 419 HA -0.00 0.17 0.66 -0.75 4.29 4.37 2f83A1 GLU 419 HB2 -0.00 -0.07 0.07 -0.04 2.09 2.05 2f83A1 GLU 419 HB3 -0.01 -0.02 0.10 -0.04 1.99 2.02 2f83A1 GLU 419 HG2 -0.03 0.27 0.05 -0.04 2.34 2.59 2f83A1 GLU 419 HG3 -0.02 -0.07 0.09 -0.04 2.34 2.29 2f83A1 SER 420 H 0.02 0.08 0.05 -0.55 8.46 8.07 2f83A1 SER 420 HA 0.01 0.30 0.79 -0.75 4.49 4.84 2f83A1 SER 420 HB2 0.00 0.13 -0.09 -0.04 3.95 3.95 2f83A1 SER 420 HB3 0.01 -0.03 -0.02 -0.04 3.93 3.85 2f83A1 PRO 421 HA 0.05 0.08 0.41 -0.51 4.44 4.47 2f83A1 PRO 421 HB2 -0.01 0.17 -0.22 -0.04 2.28 2.18 2f83A1 PRO 421 HB3 -0.01 -0.04 -0.13 -0.04 2.02 1.80 2f83A1 PRO 421 HG2 -0.00 0.09 -0.04 -0.04 2.03 2.03 2f83A1 PRO 421 HG3 -0.01 0.13 -0.03 -0.04 2.03 2.08 2f83A1 PRO 421 HD2 0.00 0.09 0.22 -0.04 3.68 3.95 2f83A1 PRO 421 HD3 0.00 0.16 0.11 -0.04 3.65 3.89 2f83A1 LYS 422 H 0.01 0.02 -0.51 -0.55 8.42 7.38 2f83A1 LYS 422 HA 0.01 0.20 0.42 -0.75 4.32 4.20 2f83A1 LYS 422 HB2 0.01 -0.04 -0.03 -0.04 1.87 1.76 2f83A1 LYS 422 HB3 0.01 0.02 0.12 -0.04 1.79 1.90 2f83A1 LYS 422 HG2 0.00 -0.03 0.02 -0.04 1.46 1.41 2f83A1 LYS 422 HG3 0.01 -0.01 0.02 -0.04 1.46 1.43 2f83A1 LYS 422 HD2 0.01 -0.02 0.00 -0.04 1.69 1.64 2f83A1 LYS 422 HD3 0.01 0.01 0.02 -0.04 1.68 1.68 2f83A1 LYS 422 HE2 0.00 0.08 -0.31 -0.04 2.99 2.73 2f83A1 LYS 422 HE3 -0.00 -0.06 -0.05 -0.04 2.99 2.84 2f83A1 ILE 423 H 0.01 0.31 -0.58 -0.55 8.25 7.44 2f83A1 ILE 423 HA -0.02 0.24 0.92 -0.75 4.18 4.57 2f83A1 ILE 423 HB -0.02 -0.21 0.19 -0.04 1.89 1.81 2f83A1 ILE 423 HG12 0.02 0.36 0.12 -0.04 1.49 1.94 2f83A1 ILE 423 HG13 0.01 0.06 -0.14 -0.04 1.21 1.11 2f83A1 ILE 423 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.80 2f83A1 ILE 423 HD13 -0.00 -0.04 0.04 -0.04 0.88 0.84 2f83A1 LEU 424 H -0.01 0.42 -0.16 -0.55 8.37 8.08 2f83A1 LEU 424 HA -0.03 0.38 0.99 -0.75 4.35 4.94 2f83A1 LEU 424 HB2 0.03 0.11 0.19 -0.04 1.64 1.93 2f83A1 LEU 424 HB3 0.03 -0.02 -0.04 -0.04 1.64 1.57 2f83A1 LEU 424 HG 0.07 -0.10 -0.07 -0.04 1.64 1.50 2f83A1 LEU 424 HD13 0.28 -0.01 -0.10 -0.04 0.93 1.05 2f83A1 LEU 424 HD23 0.02 0.03 -0.14 -0.04 0.89 0.76 2f83A1 ARG 425 H -0.09 0.63 0.26 -0.55 8.46 8.71 2f83A1 ARG 425 HA -0.58 0.11 0.68 -0.75 4.34 3.80 2f83A1 ARG 425 HB2 -0.17 -0.05 0.01 -0.04 1.90 1.64 2f83A1 ARG 425 HB3 -1.50 -0.00 -0.11 -0.04 1.80 0.14 2f83A1 ARG 425 HG2 -0.34 -0.04 -0.84 -0.04 1.67 0.42 2f83A1 ARG 425 HG3 -0.20 -0.01 -0.27 -0.04 1.67 1.14 2f83A1 ARG 425 HD2 -2.05 -0.01 -0.16 -0.04 3.22 0.96 2f83A1 ARG 425 HD3 -0.33 0.01 -0.22 -0.04 3.22 2.65 2f83A1 VAL 426 H -0.09 0.80 0.19 -0.55 8.24 8.59 2f83A1 VAL 426 HA 0.00 0.19 0.93 -0.75 4.13 4.50 2f83A1 VAL 426 HB 0.18 0.05 0.17 -0.04 2.12 2.47 2f83A1 VAL 426 HG13 0.15 -0.01 -0.37 -0.04 0.97 0.70 2f83A1 VAL 426 HG23 0.05 -0.02 -0.20 -0.04 0.95 0.74 2f83A1 TYR 427 H 0.11 0.60 0.24 -0.55 8.29 8.69 2f83A1 TYR 427 HA 0.06 0.12 0.87 -0.75 4.56 4.85 2f83A1 TYR 427 HB2 -0.25 0.01 0.13 -0.04 3.06 2.92 2f83A1 TYR 427 HB3 -0.09 0.02 -0.07 -0.04 2.98 2.81 2f83A1 TYR 427 HD2 -0.22 0.11 -0.12 -0.04 7.15 6.87 2f83A1 TYR 427 HE2 -0.00 0.06 -0.29 -0.04 6.85 6.57 2f83A1 SER 428 H 0.21 0.21 0.14 -0.55 8.46 8.47 2f83A1 SER 428 HA 0.20 0.19 0.97 -0.75 4.49 5.09 2f83A1 SER 428 HB2 0.22 0.09 -0.02 -0.04 3.95 4.20 2f83A1 SER 428 HB3 0.31 -0.00 -0.12 -0.04 3.93 4.07 2f83A1 GLY 429 H 0.14 0.41 0.20 -0.55 8.43 8.63 2f83A1 GLY 429 HA2 0.08 0.09 0.37 -0.51 4.01 4.04 2f83A1 GLY 429 HA3 0.10 0.02 0.36 -0.51 4.01 3.97 2f83A1 ILE 430 H 0.18 0.21 -0.17 -0.55 8.25 7.91 2f83A1 ILE 430 HA 0.09 0.15 0.87 -0.75 4.18 4.53 2f83A1 ILE 430 HB 0.11 0.00 -0.14 -0.04 1.89 1.82 2f83A1 ILE 430 HG12 0.12 0.12 -0.70 -0.04 1.49 0.98 2f83A1 ILE 430 HG13 0.01 -0.03 -0.24 -0.04 1.21 0.91 2f83A1 ILE 430 HG23 -0.01 -0.02 -0.41 -0.04 0.93 0.45 2f83A1 ILE 430 HD13 0.04 0.04 -0.10 -0.04 0.88 0.81 2f83A1 LEU 431 H 0.10 0.14 0.06 -0.55 8.37 8.12 2f83A1 LEU 431 HA 0.15 0.14 0.59 -0.75 4.35 4.47 2f83A1 LEU 431 HB2 0.06 -0.03 0.02 -0.04 1.64 1.65 2f83A1 LEU 431 HB3 0.07 -0.03 0.11 -0.04 1.64 1.75 2f83A1 LEU 431 HG 0.05 -0.01 -0.10 -0.04 1.64 1.53 2f83A1 LEU 431 HD13 0.02 0.05 -0.05 -0.04 0.93 0.91 2f83A1 LEU 431 HD23 0.02 0.03 -0.07 -0.04 0.89 0.82 2f83A1 ASN 432 H 0.10 0.08 0.07 -0.55 8.53 8.23 2f83A1 ASN 432 HA 0.23 0.56 1.12 -0.75 4.76 5.92 2f83A1 ASN 432 HB2 0.05 -0.03 0.07 -0.04 2.88 2.92 2f83A1 ASN 432 HB3 0.05 -0.08 -0.09 -0.04 2.79 2.62 2f83A1 ASN 432 HD21 0.04 0.03 -0.07 -0.04 7.03 6.98 2f83A1 ASN 432 HD22 0.03 0.00 -0.07 -0.04 7.74 7.66 2f83A1 GLN 433 H 0.06 0.78 0.31 -0.55 8.47 9.08 2f83A1 GLN 433 HA -0.30 0.05 0.33 -0.75 4.36 3.68 2f83A1 GLN 433 HB2 -0.14 -0.06 0.20 -0.04 2.15 2.10 2f83A1 GLN 433 HB3 -0.21 0.01 0.01 -0.04 2.02 1.78 2f83A1 GLN 433 HG2 -1.00 0.11 0.08 -0.04 2.40 1.55 2f83A1 GLN 433 HG3 -0.56 0.05 0.06 -0.04 2.39 1.90 2f83A1 GLN 433 HE21 -0.37 -0.03 -0.01 -0.04 6.97 6.52 2f83A1 GLN 433 HE22 -0.76 0.04 0.02 -0.04 7.69 6.95 2f83A1 SER 434 H -0.03 0.07 -0.23 -0.55 8.46 7.73 2f83A1 SER 434 HA -0.06 0.15 0.33 -0.75 4.49 4.16 2f83A1 SER 434 HB2 -0.02 0.03 0.08 -0.04 3.95 3.99 2f83A1 SER 434 HB3 -0.02 -0.03 0.06 -0.04 3.93 3.91 2f83A1 GLU 435 H -0.05 0.67 -0.71 -0.55 8.60 7.96 2f83A1 GLU 435 HA -0.02 -0.00 0.47 -0.75 4.29 3.98 2f83A1 GLU 435 HB2 -0.04 0.09 0.06 -0.04 2.09 2.16 2f83A1 GLU 435 HB3 -0.01 -0.05 0.03 -0.04 1.99 1.92 2f83A1 GLU 435 HG2 0.01 -0.01 0.04 -0.04 2.34 2.33 2f83A1 GLU 435 HG3 0.02 0.05 0.15 -0.04 2.34 2.52 2f83A1 ILE 436 H -0.14 0.51 -0.05 -0.55 8.25 8.02 2f83A1 ILE 436 HA -0.18 -0.06 0.40 -0.75 4.18 3.58 2f83A1 ILE 436 HB -0.22 0.07 0.15 -0.04 1.89 1.84 2f83A1 ILE 436 HG12 -0.53 -0.04 -0.04 -0.04 1.49 0.84 2f83A1 ILE 436 HG13 -0.27 0.00 0.12 -0.04 1.21 1.02 2f83A1 ILE 436 HG23 -0.69 -0.00 -0.17 -0.04 0.93 0.03 2f83A1 ILE 436 HD13 -0.61 -0.02 -0.03 -0.04 0.88 0.18 2f83A1 LYS 437 H -0.04 0.05 0.20 -0.55 8.42 8.07 2f83A1 LYS 437 HA -0.03 0.26 0.83 -0.75 4.32 4.62 2f83A1 LYS 437 HB2 0.00 -0.18 0.08 -0.04 1.87 1.73 2f83A1 LYS 437 HB3 -0.01 -0.11 0.18 -0.04 1.79 1.81 2f83A1 LYS 437 HG2 -0.03 0.13 -0.29 -0.04 1.46 1.24 2f83A1 LYS 437 HG3 -0.02 0.38 -0.06 -0.04 1.46 1.72 2f83A1 LYS 437 HD2 -0.01 -0.09 0.01 -0.04 1.69 1.57 2f83A1 LYS 437 HD3 -0.01 -0.06 0.01 -0.04 1.68 1.58 2f83A1 LYS 437 HE2 -0.01 0.04 0.04 -0.04 2.99 3.02 2f83A1 LYS 437 HE3 -0.01 -0.08 0.01 -0.04 2.99 2.87 2f83A1 GLU 438 H 0.01 0.12 0.16 -0.55 8.60 8.35 2f83A1 GLU 438 HA 0.06 0.18 0.47 -0.75 4.29 4.25 2f83A1 GLU 438 HB2 0.01 -0.00 0.13 -0.04 2.09 2.19 2f83A1 GLU 438 HB3 0.02 -0.03 0.06 -0.04 1.99 2.00 2f83A1 GLU 438 HG2 0.04 0.04 -0.01 -0.04 2.34 2.37 2f83A1 GLU 438 HG3 0.03 0.03 0.04 -0.04 2.34 2.40 2f83A1 ASP 439 H 0.02 -0.01 -0.03 -0.55 8.40 7.84 2f83A1 ASP 439 HA 0.01 0.16 0.48 -0.75 4.63 4.53 2f83A1 ASP 439 HB2 0.00 -0.05 0.06 -0.04 2.71 2.69 2f83A1 ASP 439 HB3 0.00 0.00 -0.02 -0.04 2.70 2.64 2f83A1 THR 440 H 0.05 -0.05 -0.58 -0.55 8.28 7.16 2f83A1 THR 440 HA 0.04 -0.03 0.31 -0.75 4.39 3.96 2f83A1 THR 440 HB 0.19 0.19 0.01 -0.04 4.32 4.67 2f83A1 THR 440 HG23 0.16 0.05 -0.16 -0.04 1.22 1.23 2f83A1 SER 441 H -0.02 0.04 0.19 -0.55 8.46 8.12 2f83A1 SER 441 HA -0.27 0.09 0.53 -0.75 4.49 4.08 2f83A1 SER 441 HB2 -0.15 0.00 0.13 -0.04 3.95 3.89 2f83A1 SER 441 HB3 -0.17 -0.04 0.10 -0.04 3.93 3.79 2f83A1 PHE 442 H -0.92 0.14 0.14 -0.55 8.34 7.15 2f83A1 PHE 442 HA -0.56 0.19 0.76 -0.75 4.62 4.26 2f83A1 PHE 442 HB2 -0.98 -0.10 -0.19 -0.04 3.15 1.84 2f83A1 PHE 442 HB3 -1.57 0.08 -0.35 -0.04 3.06 1.18 2f83A1 PHE 442 HD2 -0.17 0.04 -0.46 -0.04 7.28 6.66 2f83A1 PHE 442 HE2 -0.05 0.00 -0.12 -0.04 7.38 7.18 2f83A1 PHE 442 HZ -0.05 -0.00 -0.09 -0.04 7.32 7.14 2f83A1 PHE 443 H 0.06 0.49 0.17 -0.55 8.34 8.51 2f83A1 PHE 443 HA -0.00 0.13 0.99 -0.75 4.62 4.98 2f83A1 PHE 443 HB2 -0.01 0.07 0.15 -0.04 3.15 3.32 2f83A1 PHE 443 HB3 -0.02 0.00 -0.03 -0.04 3.06 2.96 2f83A1 PHE 443 HD2 -0.03 -0.01 -0.06 -0.04 7.28 7.14 2f83A1 PHE 443 HE2 -0.03 0.02 -0.13 -0.04 7.38 7.20 2f83A1 PHE 443 HZ -0.04 -0.05 -0.07 -0.04 7.32 7.12 2f83A1 GLY 444 H 0.19 0.13 0.14 -0.55 8.43 8.34 2f83A1 GLY 444 HA2 0.12 0.25 0.67 -0.51 4.01 4.54 2f83A1 GLY 444 HA3 0.16 0.06 0.31 -0.51 4.01 4.02 2f83A1 VAL 445 H 0.02 0.32 0.13 -0.55 8.24 8.15 2f83A1 VAL 445 HA -0.04 0.12 0.74 -0.75 4.13 4.20 2f83A1 VAL 445 HB 0.01 0.07 0.10 -0.04 2.12 2.25 2f83A1 VAL 445 HG13 -0.05 -0.02 -0.29 -0.04 0.97 0.57 2f83A1 VAL 445 HG23 0.03 -0.00 -0.14 -0.04 0.95 0.80 2f83A1 GLN 446 H -0.11 0.68 0.29 -0.55 8.47 8.79 2f83A1 GLN 446 HA -0.04 0.06 0.51 -0.75 4.36 4.14 2f83A1 GLN 446 HB2 -0.09 0.01 -0.24 -0.04 2.15 1.78 2f83A1 GLN 446 HB3 -0.16 0.06 -0.17 -0.04 2.02 1.71 2f83A1 GLN 446 HG2 -0.07 -0.04 -0.31 -0.04 2.40 1.94 2f83A1 GLN 446 HG3 -0.05 -0.04 -0.04 -0.04 2.39 2.21 2f83A1 GLN 446 HE21 -0.04 -0.01 -0.03 -0.04 6.97 6.85 2f83A1 GLN 446 HE22 -0.04 -0.04 -0.03 -0.04 7.69 7.54 2f83A1 GLU 447 H -0.13 0.37 0.20 -0.55 8.60 8.50 2f83A1 GLU 447 HA -0.04 0.16 0.79 -0.75 4.29 4.45 2f83A1 GLU 447 HB2 -0.05 0.03 -0.22 -0.04 2.09 1.80 2f83A1 GLU 447 HB3 -0.07 -0.08 -0.03 -0.04 1.99 1.77 2f83A1 GLU 447 HG2 -0.00 0.10 -0.08 -0.04 2.34 2.32 2f83A1 GLU 447 HG3 -0.01 0.02 0.05 -0.04 2.34 2.36 2f83A1 ILE 448 H -0.04 0.24 0.16 -0.55 8.25 8.06 2f83A1 ILE 448 HA -0.12 0.27 1.00 -0.75 4.18 4.57 2f83A1 ILE 448 HB -0.10 -0.01 0.07 -0.04 1.89 1.80 2f83A1 ILE 448 HG12 -0.28 0.06 -0.07 -0.04 1.49 1.16 2f83A1 ILE 448 HG13 -0.08 -0.07 -0.30 -0.04 1.21 0.72 2f83A1 ILE 448 HG23 -0.42 -0.00 -0.25 -0.04 0.93 0.22 2f83A1 ILE 448 HD13 -0.02 0.00 -0.18 -0.04 0.88 0.64 2f83A1 ILE 449 H -0.01 0.68 0.16 -0.55 8.25 8.53 2f83A1 ILE 449 HA 0.09 0.24 1.09 -0.75 4.18 4.84 2f83A1 ILE 449 HB 0.19 -0.11 0.14 -0.04 1.89 2.07 2f83A1 ILE 449 HG12 0.09 0.09 -0.30 -0.04 1.49 1.34 2f83A1 ILE 449 HG13 0.13 -0.08 -0.48 -0.04 1.21 0.73 2f83A1 ILE 449 HG23 0.18 0.02 -0.13 -0.04 0.93 0.96 2f83A1 ILE 449 HD13 0.26 0.01 -0.09 -0.04 0.88 1.02 2f83A1 ILE 450 H 0.09 0.23 0.05 -0.55 8.25 8.07 2f83A1 ILE 450 HA 0.08 0.12 0.86 -0.75 4.18 4.49 2f83A1 ILE 450 HB 0.08 0.03 0.02 -0.04 1.89 1.98 2f83A1 ILE 450 HG12 -0.12 -0.03 -0.11 -0.04 1.49 1.20 2f83A1 ILE 450 HG13 -0.13 -0.07 -0.21 -0.04 1.21 0.77 2f83A1 ILE 450 HG23 0.10 0.02 -0.14 -0.04 0.93 0.88 2f83A1 ILE 450 HD13 0.06 0.02 -0.11 -0.04 0.88 0.81 2f83A1 HIS 451 H 0.01 0.35 0.28 -0.55 8.41 8.51 2f83A1 HIS 451 HA 0.12 0.02 0.41 -0.75 4.63 4.43 2f83A1 HIS 451 HB2 -0.90 0.15 0.21 -0.04 3.26 2.69 2f83A1 HIS 451 HB3 -0.15 0.04 0.24 -0.04 3.20 3.28 2f83A1 HIS 451 HD2 0.59 0.03 -0.09 -0.04 6.97 7.46 2f83A1 HIS 451 HE1 0.00 0.03 0.01 -0.04 7.75 7.75 2f83A1 ASP 452 H -0.05 0.13 0.20 -0.55 8.40 8.14 2f83A1 ASP 452 HA -0.02 0.11 0.36 -0.75 4.63 4.33 2f83A1 ASP 452 HB2 -0.20 -0.06 0.07 -0.04 2.71 2.49 2f83A1 ASP 452 HB3 -0.06 0.02 0.05 -0.04 2.70 2.68 2f83A1 GLN 453 H -0.78 -0.03 -0.42 -0.55 8.47 6.70 2f83A1 GLN 453 HA -0.20 0.25 0.84 -0.75 4.36 4.50 2f83A1 GLN 453 HB2 -0.20 -0.04 -0.03 -0.04 2.15 1.85 2f83A1 GLN 453 HB3 -0.54 0.01 0.11 -0.04 2.02 1.56 2f83A1 GLN 453 HG2 -0.12 0.06 -0.10 -0.04 2.40 2.20 2f83A1 GLN 453 HG3 -0.18 -0.08 -0.09 -0.04 2.39 2.00 2f83A1 GLN 453 HE21 0.24 -0.00 -0.01 -0.04 6.97 7.15 2f83A1 GLN 453 HE22 0.21 -0.02 -0.02 -0.04 7.69 7.82 2f83A1 TYR 454 H 0.06 0.66 -0.16 -0.55 8.29 8.31 2f83A1 TYR 454 HA -0.00 0.08 0.47 -0.75 4.56 4.35 2f83A1 TYR 454 HB2 0.09 0.07 0.10 -0.04 3.06 3.28 2f83A1 TYR 454 HB3 0.03 0.12 0.02 -0.04 2.98 3.11 2f83A1 TYR 454 HD2 0.09 0.15 -0.34 -0.04 7.15 7.00 2f83A1 TYR 454 HE2 0.10 0.04 -0.45 -0.04 6.85 6.50 2f83A1 LYS 455 H -0.65 0.03 0.09 -0.55 8.42 7.33 2f83A1 LYS 455 HA -0.42 0.19 0.70 -0.75 4.32 4.03 2f83A1 LYS 455 HB2 -0.25 0.06 -0.04 -0.04 1.87 1.59 2f83A1 LYS 455 HB3 -0.24 -0.06 -0.09 -0.04 1.79 1.36 2f83A1 LYS 455 HG2 -0.14 -0.06 -0.04 -0.04 1.46 1.18 2f83A1 LYS 455 HG3 -0.16 -0.03 0.05 -0.04 1.46 1.28 2f83A1 LYS 455 HD2 -0.17 0.49 -0.32 -0.04 1.69 1.65 2f83A1 LYS 455 HD3 -0.19 0.04 -0.30 -0.04 1.68 1.19 2f83A1 LYS 455 HE2 -0.10 -0.08 -0.04 -0.04 2.99 2.73 2f83A1 LYS 455 HE3 -0.09 -0.04 -0.02 -0.04 2.99 2.81 2f83A1 MET 456 H -0.43 0.25 0.12 -0.55 8.47 7.86 2f83A1 MET 456 HA -0.26 0.15 0.57 -0.75 4.52 4.23 2f83A1 MET 456 HB2 -0.21 0.22 -0.24 -0.04 2.15 1.88 2f83A1 MET 456 HB3 -0.20 -0.11 -0.01 -0.04 2.03 1.67 2f83A1 MET 456 HG2 -0.22 -0.24 -0.08 -0.04 2.63 2.05 2f83A1 MET 456 HG3 -0.17 0.05 0.12 -0.04 2.56 2.52 2f83A1 MET 456 HE3 -0.17 -0.02 -0.03 -0.04 2.10 1.84 2f83A1 ALA 457 H 0.01 0.23 0.10 -0.55 8.40 8.20 2f83A1 ALA 457 HA 0.24 -0.00 0.29 -0.75 4.34 4.11 2f83A1 ALA 457 HB3 -0.14 0.04 0.07 -0.04 1.41 1.34 2f83A1 GLU 458 H -0.50 0.05 -0.23 -0.55 8.60 7.37 2f83A1 GLU 458 HA -1.60 0.13 0.50 -0.75 4.29 2.56 2f83A1 GLU 458 HB2 -0.51 -0.04 0.02 -0.04 2.09 1.52 2f83A1 GLU 458 HB3 -0.72 0.07 -0.05 -0.04 1.99 1.26 2f83A1 GLU 458 HG2 -0.80 0.04 -0.04 -0.04 2.34 1.50 2f83A1 GLU 458 HG3 -3.14 0.05 -0.04 -0.04 2.34 -0.84 2f83A1 SER 459 H -0.19 0.00 -0.12 -0.55 8.46 7.60 2f83A1 SER 459 HA -0.02 0.03 0.36 -0.75 4.49 4.11 2f83A1 SER 459 HB2 -0.10 -0.08 0.10 -0.04 3.95 3.83 2f83A1 SER 459 HB3 -0.07 0.03 0.13 -0.04 3.93 3.97 2f83A1 GLY 460 H 0.12 0.16 -0.96 -0.55 8.43 7.21 2f83A1 GLY 460 HA2 0.30 0.01 0.27 -0.51 4.01 4.09 2f83A1 GLY 460 HA3 0.33 0.11 0.59 -0.51 4.01 4.53 2f83A1 TYR 461 H 0.15 0.17 0.08 -0.55 8.29 8.15 2f83A1 TYR 461 HA 0.03 0.06 0.25 -0.75 4.56 4.14 2f83A1 TYR 461 HB2 0.27 0.26 0.04 -0.04 3.06 3.59 2f83A1 TYR 461 HB3 0.27 -0.10 0.05 -0.04 2.98 3.15 2f83A1 TYR 461 HD2 0.42 -0.09 -0.37 -0.04 7.15 7.06 2f83A1 TYR 461 HE2 0.15 0.01 -0.02 -0.04 6.85 6.94 2f83A1 ASP 462 H 0.19 0.08 -0.47 -0.55 8.40 7.66 2f83A1 ASP 462 HA -0.40 0.03 0.42 -0.75 4.63 3.93 2f83A1 ASP 462 HB2 0.32 0.10 -0.05 -0.04 2.71 3.05 2f83A1 ASP 462 HB3 0.19 0.05 0.14 -0.04 2.70 3.04 2f83A1 ILE 463 H -0.31 0.61 0.40 -0.55 8.25 8.39 2f83A1 ILE 463 HA -0.16 0.24 0.88 -0.75 4.18 4.39 2f83A1 ILE 463 HB -0.54 0.01 -0.20 -0.04 1.89 1.11 2f83A1 ILE 463 HG12 -0.04 0.02 -0.36 -0.04 1.49 1.06 2f83A1 ILE 463 HG13 -0.09 0.12 0.04 -0.04 1.21 1.23 2f83A1 ILE 463 HG23 -1.03 -0.00 -0.09 -0.04 0.93 -0.24 2f83A1 ILE 463 HD13 -0.23 -0.01 -0.12 -0.04 0.88 0.48 2f83A1 ALA 464 H 0.03 0.92 0.21 -0.55 8.40 9.01 2f83A1 ALA 464 HA 0.19 0.27 1.00 -0.75 4.34 5.05 2f83A1 ALA 464 HB3 -0.04 -0.03 -0.31 -0.04 1.41 0.99 2f83A1 LEU 465 H 0.24 0.63 0.34 -0.55 8.37 9.03 2f83A1 LEU 465 HA 0.25 0.29 1.00 -0.75 4.35 5.13 2f83A1 LEU 465 HB2 0.20 0.00 0.10 -0.04 1.64 1.90 2f83A1 LEU 465 HB3 0.56 0.00 -0.04 -0.04 1.64 2.13 2f83A1 LEU 465 HG 0.20 -0.05 -0.19 -0.04 1.64 1.56 2f83A1 LEU 465 HD13 -0.62 0.01 -0.08 -0.04 0.93 0.21 2f83A1 LEU 465 HD23 0.25 0.03 -0.06 -0.04 0.89 1.07 2f83A1 LEU 466 H 0.29 0.24 0.18 -0.55 8.37 8.54 2f83A1 LEU 466 HA -0.04 0.25 0.97 -0.75 4.35 4.78 2f83A1 LEU 466 HB2 0.04 -0.08 0.10 -0.04 1.64 1.67 2f83A1 LEU 466 HB3 -0.04 0.03 -0.10 -0.04 1.64 1.50 2f83A1 LEU 466 HG 0.13 0.00 -0.36 -0.04 1.64 1.37 2f83A1 LEU 466 HD13 0.15 -0.01 -0.20 -0.04 0.93 0.83 2f83A1 LEU 466 HD23 -0.06 0.06 -0.03 -0.04 0.89 0.82 2f83A1 LYS 467 H -0.27 0.36 0.17 -0.55 8.42 8.12 2f83A1 LYS 467 HA -1.62 0.27 0.74 -0.75 4.32 2.96 2f83A1 LYS 467 HB2 -0.53 -0.00 0.07 -0.04 1.87 1.37 2f83A1 LYS 467 HB3 -0.32 -0.18 0.14 -0.04 1.79 1.39 2f83A1 LYS 467 HG2 -0.45 0.12 -0.02 -0.04 1.46 1.07 2f83A1 LYS 467 HG3 -0.98 0.03 0.06 -0.04 1.46 0.53 2f83A1 LYS 467 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.62 2f83A1 LYS 467 HD3 -0.12 -0.05 -0.06 -0.04 1.68 1.41 2f83A1 LYS 467 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.89 2f83A1 LYS 467 HE3 -0.08 0.04 -0.03 -0.04 2.99 2.88 2f83A1 LEU 468 H -0.62 0.50 0.31 -0.55 8.37 8.00 2f83A1 LEU 468 HA -0.17 0.09 0.82 -0.75 4.35 4.34 2f83A1 LEU 468 HB2 -0.30 -0.01 0.12 -0.04 1.64 1.41 2f83A1 LEU 468 HB3 -0.17 -0.02 0.10 -0.04 1.64 1.51 2f83A1 LEU 468 HG -0.31 0.11 -0.41 -0.04 1.64 0.99 2f83A1 LEU 468 HD13 -0.39 0.01 -0.15 -0.04 0.93 0.36 2f83A1 LEU 468 HD23 -0.10 -0.03 -0.35 -0.04 0.89 0.37 2f83A1 GLU 469 H -0.03 0.66 0.30 -0.55 8.60 8.98 2f83A1 GLU 469 HA -0.05 0.02 0.39 -0.75 4.29 3.89 2f83A1 GLU 469 HB2 0.05 -0.12 0.20 -0.04 2.09 2.18 2f83A1 GLU 469 HB3 0.00 -0.02 -0.01 -0.04 1.99 1.92 2f83A1 GLU 469 HG2 0.01 0.16 -0.58 -0.04 2.34 1.88 2f83A1 GLU 469 HG3 0.05 -0.11 -0.09 -0.04 2.34 2.15 2f83A1 THR 470 H 0.02 0.17 0.02 -0.55 8.28 7.94 2f83A1 THR 470 HA -0.03 0.15 0.72 -0.75 4.39 4.47 2f83A1 THR 470 HB 0.05 0.04 0.12 -0.04 4.32 4.48 2f83A1 THR 470 HG23 -0.00 -0.01 -0.12 -0.04 1.22 1.04 2f83A1 THR 471 H -0.05 0.07 0.10 -0.55 8.28 7.86 2f83A1 THR 471 HA -0.20 0.34 0.67 -0.75 4.39 4.44 2f83A1 THR 471 HB -0.12 -0.04 -0.01 -0.04 4.32 4.10 2f83A1 THR 471 HG23 -0.07 -0.01 -0.10 -0.04 1.22 1.00 2f83A1 VAL 472 H -0.30 0.41 0.30 -0.55 8.24 8.11 2f83A1 VAL 472 HA -0.08 0.17 1.02 -0.75 4.13 4.49 2f83A1 VAL 472 HB -0.32 -0.01 0.05 -0.04 2.12 1.79 2f83A1 VAL 472 HG13 0.08 0.02 -0.23 -0.04 0.97 0.80 2f83A1 VAL 472 HG23 -1.05 0.06 -0.10 -0.04 0.95 -0.19 2f83A1 ASN 473 H -0.01 0.18 0.11 -0.55 8.53 8.26 2f83A1 ASN 473 HA -0.17 0.02 0.58 -0.75 4.76 4.44 2f83A1 ASN 473 HB2 0.01 -0.01 0.17 -0.04 2.88 3.00 2f83A1 ASN 473 HB3 -0.01 0.03 0.06 -0.04 2.79 2.84 2f83A1 ASN 473 HD21 -0.03 -0.01 -0.05 -0.04 7.03 6.90 2f83A1 ASN 473 HD22 -0.05 0.02 -0.03 -0.04 7.74 7.64 2f83A1 TYR 474 H -0.26 0.08 0.19 -0.55 8.29 7.75 2f83A1 TYR 474 HA 0.06 0.29 0.46 -0.75 4.56 4.62 2f83A1 TYR 474 HB2 0.04 -0.11 0.06 -0.04 3.06 3.01 2f83A1 TYR 474 HB3 0.06 0.04 0.07 -0.04 2.98 3.10 2f83A1 TYR 474 HD2 0.05 0.19 0.08 -0.04 7.15 7.44 2f83A1 TYR 474 HE2 0.05 -0.03 -0.12 -0.04 6.85 6.71 2f83A1 THR 475 H 0.20 0.36 0.19 -0.55 8.28 8.48 2f83A1 THR 475 HA 0.09 0.20 0.71 -0.75 4.39 4.63 2f83A1 THR 475 HB 0.06 -0.02 0.15 -0.04 4.32 4.47 2f83A1 THR 475 HG23 0.08 0.10 -0.21 -0.04 1.22 1.14 2f83A1 ASP 476 H 0.04 0.20 0.13 -0.55 8.40 8.22 2f83A1 ASP 476 HA 0.03 0.14 0.37 -0.75 4.63 4.41 2f83A1 ASP 476 HB2 0.01 -0.03 0.05 -0.04 2.71 2.70 2f83A1 ASP 476 HB3 0.00 0.07 0.10 -0.04 2.70 2.83 2f83A1 SER 477 H 0.05 -0.11 -0.65 -0.55 8.46 7.21 2f83A1 SER 477 HA 0.00 0.14 0.75 -0.75 4.49 4.62 2f83A1 SER 477 HB2 0.05 0.04 -0.02 -0.04 3.95 3.98 2f83A1 SER 477 HB3 0.04 0.02 0.08 -0.04 3.93 4.02 2f83A1 GLN 478 H 0.11 0.18 -0.18 -0.55 8.47 8.03 2f83A1 GLN 478 HA 0.12 0.40 0.86 -0.75 4.36 4.99 2f83A1 GLN 478 HB2 0.19 0.06 0.01 -0.04 2.15 2.38 2f83A1 GLN 478 HB3 0.14 0.02 -0.19 -0.04 2.02 1.95 2f83A1 GLN 478 HG2 0.13 -0.21 0.02 -0.04 2.40 2.30 2f83A1 GLN 478 HG3 0.18 0.01 0.07 -0.04 2.39 2.61 2f83A1 GLN 478 HE21 0.16 -0.04 -0.05 -0.04 6.97 6.99 2f83A1 GLN 478 HE22 0.11 0.35 0.00 -0.04 7.69 8.11 2f83A1 ARG 479 H 0.16 0.10 -0.08 -0.55 8.46 8.08 2f83A1 ARG 479 HA -0.02 0.11 0.80 -0.75 4.34 4.48 2f83A1 ARG 479 HB2 0.15 -0.03 -0.13 -0.04 1.90 1.84 2f83A1 ARG 479 HB3 -0.06 0.05 0.01 -0.04 1.80 1.76 2f83A1 ARG 479 HG2 0.08 0.04 -0.23 -0.04 1.67 1.52 2f83A1 ARG 479 HG3 0.06 0.04 -0.10 -0.04 1.67 1.63 2f83A1 ARG 479 HD2 0.10 -0.05 -0.22 -0.04 3.22 3.01 2f83A1 ARG 479 HD3 0.04 -0.08 -0.24 -0.04 3.22 2.90 2f83A1 PRO 480 HA 0.20 0.28 0.66 -0.51 4.44 5.07 2f83A1 PRO 480 HB2 0.05 0.17 -0.20 -0.04 2.28 2.26 2f83A1 PRO 480 HB3 0.16 -0.09 -0.29 -0.04 2.02 1.76 2f83A1 PRO 480 HG2 -0.16 0.08 -0.18 -0.04 2.03 1.73 2f83A1 PRO 480 HG3 -0.32 -0.02 -0.14 -0.04 2.03 1.51 2f83A1 PRO 480 HD2 -0.52 0.00 0.08 -0.04 3.68 3.21 2f83A1 PRO 480 HD3 -1.79 0.10 0.05 -0.04 3.65 1.97 2f83A1 ILE 481 H 0.06 0.50 0.33 -0.55 8.25 8.60 2f83A1 ILE 481 HA -0.22 0.14 0.78 -0.75 4.18 4.13 2f83A1 ILE 481 HB -1.35 -0.08 0.00 -0.04 1.89 0.43 2f83A1 ILE 481 HG12 -0.33 0.20 -0.14 -0.04 1.49 1.18 2f83A1 ILE 481 HG13 -0.71 -0.00 -0.06 -0.04 1.21 0.39 2f83A1 ILE 481 HG23 -0.22 0.03 -0.15 -0.04 0.93 0.56 2f83A1 ILE 481 HD13 -0.93 -0.05 -0.27 -0.04 0.88 -0.41 2f83A1 CYS 482 H -0.12 0.30 0.16 -0.55 8.50 8.29 2f83A1 CYS 482 HA -0.06 0.16 0.68 -0.75 4.58 4.61 2f83A1 CYS 482 HB2 -0.19 0.09 0.02 -0.04 2.97 2.84 2f83A1 CYS 482 HB3 -0.11 0.01 -0.01 -0.04 2.97 2.82 2f83A1 LEU 483 H -0.05 0.16 0.11 -0.55 8.37 8.04 2f83A1 LEU 483 HA -0.03 0.15 0.66 -0.75 4.35 4.37 2f83A1 LEU 483 HB2 -0.02 0.00 0.03 -0.04 1.64 1.61 2f83A1 LEU 483 HB3 -0.00 0.06 -0.05 -0.04 1.64 1.60 2f83A1 LEU 483 HG -0.01 0.01 -0.03 -0.04 1.64 1.57 2f83A1 LEU 483 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 2f83A1 LEU 483 HD23 0.02 -0.00 -0.09 -0.04 0.89 0.77 2f83A1 PRO 484 HA 0.03 0.04 0.38 -0.51 4.44 4.37 2f83A1 PRO 484 HB2 0.07 -0.08 0.04 -0.04 2.28 2.27 2f83A1 PRO 484 HB3 0.17 0.04 -0.02 -0.04 2.02 2.17 2f83A1 PRO 484 HG2 0.00 -0.03 0.03 -0.04 2.03 1.99 2f83A1 PRO 484 HG3 0.00 -0.03 -0.31 -0.04 2.03 1.66 2f83A1 PRO 484 HD2 0.02 0.01 0.07 -0.04 3.68 3.73 2f83A1 PRO 484 HD3 -0.01 0.28 0.17 -0.04 3.65 4.05 2f83A1 SER 485 H 0.00 0.13 0.18 -0.55 8.46 8.23 2f83A1 SER 485 HA 0.00 0.12 0.44 -0.75 4.49 4.30 2f83A1 SER 485 HB2 0.04 -0.07 0.07 -0.04 3.95 3.96 2f83A1 SER 485 HB3 0.02 -0.11 -0.01 -0.04 3.93 3.79 2f83A1 LYS 486 H 0.00 0.28 0.21 -0.55 8.42 8.36 2f83A1 LYS 486 HA 0.02 0.01 0.36 -0.75 4.32 3.96 2f83A1 LYS 486 HB2 0.00 0.38 0.11 -0.04 1.87 2.32 2f83A1 LYS 486 HB3 0.00 -0.11 0.06 -0.04 1.79 1.71 2f83A1 LYS 486 HG2 0.00 -0.08 0.07 -0.04 1.46 1.41 2f83A1 LYS 486 HG3 -0.00 0.05 0.16 -0.04 1.46 1.62 2f83A1 LYS 486 HD2 -0.01 -0.10 -0.02 -0.04 1.69 1.52 2f83A1 LYS 486 HD3 -0.01 0.17 -0.13 -0.04 1.68 1.67 2f83A1 LYS 486 HE2 -0.00 0.03 -0.22 -0.04 2.99 2.75 2f83A1 LYS 486 HE3 -0.00 -0.12 -0.06 -0.04 2.99 2.77 2f83A1 GLY 487 H 0.01 0.17 -0.47 -0.55 8.43 7.60 2f83A1 GLY 487 HA2 0.00 0.10 0.10 -0.51 4.01 3.70 2f83A1 GLY 487 HA3 0.01 0.13 0.10 -0.51 4.01 3.74 2f83A1 ASP 488 H 0.03 0.57 -0.87 -0.55 8.40 7.58 2f83A1 ASP 488 HA -0.01 0.14 0.92 -0.75 4.63 4.93 2f83A1 ASP 488 HB2 0.11 0.23 0.01 -0.04 2.71 3.01 2f83A1 ASP 488 HB3 0.01 -0.10 0.15 -0.04 2.70 2.72 2f83A1 ARG 489 H 0.01 0.29 -0.11 -0.55 8.46 8.10 2f83A1 ARG 489 HA 0.04 0.11 0.47 -0.75 4.34 4.21 2f83A1 ARG 489 HB2 0.00 -0.03 0.08 -0.04 1.90 1.91 2f83A1 ARG 489 HB3 0.02 -0.03 0.07 -0.04 1.80 1.81 2f83A1 ARG 489 HG2 0.03 -0.04 0.04 -0.04 1.67 1.65 2f83A1 ARG 489 HG3 0.01 0.45 0.18 -0.04 1.67 2.27 2f83A1 ARG 489 HD2 0.01 -0.02 0.04 -0.04 3.22 3.21 2f83A1 ARG 489 HD3 0.02 -0.07 0.03 -0.04 3.22 3.16 2f83A1 ASN 490 H -0.03 0.08 -0.15 -0.55 8.53 7.89 2f83A1 ASN 490 HA -0.04 0.13 0.58 -0.75 4.76 4.69 2f83A1 ASN 490 HB2 -0.04 0.01 0.01 -0.04 2.88 2.82 2f83A1 ASN 490 HB3 -0.04 -0.02 0.07 -0.04 2.79 2.76 2f83A1 ASN 490 HD21 -0.02 -0.01 -0.01 -0.04 7.03 6.95 2f83A1 ASN 490 HD22 -0.03 0.01 -0.01 -0.04 7.74 7.67 2f83A1 VAL 491 H -0.10 0.11 -0.72 -0.55 8.24 6.98 2f83A1 VAL 491 HA -0.20 -0.04 0.31 -0.75 4.13 3.44 2f83A1 VAL 491 HB -0.43 0.32 0.04 -0.04 2.12 2.01 2f83A1 VAL 491 HG13 -1.02 -0.04 -0.22 -0.04 0.97 -0.35 2f83A1 VAL 491 HG23 -0.12 -0.05 0.03 -0.04 0.95 0.76 2f83A1 ILE 492 H -0.32 0.13 0.07 -0.55 8.25 7.58 2f83A1 ILE 492 HA -0.15 0.17 0.81 -0.75 4.18 4.26 2f83A1 ILE 492 HB -0.11 -0.07 0.17 -0.04 1.89 1.84 2f83A1 ILE 492 HG12 -0.07 0.04 -0.07 -0.04 1.49 1.35 2f83A1 ILE 492 HG13 -0.11 0.10 -0.17 -0.04 1.21 1.00 2f83A1 ILE 492 HG23 -0.05 0.00 -0.08 -0.04 0.93 0.76 2f83A1 ILE 492 HD13 -0.05 -0.03 0.01 -0.04 0.88 0.77 2f83A1 TYR 493 H -0.06 0.20 0.00 -0.55 8.29 7.89 2f83A1 TYR 493 HA -0.24 0.07 0.57 -0.75 4.56 4.20 2f83A1 TYR 493 HB2 -0.08 0.00 0.05 -0.04 3.06 2.99 2f83A1 TYR 493 HB3 -0.09 -0.03 -0.04 -0.04 2.98 2.77 2f83A1 TYR 493 HD2 -0.21 0.01 -0.08 -0.04 7.15 6.83 2f83A1 TYR 493 HE2 -0.17 0.06 -0.07 -0.04 6.85 6.63 2f83A1 THR 494 H 0.05 0.09 0.22 -0.55 8.28 8.09 2f83A1 THR 494 HA 0.02 0.23 0.98 -0.75 4.39 4.87 2f83A1 THR 494 HB 0.00 -0.01 0.14 -0.04 4.32 4.41 2f83A1 THR 494 HG23 -0.02 0.05 -0.23 -0.04 1.22 0.98 2f83A1 ASP 495 H 0.09 0.07 0.09 -0.55 8.40 8.10 2f83A1 ASP 495 HA 0.08 0.26 0.99 -0.75 4.63 5.21 2f83A1 ASP 495 HB2 0.10 -0.01 -0.01 -0.04 2.71 2.75 2f83A1 ASP 495 HB3 0.08 0.08 0.29 -0.04 2.70 3.11 2f83A1 CYS 496 H 0.03 0.26 -0.03 -0.55 8.50 8.21 2f83A1 CYS 496 HA 0.52 0.28 1.26 -0.75 4.58 5.88 2f83A1 CYS 496 HB2 0.01 0.20 0.00 -0.04 2.97 3.15 2f83A1 CYS 496 HB3 0.10 0.07 -0.04 -0.04 2.97 3.06 2f83A1 TRP 497 H 0.52 0.73 0.40 -0.55 7.97 9.07 2f83A1 TRP 497 HA 0.08 0.10 0.89 -0.75 4.62 4.94 2f83A1 TRP 497 HB2 0.15 -0.04 -0.08 -0.04 3.23 3.23 2f83A1 TRP 497 HB3 -0.00 -0.10 -0.16 -0.04 3.23 2.92 2f83A1 TRP 497 HD1 0.64 0.02 -0.56 -0.04 7.22 7.28 2f83A1 TRP 497 HE1 0.38 -0.03 -0.18 -0.04 10.20 10.34 2f83A1 TRP 497 HE3 0.22 -0.11 -0.22 -0.04 7.59 7.45 2f83A1 TRP 497 HZ2 0.20 -0.01 -0.04 -0.04 7.44 7.55 2f83A1 TRP 497 HZ3 0.19 -0.03 -0.07 -0.04 7.13 7.18 2f83A1 TRP 497 HH2 0.15 -0.02 -0.03 -0.04 7.19 7.25 2f83A1 VAL 498 H 0.09 0.91 0.33 -0.55 8.24 9.03 2f83A1 VAL 498 HA 0.04 0.25 1.09 -0.75 4.13 4.75 2f83A1 VAL 498 HB 0.06 0.02 -0.01 -0.04 2.12 2.15 2f83A1 VAL 498 HG13 0.10 -0.02 -0.16 -0.04 0.97 0.86 2f83A1 VAL 498 HG23 0.01 0.04 0.04 -0.04 0.95 0.99 2f83A1 THR 499 H -0.17 0.35 0.21 -0.55 8.28 8.13 2f83A1 THR 499 HA -0.45 0.35 0.99 -0.75 4.39 4.53 2f83A1 THR 499 HB -0.72 0.00 -0.06 -0.04 4.32 3.50 2f83A1 THR 499 HG23 -1.85 -0.03 -0.14 -0.04 1.22 -0.84 2f83A1 GLY 500 H -0.48 0.35 0.22 -0.55 8.43 7.97 2f83A1 GLY 500 HA2 -0.25 0.07 0.39 -0.51 4.01 3.71 2f83A1 GLY 500 HA3 -0.09 0.04 0.46 -0.51 4.01 3.90 2f83A1 TRP 501 H 0.23 0.33 0.15 -0.55 7.97 8.14 2f83A1 TRP 501 HA -0.09 0.17 0.75 -0.75 4.62 4.70 2f83A1 TRP 501 HB2 -0.39 0.02 0.05 -0.04 3.23 2.87 2f83A1 TRP 501 HB3 -0.23 0.00 0.06 -0.04 3.23 3.03 2f83A1 TRP 501 HD1 -0.11 0.36 -0.21 -0.04 7.22 7.22 2f83A1 TRP 501 HE1 -0.08 0.07 -0.21 -0.04 10.20 9.93 2f83A1 TRP 501 HE3 -0.12 0.07 -0.03 -0.04 7.59 7.46 2f83A1 TRP 501 HZ2 -0.06 0.16 -0.18 -0.04 7.44 7.31 2f83A1 TRP 501 HZ3 0.01 0.05 -0.20 -0.04 7.13 6.95 2f83A1 TRP 501 HH2 -0.04 0.02 -0.13 -0.04 7.19 7.00 2f83A1 GLY 502 H 0.14 -0.10 -0.32 -0.55 8.43 7.60 2f83A1 GLY 502 HA2 0.14 0.42 0.28 -0.51 4.01 4.35 2f83A1 GLY 502 HA3 0.09 -0.12 -0.32 -0.51 4.01 3.15 2f83A1 LYS 509 HA 0.02 -0.05 0.24 -0.75 4.32 3.78 2f83A1 LYS 509 HB2 0.01 -0.03 -0.06 -0.04 1.87 1.75 2f83A1 LYS 509 HB3 0.01 -0.03 0.06 -0.04 1.79 1.79 2f83A1 LYS 509 HG2 0.02 0.06 0.08 -0.04 1.46 1.58 2f83A1 LYS 509 HG3 0.03 -0.25 -0.04 -0.04 1.46 1.16 2f83A1 LYS 509 HD2 0.01 -0.02 -0.08 -0.04 1.69 1.57 2f83A1 LYS 509 HD3 0.01 0.01 -0.01 -0.04 1.68 1.65 2f83A1 LYS 509 HE2 0.02 0.06 -0.01 -0.04 2.99 3.02 2f83A1 LYS 509 HE3 0.03 -0.03 -0.13 -0.04 2.99 2.83 2f83A1 ILE 510 H 0.04 0.17 -0.19 -0.55 8.25 7.71 2f83A1 ILE 510 HA 0.07 0.16 0.10 -0.75 4.18 3.76 2f83A1 ILE 510 HB 0.03 0.26 0.13 -0.04 1.89 2.26 2f83A1 ILE 510 HG12 0.10 0.11 0.14 -0.04 1.49 1.80 2f83A1 ILE 510 HG13 0.06 0.08 0.02 -0.04 1.21 1.33 2f83A1 ILE 510 HG23 0.01 -0.12 -0.27 -0.04 0.93 0.51 2f83A1 ILE 510 HD13 -0.22 -0.05 0.01 -0.04 0.88 0.59 2f83A1 GLN 511 H 0.08 0.12 -0.02 -0.55 8.47 8.11 2f83A1 GLN 511 HA 0.08 -0.06 0.44 -0.75 4.36 4.06 2f83A1 GLN 511 HB2 0.16 0.06 -0.13 -0.04 2.15 2.20 2f83A1 GLN 511 HB3 0.11 0.08 0.04 -0.04 2.02 2.21 2f83A1 GLN 511 HG2 0.05 0.60 0.42 -0.04 2.40 3.43 2f83A1 GLN 511 HG3 0.01 -0.07 0.09 -0.04 2.39 2.38 2f83A1 GLN 511 HE21 0.03 -0.12 0.07 -0.04 6.97 6.91 2f83A1 GLN 511 HE22 0.03 0.25 0.15 -0.04 7.69 8.08 2f83A1 ASN 512 H 0.08 0.14 0.17 -0.55 8.53 8.37 2f83A1 ASN 512 HA 0.07 0.05 0.58 -0.75 4.76 4.70 2f83A1 ASN 512 HB2 0.04 0.05 0.14 -0.04 2.88 3.05 2f83A1 ASN 512 HB3 0.06 0.03 0.14 -0.04 2.79 2.98 2f83A1 ASN 512 HD21 0.03 -0.01 -0.09 -0.04 7.03 6.93 2f83A1 ASN 512 HD22 0.04 0.06 -0.07 -0.04 7.74 7.73 2f83A1 THR 513 H 0.11 0.06 0.01 -0.55 8.28 7.90 2f83A1 THR 513 HA 0.20 0.25 0.92 -0.75 4.39 5.01 2f83A1 THR 513 HB 0.02 0.01 0.03 -0.04 4.32 4.34 2f83A1 THR 513 HG23 0.01 0.02 -0.03 -0.04 1.22 1.18 2f83A1 LEU 514 H -0.03 0.48 0.28 -0.55 8.37 8.56 2f83A1 LEU 514 HA -1.55 0.11 0.38 -0.75 4.35 2.54 2f83A1 LEU 514 HB2 -0.77 0.14 0.15 -0.04 1.64 1.12 2f83A1 LEU 514 HB3 -0.33 -0.10 0.14 -0.04 1.64 1.31 2f83A1 LEU 514 HG -0.67 -0.11 -0.31 -0.04 1.64 0.52 2f83A1 LEU 514 HD13 -1.51 0.08 -0.04 -0.04 0.93 -0.58 2f83A1 LEU 514 HD23 -0.53 -0.00 -0.07 -0.04 0.89 0.25 2f83A1 GLN 515 H -0.62 1.03 0.45 -0.55 8.47 8.79 2f83A1 GLN 515 HA -0.17 -0.03 0.86 -0.75 4.36 4.27 2f83A1 GLN 515 HB2 -0.16 0.09 0.14 -0.04 2.15 2.18 2f83A1 GLN 515 HB3 -0.18 -0.05 0.14 -0.04 2.02 1.88 2f83A1 GLN 515 HG2 -0.05 0.02 -0.05 -0.04 2.40 2.28 2f83A1 GLN 515 HG3 -0.07 0.07 -0.15 -0.04 2.39 2.20 2f83A1 GLN 515 HE21 -0.03 -0.09 -0.03 -0.04 6.97 6.78 2f83A1 GLN 515 HE22 -0.09 0.13 -0.04 -0.04 7.69 7.64 2f83A1 LYS 516 H -0.09 -0.03 0.27 -0.55 8.42 8.01 2f83A1 LYS 516 HA -0.35 0.17 0.68 -0.75 4.32 4.06 2f83A1 LYS 516 HB2 0.06 0.02 0.03 -0.04 1.87 1.94 2f83A1 LYS 516 HB3 0.04 -0.04 0.09 -0.04 1.79 1.84 2f83A1 LYS 516 HG2 0.17 -0.15 0.06 -0.04 1.46 1.50 2f83A1 LYS 516 HG3 0.41 0.05 -0.32 -0.04 1.46 1.56 2f83A1 LYS 516 HD2 0.57 0.05 -0.07 -0.04 1.69 2.20 2f83A1 LYS 516 HD3 0.26 0.01 -0.08 -0.04 1.68 1.83 2f83A1 LYS 516 HE2 0.27 -0.62 -0.03 -0.04 2.99 2.56 2f83A1 LYS 516 HE3 0.53 0.03 -0.08 -0.04 2.99 3.43 2f83A1 ALA 517 H 0.15 0.11 0.05 -0.55 8.40 8.16 2f83A1 ALA 517 HA 0.16 -0.04 0.48 -0.75 4.34 4.18 2f83A1 ALA 517 HB3 0.00 0.11 -0.06 -0.04 1.41 1.42 2f83A1 LYS 518 H -0.27 0.10 0.13 -0.55 8.42 7.82 2f83A1 LYS 518 HA -0.88 0.18 0.79 -0.75 4.32 3.66 2f83A1 LYS 518 HB2 -2.74 -0.10 0.12 -0.04 1.87 -0.89 2f83A1 LYS 518 HB3 -0.73 -0.03 0.15 -0.04 1.79 1.13 2f83A1 LYS 518 HG2 -1.26 0.32 0.12 -0.04 1.46 0.60 2f83A1 LYS 518 HG3 -0.93 -0.10 0.02 -0.04 1.46 0.41 2f83A1 LYS 518 HD2 -0.33 -0.08 -0.11 -0.04 1.69 1.13 2f83A1 LYS 518 HD3 -0.37 0.07 -0.57 -0.04 1.68 0.77 2f83A1 LYS 518 HE2 -0.15 -0.04 -0.08 -0.04 2.99 2.67 2f83A1 LYS 518 HE3 -0.21 0.02 -0.03 -0.04 2.99 2.73 2f83A1 ILE 519 H -0.24 0.40 0.11 -0.55 8.25 7.97 2f83A1 ILE 519 HA -0.13 0.19 0.84 -0.75 4.18 4.33 2f83A1 ILE 519 HB -0.06 -0.08 -0.14 -0.04 1.89 1.58 2f83A1 ILE 519 HG12 -0.06 0.05 -0.01 -0.04 1.49 1.43 2f83A1 ILE 519 HG13 -0.06 -0.01 -0.57 -0.04 1.21 0.52 2f83A1 ILE 519 HG23 -0.07 -0.01 -0.22 -0.04 0.93 0.59 2f83A1 ILE 519 HD13 0.01 -0.01 -0.10 -0.04 0.88 0.74 2f83A1 PRO 520 HA -0.06 0.05 0.65 -0.51 4.44 4.57 2f83A1 PRO 520 HB2 -0.04 0.13 0.03 -0.04 2.28 2.36 2f83A1 PRO 520 HB3 -0.06 -0.01 0.07 -0.04 2.02 1.98 2f83A1 PRO 520 HG2 -0.04 0.04 0.03 -0.04 2.03 2.01 2f83A1 PRO 520 HG3 -0.04 0.02 0.04 -0.04 2.03 2.01 2f83A1 PRO 520 HD2 -0.07 0.11 0.21 -0.04 3.68 3.90 2f83A1 PRO 520 HD3 -0.09 0.13 0.11 -0.04 3.65 3.77 2f83A1 LEU 521 H -0.04 0.09 0.15 -0.55 8.37 8.03 2f83A1 LEU 521 HA -0.09 0.13 0.57 -0.75 4.35 4.21 2f83A1 LEU 521 HB2 -0.01 0.01 0.10 -0.04 1.64 1.69 2f83A1 LEU 521 HB3 -0.02 -0.03 -0.05 -0.04 1.64 1.50 2f83A1 LEU 521 HG -0.08 0.05 -0.09 -0.04 1.64 1.49 2f83A1 LEU 521 HD13 -0.06 0.00 -0.19 -0.04 0.93 0.63 2f83A1 LEU 521 HD23 0.06 0.03 -0.02 -0.04 0.89 0.91 2f83A1 VAL 522 H -0.04 0.61 0.12 -0.55 8.24 8.37 2f83A1 VAL 522 HA -0.01 0.07 0.72 -0.75 4.13 4.15 2f83A1 VAL 522 HB -0.00 -0.03 -0.05 -0.04 2.12 2.00 2f83A1 VAL 522 HG13 -0.02 0.03 -0.37 -0.04 0.97 0.57 2f83A1 VAL 522 HG23 0.00 0.04 -0.32 -0.04 0.95 0.63 2f83A1 THR 523 H -0.00 0.14 0.05 -0.55 8.28 7.92 2f83A1 THR 523 HA 0.00 0.10 0.42 -0.75 4.39 4.16 2f83A1 THR 523 HB 0.01 -0.07 0.13 -0.04 4.32 4.34 2f83A1 THR 523 HG23 -0.00 0.05 0.09 -0.04 1.22 1.32 2f83A1 ASN 524 H 0.01 0.21 0.26 -0.55 8.53 8.46 2f83A1 ASN 524 HA 0.01 0.14 0.57 -0.75 4.76 4.74 2f83A1 ASN 524 HB2 0.02 0.02 0.12 -0.04 2.88 3.01 2f83A1 ASN 524 HB3 0.01 0.07 0.18 -0.04 2.79 3.01 2f83A1 ASN 524 HD21 0.05 -0.04 0.06 -0.04 7.03 7.05 2f83A1 ASN 524 HD22 0.04 0.23 0.13 -0.04 7.74 8.09 2f83A1 GLU 525 H 0.02 0.06 -0.28 -0.55 8.60 7.85 2f83A1 GLU 525 HA 0.03 0.11 0.42 -0.75 4.29 4.09 2f83A1 GLU 525 HB2 0.01 0.01 0.09 -0.04 2.09 2.17 2f83A1 GLU 525 HB3 0.01 -0.03 0.03 -0.04 1.99 1.96 2f83A1 GLU 525 HG2 0.02 0.03 -0.17 -0.04 2.34 2.19 2f83A1 GLU 525 HG3 0.02 0.01 0.04 -0.04 2.34 2.37 2f83A1 GLU 526 H 0.02 0.13 -0.34 -0.55 8.60 7.87 2f83A1 GLU 526 HA 0.02 0.06 0.37 -0.75 4.29 3.99 2f83A1 GLU 526 HB2 0.01 -0.10 0.03 -0.04 2.09 1.99 2f83A1 GLU 526 HB3 0.01 0.21 -0.07 -0.04 1.99 2.10 2f83A1 GLU 526 HG2 0.01 0.01 -0.06 -0.04 2.34 2.25 2f83A1 GLU 526 HG3 0.02 0.06 -0.12 -0.04 2.34 2.25 2f83A1 CYS 527 H 0.04 0.10 -0.48 -0.55 8.50 7.61 2f83A1 CYS 527 HA 0.10 0.09 0.32 -0.75 4.58 4.34 2f83A1 CYS 527 HB2 0.02 0.07 0.12 -0.04 2.97 3.14 2f83A1 CYS 527 HB3 0.05 0.16 0.25 -0.04 2.97 3.38 2f83A1 GLN 528 H 0.08 0.58 0.02 -0.55 8.47 8.60 2f83A1 GLN 528 HA 0.16 0.10 0.38 -0.75 4.36 4.25 2f83A1 GLN 528 HB2 0.08 0.07 0.21 -0.04 2.15 2.46 2f83A1 GLN 528 HB3 0.07 0.07 0.05 -0.04 2.02 2.17 2f83A1 GLN 528 HG2 0.07 -0.04 0.03 -0.04 2.40 2.43 2f83A1 GLN 528 HG3 0.10 0.01 -0.02 -0.04 2.39 2.45 2f83A1 GLN 528 HE21 0.11 -0.27 0.16 -0.04 6.97 6.93 2f83A1 GLN 528 HE22 0.09 0.03 0.05 -0.04 7.69 7.81 2f83A1 LYS 529 H 0.06 0.23 -0.63 -0.55 8.42 7.53 2f83A1 LYS 529 HA 0.05 -0.04 0.28 -0.75 4.32 3.85 2f83A1 LYS 529 HB2 0.03 0.29 0.02 -0.04 1.87 2.18 2f83A1 LYS 529 HB3 0.02 -0.04 0.10 -0.04 1.79 1.82 2f83A1 LYS 529 HG2 0.03 -0.06 0.03 -0.04 1.46 1.41 2f83A1 LYS 529 HG3 0.03 0.09 0.04 -0.04 1.46 1.58 2f83A1 LYS 529 HD2 0.02 -0.00 0.01 -0.04 1.69 1.68 2f83A1 LYS 529 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2f83A1 LYS 529 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.92 2f83A1 LYS 529 HE3 0.01 -0.02 -0.00 -0.04 2.99 2.94 2f83A1 ARG 530 H 0.10 0.71 -0.65 -0.55 8.46 8.07 2f83A1 ARG 530 HA -0.10 0.14 0.98 -0.75 4.34 4.60 2f83A1 ARG 530 HB2 0.02 0.11 0.08 -0.04 1.90 2.07 2f83A1 ARG 530 HB3 -0.44 -0.05 0.06 -0.04 1.80 1.32 2f83A1 ARG 530 HG2 -0.04 -0.18 -0.21 -0.04 1.67 1.20 2f83A1 ARG 530 HG3 -0.10 0.26 0.15 -0.04 1.67 1.94 2f83A1 ARG 530 HD2 -0.01 0.01 -1.04 -0.04 3.22 2.14 2f83A1 ARG 530 HD3 0.01 0.23 -0.13 -0.04 3.22 3.29 2f83A1 TYR 531 H 0.19 0.45 -0.06 -0.55 8.29 8.33 2f83A1 TYR 531 HA 0.21 0.05 0.69 -0.75 4.56 4.75 2f83A1 TYR 531 HB2 0.01 0.02 0.13 -0.04 3.06 3.18 2f83A1 TYR 531 HB3 -0.57 -0.06 0.04 -0.04 2.98 2.34 2f83A1 TYR 531 HD2 -0.07 0.03 -0.12 -0.04 7.15 6.95 2f83A1 TYR 531 HE2 -0.01 -0.08 -0.05 -0.04 6.85 6.66 2f83A1 ARG 532 H 0.22 0.13 0.01 -0.55 8.46 8.27 2f83A1 ARG 532 HA 0.17 0.22 0.63 -0.75 4.34 4.61 2f83A1 ARG 532 HB2 0.07 -0.04 0.03 -0.04 1.90 1.92 2f83A1 ARG 532 HB3 0.07 -0.01 0.02 -0.04 1.80 1.83 2f83A1 ARG 532 HG2 0.08 0.00 -0.08 -0.04 1.67 1.62 2f83A1 ARG 532 HG3 0.04 -0.01 -0.03 -0.04 1.67 1.63 2f83A1 ARG 532 HD2 0.09 0.23 -0.18 -0.04 3.22 3.32 2f83A1 ARG 532 HD3 0.05 0.11 -0.13 -0.04 3.22 3.21 2f83A1 GLY 533 H 0.02 0.10 -0.03 -0.55 8.43 7.97 2f83A1 GLY 533 HA2 -0.03 0.14 0.51 -0.51 4.01 4.12 2f83A1 GLY 533 HA3 -0.21 0.00 0.33 -0.51 4.01 3.63 2f83A1 HIS 534 H 0.39 0.26 -0.97 -0.55 8.41 7.54 2f83A1 HIS 534 HA 0.04 0.06 0.55 -0.75 4.63 4.53 2f83A1 HIS 534 HB2 0.11 0.05 -0.05 -0.04 3.26 3.33 2f83A1 HIS 534 HB3 -0.02 0.03 -0.03 -0.04 3.20 3.13 2f83A1 HIS 534 HD2 0.22 0.11 -0.66 -0.04 6.97 6.60 2f83A1 HIS 534 HE1 0.20 0.03 -0.06 -0.04 7.75 7.88 2f83A1 LYS 535 H 0.13 0.09 0.01 -0.55 8.42 8.10 2f83A1 LYS 535 HA 0.14 0.04 0.37 -0.75 4.32 4.12 2f83A1 LYS 535 HB2 0.08 0.02 0.09 -0.04 1.87 2.02 2f83A1 LYS 535 HB3 0.10 -0.01 0.08 -0.04 1.79 1.91 2f83A1 LYS 535 HG2 0.10 -0.03 -0.55 -0.04 1.46 0.95 2f83A1 LYS 535 HG3 0.08 0.02 -0.05 -0.04 1.46 1.47 2f83A1 LYS 535 HD2 0.06 0.01 -0.02 -0.04 1.69 1.69 2f83A1 LYS 535 HD3 0.08 -0.01 -0.06 -0.04 1.68 1.65 2f83A1 LYS 535 HE2 0.09 -0.07 -0.13 -0.04 2.99 2.84 2f83A1 LYS 535 HE3 0.05 0.03 -0.05 -0.04 2.99 2.98 2f83A1 ILE 536 H 0.12 0.14 0.21 -0.55 8.25 8.17 2f83A1 ILE 536 HA 0.15 0.13 0.79 -0.75 4.18 4.50 2f83A1 ILE 536 HB 0.07 -0.04 0.24 -0.04 1.89 2.12 2f83A1 ILE 536 HG12 0.12 0.12 0.09 -0.04 1.49 1.79 2f83A1 ILE 536 HG13 -0.00 -0.07 -0.04 -0.04 1.21 1.06 2f83A1 ILE 536 HG23 0.00 0.01 -0.06 -0.04 0.93 0.84 2f83A1 ILE 536 HD13 0.05 0.01 -0.08 -0.04 0.88 0.82 2f83A1 THR 537 H 0.13 0.19 0.13 -0.55 8.28 8.18 2f83A1 THR 537 HA 0.13 0.17 0.60 -0.75 4.39 4.55 2f83A1 THR 537 HB 0.23 -0.10 0.18 -0.04 4.32 4.59 2f83A1 THR 537 HG23 0.14 0.06 -0.02 -0.04 1.22 1.36 2f83A1 HIS 538 H 0.46 0.17 0.22 -0.55 8.41 8.71 2f83A1 HIS 538 HA -0.01 0.16 0.53 -0.75 4.63 4.55 2f83A1 HIS 538 HB2 -0.03 0.06 0.16 -0.04 3.26 3.41 2f83A1 HIS 538 HB3 -0.02 0.01 0.19 -0.04 3.20 3.34 2f83A1 HIS 538 HD2 -0.06 0.04 0.01 -0.04 6.97 6.92 2f83A1 HIS 538 HE1 -0.04 0.02 0.04 -0.04 7.75 7.72 2f83A1 LYS 539 H -0.16 -0.04 -0.42 -0.55 8.42 7.24 2f83A1 LYS 539 HA -0.35 0.16 0.52 -0.75 4.32 3.89 2f83A1 LYS 539 HB2 -0.16 -0.02 0.01 -0.04 1.87 1.66 2f83A1 LYS 539 HB3 -0.28 -0.01 0.12 -0.04 1.79 1.58 2f83A1 LYS 539 HG2 -0.62 -0.11 0.05 -0.04 1.46 0.74 2f83A1 LYS 539 HG3 -0.51 0.02 0.03 -0.04 1.46 0.97 2f83A1 LYS 539 HD2 -1.04 0.08 0.02 -0.04 1.69 0.70 2f83A1 LYS 539 HD3 -0.89 0.01 -0.05 -0.04 1.68 0.71 2f83A1 LYS 539 HE2 -0.51 -0.06 0.02 -0.04 2.99 2.40 2f83A1 LYS 539 HE3 -0.42 -0.02 0.03 -0.04 2.99 2.54 2f83A1 MET 540 H 0.01 0.63 -0.45 -0.55 8.47 8.11 2f83A1 MET 540 HA 0.05 0.20 1.14 -0.75 4.52 5.15 2f83A1 MET 540 HB2 0.03 0.06 0.05 -0.04 2.15 2.25 2f83A1 MET 540 HB3 -0.02 -0.03 0.13 -0.04 2.03 2.08 2f83A1 MET 540 HG2 0.15 -0.00 -0.11 -0.04 2.63 2.63 2f83A1 MET 540 HG3 0.10 -0.18 -0.05 -0.04 2.56 2.39 2f83A1 MET 540 HE3 0.58 0.00 0.05 -0.04 2.10 2.68 2f83A1 ILE 541 H 0.02 0.55 0.10 -0.55 8.25 8.37 2f83A1 ILE 541 HA -0.01 0.08 0.75 -0.75 4.18 4.25 2f83A1 ILE 541 HB 0.00 0.07 -0.16 -0.04 1.89 1.76 2f83A1 ILE 541 HG12 -0.10 0.05 -0.35 -0.04 1.49 1.06 2f83A1 ILE 541 HG13 -0.03 -0.01 -0.04 -0.04 1.21 1.09 2f83A1 ILE 541 HG23 0.01 -0.01 -0.28 -0.04 0.93 0.60 2f83A1 ILE 541 HD13 -0.04 -0.01 -0.11 -0.04 0.88 0.68 2f83A1 CYS 542 H -0.04 0.11 0.08 -0.55 8.50 8.10 2f83A1 CYS 542 HA -0.00 0.19 0.63 -0.75 4.58 4.64 2f83A1 CYS 542 HB2 -0.02 0.12 -0.08 -0.04 2.97 2.95 2f83A1 CYS 542 HB3 -0.06 -0.05 -0.11 -0.04 2.97 2.71 2f83A1 ALA 543 H 0.01 0.52 0.05 -0.55 8.40 8.43 2f83A1 ALA 543 HA -0.08 0.03 0.49 -0.75 4.34 4.03 2f83A1 ALA 543 HB3 -0.28 0.06 -0.19 -0.04 1.41 0.96 2f83A1 LYS 554 HA 0.08 -0.15 0.27 -0.75 4.32 3.76 2f83A1 LYS 554 HB2 0.06 0.06 0.12 -0.04 1.87 2.07 2f83A1 LYS 554 HB3 0.06 0.05 0.01 -0.04 1.79 1.88 2f83A1 LYS 554 HG2 0.04 -0.00 0.06 -0.04 1.46 1.52 2f83A1 LYS 554 HG3 0.04 0.04 0.04 -0.04 1.46 1.54 2f83A1 LYS 554 HD2 0.05 0.04 0.04 -0.04 1.69 1.78 2f83A1 LYS 554 HD3 0.05 -0.06 0.05 -0.04 1.68 1.68 2f83A1 LYS 554 HE2 0.03 0.00 0.02 -0.04 2.99 3.00 2f83A1 LYS 554 HE3 0.02 0.02 0.02 -0.04 2.99 3.02 2f83A1 GLY 555 H 0.12 -0.20 0.25 -0.55 8.43 8.06 2f83A1 GLY 555 HA2 0.36 0.13 0.21 -0.51 4.01 4.20 2f83A1 GLY 555 HA3 0.23 0.24 0.60 -0.51 4.01 4.57 2f83A1 ASP 556 H 0.11 0.05 0.20 -0.55 8.40 8.21 2f83A1 ASP 556 HA 0.12 0.23 0.88 -0.75 4.63 5.10 2f83A1 ASP 556 HB2 0.03 0.06 0.00 -0.04 2.71 2.76 2f83A1 ASP 556 HB3 0.03 0.07 0.10 -0.04 2.70 2.86 2f83A1 SER 557 H 0.10 -0.24 0.18 -0.55 8.46 7.96 2f83A1 SER 557 HA 0.10 0.26 0.59 -0.75 4.49 4.70 2f83A1 SER 557 HB2 0.07 0.02 0.25 -0.04 3.95 4.25 2f83A1 SER 557 HB3 -0.00 0.04 0.07 -0.04 3.93 4.00 2f83A1 GLY 558 H 0.01 0.48 0.33 -0.55 8.43 8.70 2f83A1 GLY 558 HA2 0.00 -0.18 0.43 -0.51 4.01 3.76 2f83A1 GLY 558 HA3 -0.00 0.24 0.77 -0.51 4.01 4.50 2f83A1 GLY 559 H 0.06 0.27 -0.91 -0.55 8.43 7.31 2f83A1 GLY 559 HA2 0.11 0.01 0.30 -0.51 4.01 3.92 2f83A1 GLY 559 HA3 0.08 0.08 0.38 -0.51 4.01 4.04 2f83A1 PRO 560 HA 0.15 0.20 0.76 -0.51 4.44 5.04 2f83A1 PRO 560 HB2 0.27 -0.05 -0.07 -0.04 2.28 2.40 2f83A1 PRO 560 HB3 0.23 0.08 -0.00 -0.04 2.02 2.28 2f83A1 PRO 560 HG2 0.13 -0.09 0.13 -0.04 2.03 2.16 2f83A1 PRO 560 HG3 0.27 0.05 0.02 -0.04 2.03 2.33 2f83A1 PRO 560 HD2 0.05 0.18 0.28 -0.04 3.68 4.15 2f83A1 PRO 560 HD3 0.14 0.19 0.10 -0.04 3.65 4.04 2f83A1 LEU 561 H 0.13 0.50 0.24 -0.55 8.37 8.70 2f83A1 LEU 561 HA 0.11 0.29 0.97 -0.75 4.35 4.97 2f83A1 LEU 561 HB2 0.00 0.02 -0.07 -0.04 1.64 1.55 2f83A1 LEU 561 HB3 0.02 -0.10 0.21 -0.04 1.64 1.73 2f83A1 LEU 561 HG -0.09 -0.10 -0.10 -0.04 1.64 1.32 2f83A1 LEU 561 HD13 -0.04 0.07 -0.14 -0.04 0.93 0.78 2f83A1 LEU 561 HD23 -0.56 -0.01 -0.16 -0.04 0.89 0.11 2f83A1 SER 562 H 0.23 0.33 0.10 -0.55 8.46 8.57 2f83A1 SER 562 HA 0.20 0.21 0.81 -0.75 4.49 4.95 2f83A1 SER 562 HB2 0.39 -0.01 0.04 -0.04 3.95 4.32 2f83A1 SER 562 HB3 0.46 -0.01 -0.07 -0.04 3.93 4.26 2f83A1 CYS 563 H 0.31 0.40 0.32 -0.55 8.50 8.99 2f83A1 CYS 563 HA 0.41 0.26 1.03 -0.75 4.58 5.52 2f83A1 CYS 563 HB2 -0.28 0.03 0.16 -0.04 2.97 2.85 2f83A1 CYS 563 HB3 0.05 -0.07 -0.07 -0.04 2.97 2.84 2f83A1 LYS 564 H -0.25 0.60 0.31 -0.55 8.42 8.52 2f83A1 LYS 564 HA -1.22 0.19 0.63 -0.75 4.32 3.17 2f83A1 LYS 564 HB2 -2.92 0.01 0.03 -0.04 1.87 -1.05 2f83A1 LYS 564 HB3 -0.60 -0.02 0.11 -0.04 1.79 1.23 2f83A1 LYS 564 HG2 -0.50 -0.14 -0.17 -0.04 1.46 0.60 2f83A1 LYS 564 HG3 -1.13 0.05 -0.19 -0.04 1.46 0.14 2f83A1 LYS 564 HD2 -0.32 0.05 -0.07 -0.04 1.69 1.31 2f83A1 LYS 564 HD3 -0.22 -0.03 -0.05 -0.04 1.68 1.33 2f83A1 LYS 564 HE2 -0.20 -0.17 -0.03 -0.04 2.99 2.56 2f83A1 LYS 564 HE3 -0.22 0.11 -0.15 -0.04 2.99 2.68 2f83A1 HIS 565 H -0.37 0.59 0.32 -0.55 8.41 8.40 2f83A1 HIS 565 HA -0.21 -0.03 0.69 -0.75 4.63 4.33 2f83A1 HIS 565 HB2 -0.27 0.04 -0.38 -0.04 3.26 2.62 2f83A1 HIS 565 HB3 -0.54 0.13 0.01 -0.04 3.20 2.75 2f83A1 HIS 565 HD2 -0.13 -0.02 0.17 -0.04 6.97 6.95 2f83A1 HIS 565 HE1 -0.14 -0.02 -0.04 -0.04 7.75 7.50 2f83A1 ASN 566 H -0.46 0.14 0.14 -0.55 8.53 7.81 2f83A1 ASN 566 HA -0.28 -0.01 0.34 -0.75 4.76 4.06 2f83A1 ASN 566 HB2 -0.24 0.25 -0.05 -0.04 2.88 2.80 2f83A1 ASN 566 HB3 -0.24 0.02 0.22 -0.04 2.79 2.75 2f83A1 ASN 566 HD21 -0.33 0.01 0.02 -0.04 7.03 6.68 2f83A1 ASN 566 HD22 -0.31 -0.03 0.08 -0.04 7.74 7.45 2f83A1 GLU 567 H -0.21 -0.06 -0.33 -0.55 8.60 7.45 2f83A1 GLU 567 HA -0.17 -0.07 0.21 -0.75 4.29 3.51 2f83A1 GLU 567 HB2 -0.08 0.31 0.12 -0.04 2.09 2.40 2f83A1 GLU 567 HB3 -0.05 -0.01 0.22 -0.04 1.99 2.10 2f83A1 GLU 567 HG2 -0.09 -0.09 -0.28 -0.04 2.34 1.83 2f83A1 GLU 567 HG3 -0.04 -0.00 -0.04 -0.04 2.34 2.22 2f83A1 VAL 568 H -0.22 -0.00 -0.16 -0.55 8.24 7.31 2f83A1 VAL 568 HA -0.02 0.18 0.77 -0.75 4.13 4.31 2f83A1 VAL 568 HB 0.15 0.15 0.03 -0.04 2.12 2.41 2f83A1 VAL 568 HG13 0.16 0.03 -0.16 -0.04 0.97 0.96 2f83A1 VAL 568 HG23 0.01 0.01 -0.10 -0.04 0.95 0.84 2f83A1 TRP 569 H 0.20 0.28 0.17 -0.55 7.97 8.07 2f83A1 TRP 569 HA 0.04 0.16 0.82 -0.75 4.62 4.88 2f83A1 TRP 569 HB2 -0.33 0.09 0.14 -0.04 3.23 3.09 2f83A1 TRP 569 HB3 -0.59 -0.05 -0.05 -0.04 3.23 2.50 2f83A1 TRP 569 HD1 0.11 0.11 -0.07 -0.04 7.22 7.33 2f83A1 TRP 569 HE1 -0.01 0.02 -0.08 -0.04 10.20 10.09 2f83A1 TRP 569 HE3 0.10 -0.06 -0.36 -0.04 7.59 7.23 2f83A1 TRP 569 HZ2 -0.26 -0.01 -0.07 -0.04 7.44 7.06 2f83A1 TRP 569 HZ3 0.44 0.16 -0.47 -0.04 7.13 7.22 2f83A1 TRP 569 HH2 -0.14 0.01 -0.12 -0.04 7.19 6.90 2f83A1 HIS 570 H 0.29 0.37 0.27 -0.55 8.41 8.79 2f83A1 HIS 570 HA -0.04 0.33 0.88 -0.75 4.63 5.05 2f83A1 HIS 570 HB2 -0.12 -0.07 0.14 -0.04 3.26 3.17 2f83A1 HIS 570 HB3 -0.05 -0.01 -0.16 -0.04 3.20 2.94 2f83A1 HIS 570 HD2 0.32 -0.08 -0.08 -0.04 6.97 7.08 2f83A1 HIS 570 HE1 0.06 0.13 -0.09 -0.04 7.75 7.80 2f83A1 LEU 571 H -0.07 0.88 0.14 -0.55 8.37 8.78 2f83A1 LEU 571 HA -0.03 -0.02 0.44 -0.75 4.35 3.97 2f83A1 LEU 571 HB2 -0.13 0.00 -0.02 -0.04 1.64 1.45 2f83A1 LEU 571 HB3 -0.03 0.04 0.12 -0.04 1.64 1.72 2f83A1 LEU 571 HG 0.03 -0.04 -0.18 -0.04 1.64 1.41 2f83A1 LEU 571 HD13 0.06 0.01 -0.07 -0.04 0.93 0.89 2f83A1 LEU 571 HD23 0.05 0.01 -0.10 -0.04 0.89 0.81 2f83A1 VAL 572 H -0.05 0.48 0.45 -0.55 8.24 8.57 2f83A1 VAL 572 HA -0.08 0.06 0.53 -0.75 4.13 3.89 2f83A1 VAL 572 HB -0.25 -0.08 0.04 -0.04 2.12 1.79 2f83A1 VAL 572 HG13 -0.64 0.06 0.04 -0.04 0.97 0.40 2f83A1 VAL 572 HG23 -0.15 0.12 0.03 -0.04 0.95 0.91 2f83A1 GLY 573 H 0.01 0.29 0.22 -0.55 8.43 8.41 2f83A1 GLY 573 HA2 0.07 0.17 0.96 -0.51 4.01 4.70 2f83A1 GLY 573 HA3 0.07 0.02 0.28 -0.51 4.01 3.87 2f83A1 ILE 574 H 0.13 0.26 0.31 -0.55 8.25 8.40 2f83A1 ILE 574 HA 0.13 0.37 0.95 -0.75 4.18 4.88 2f83A1 ILE 574 HB 0.02 -0.09 0.05 -0.04 1.89 1.82 2f83A1 ILE 574 HG12 0.07 0.13 -0.24 -0.04 1.49 1.42 2f83A1 ILE 574 HG13 0.05 -0.11 -0.31 -0.04 1.21 0.80 2f83A1 ILE 574 HG23 0.03 0.06 -0.31 -0.04 0.93 0.67 2f83A1 ILE 574 HD13 0.01 -0.01 -0.17 -0.04 0.88 0.67 2f83A1 THR 575 H 0.03 0.86 0.15 -0.55 8.28 8.78 2f83A1 THR 575 HA -0.81 0.06 0.39 -0.75 4.39 3.28 2f83A1 THR 575 HB -0.03 -0.01 0.38 -0.04 4.32 4.61 2f83A1 THR 575 HG23 -0.20 -0.04 -0.23 -0.04 1.22 0.71 2f83A1 SER 576 H -0.33 0.29 0.34 -0.55 8.46 8.22 2f83A1 SER 576 HA 0.23 0.06 0.81 -0.75 4.49 4.84 2f83A1 SER 576 HB2 0.07 0.03 0.06 -0.04 3.95 4.07 2f83A1 SER 576 HB3 -0.07 -0.02 -0.04 -0.04 3.93 3.76 2f83A1 TRP 577 H -0.39 0.30 -0.04 -0.55 7.97 7.29 2f83A1 TRP 577 HA -0.14 0.09 0.45 -0.75 4.62 4.27 2f83A1 TRP 577 HB2 -0.10 0.00 -0.08 -0.04 3.23 3.01 2f83A1 TRP 577 HB3 -0.15 0.10 -0.15 -0.04 3.23 2.98 2f83A1 TRP 577 HD1 -0.03 -0.04 -0.31 -0.04 7.22 6.80 2f83A1 TRP 577 HE1 -0.03 0.05 0.04 -0.04 10.20 10.22 2f83A1 TRP 577 HE3 -0.10 0.01 -0.20 -0.04 7.59 7.26 2f83A1 TRP 577 HZ2 -0.14 0.10 0.02 -0.04 7.44 7.38 2f83A1 TRP 577 HZ3 -0.35 0.02 -0.04 -0.04 7.13 6.72 2f83A1 TRP 577 HH2 -0.51 0.11 -0.03 -0.04 7.19 6.71 2f83A1 GLY 578 H 0.01 0.26 -0.01 -0.55 8.43 8.14 2f83A1 GLY 578 HA2 -0.17 0.01 1.05 -0.51 4.01 4.40 2f83A1 GLY 578 HA3 -0.09 0.12 0.21 -0.51 4.01 3.73 2f83A1 GLU 579 H 0.23 0.09 0.06 -0.55 8.60 8.43 2f83A1 GLU 579 HA 0.13 0.04 0.54 -0.75 4.29 4.25 2f83A1 GLU 579 HB2 0.31 -0.05 0.04 -0.04 2.09 2.36 2f83A1 GLU 579 HB3 0.25 0.06 0.03 -0.04 1.99 2.30 2f83A1 GLU 579 HG2 0.08 -0.02 -0.00 -0.04 2.34 2.36 2f83A1 GLU 579 HG3 0.12 -0.04 0.03 -0.04 2.34 2.42 2f83A1 GLY 580 H 0.06 0.05 0.08 -0.55 8.43 8.08 2f83A1 GLY 580 HA2 0.03 -0.00 0.22 -0.51 4.01 3.75 2f83A1 GLY 580 HA3 0.03 0.12 0.26 -0.51 4.01 3.90 2f83A1 GLU 585 HA -0.03 -0.03 0.13 -0.75 4.29 3.60 2f83A1 GLU 585 HB2 -0.04 -0.04 0.04 -0.04 2.09 2.01 2f83A1 GLU 585 HB3 -0.05 0.04 0.16 -0.04 1.99 2.09 2f83A1 GLU 585 HG2 -0.02 0.01 0.04 -0.04 2.34 2.32 2f83A1 GLU 585 HG3 -0.02 -0.03 0.04 -0.04 2.34 2.30 2f83A1 ARG 586 H -0.03 0.27 -0.06 -0.55 8.46 8.09 2f83A1 ARG 586 HA -0.20 0.07 0.49 -0.75 4.34 3.95 2f83A1 ARG 586 HB2 -0.02 -0.03 0.36 -0.04 1.90 2.17 2f83A1 ARG 586 HB3 0.00 0.23 -0.03 -0.04 1.80 1.96 2f83A1 ARG 586 HG2 -0.04 -0.14 -0.10 -0.04 1.67 1.35 2f83A1 ARG 586 HG3 -0.17 0.01 -0.03 -0.04 1.67 1.44 2f83A1 ARG 586 HD2 -0.07 -0.05 -0.46 -0.04 3.22 2.60 2f83A1 ARG 586 HD3 -0.05 -0.12 -0.08 -0.04 3.22 2.93 2f83A1 PRO 587 HA 0.04 0.09 0.39 -0.51 4.44 4.45 2f83A1 PRO 587 HB2 0.05 0.01 -0.02 -0.04 2.28 2.27 2f83A1 PRO 587 HB3 0.04 0.01 -0.03 -0.04 2.02 2.00 2f83A1 PRO 587 HG2 0.36 -0.23 -0.02 -0.04 2.03 2.10 2f83A1 PRO 587 HG3 0.20 0.02 -0.06 -0.04 2.03 2.15 2f83A1 PRO 587 HD2 -0.04 0.17 -0.14 -0.04 3.68 3.63 2f83A1 PRO 587 HD3 0.02 0.12 -0.28 -0.04 3.65 3.47 2f83A1 GLY 588 H 0.05 0.00 -0.10 -0.55 8.43 7.83 2f83A1 GLY 588 HA2 -0.08 -0.11 0.36 -0.51 4.01 3.66 2f83A1 GLY 588 HA3 0.05 0.23 0.73 -0.51 4.01 4.51 2f83A1 VAL 589 H -0.66 0.25 0.15 -0.55 8.24 7.42 2f83A1 VAL 589 HA -0.29 0.03 0.47 -0.75 4.13 3.59 2f83A1 VAL 589 HB -2.07 0.09 0.12 -0.04 2.12 0.22 2f83A1 VAL 589 HG13 -0.48 0.01 -0.01 -0.04 0.97 0.44 2f83A1 VAL 589 HG23 -1.80 -0.01 0.07 -0.04 0.95 -0.83 2f83A1 TYR 590 H -0.03 0.16 0.08 -0.55 8.29 7.95 2f83A1 TYR 590 HA -0.11 0.05 0.85 -0.75 4.56 4.59 2f83A1 TYR 590 HB2 -0.08 0.33 0.03 -0.04 3.06 3.30 2f83A1 TYR 590 HB3 -0.04 -0.09 -0.04 -0.04 2.98 2.76 2f83A1 TYR 590 HD2 -0.09 -0.10 -0.56 -0.04 7.15 6.36 2f83A1 TYR 590 HE2 -0.05 0.05 -0.22 -0.04 6.85 6.59 2f83A1 THR 591 H 0.07 0.48 0.36 -0.55 8.28 8.64 2f83A1 THR 591 HA 0.09 0.17 0.89 -0.75 4.39 4.78 2f83A1 THR 591 HB -0.06 0.02 -0.08 -0.04 4.32 4.15 2f83A1 THR 591 HG23 -0.02 0.01 -0.07 -0.04 1.22 1.10 2f83A1 ASN 592 H 0.11 0.87 0.08 -0.55 8.53 9.05 2f83A1 ASN 592 HA 0.05 0.16 0.59 -0.75 4.76 4.81 2f83A1 ASN 592 HB2 0.02 0.03 -0.40 -0.04 2.88 2.49 2f83A1 ASN 592 HB3 -0.02 -0.03 0.04 -0.04 2.79 2.74 2f83A1 ASN 592 HD21 0.03 -0.01 -0.01 -0.04 7.03 7.01 2f83A1 ASN 592 HD22 0.02 0.11 -0.01 -0.04 7.74 7.81 2f83A1 VAL 593 H 0.07 0.46 0.30 -0.55 8.24 8.52 2f83A1 VAL 593 HA 0.16 -0.06 0.15 -0.75 4.13 3.63 2f83A1 VAL 593 HB 0.04 0.16 0.11 -0.04 2.12 2.39 2f83A1 VAL 593 HG13 0.06 -0.00 -0.17 -0.04 0.97 0.82 2f83A1 VAL 593 HG23 0.05 -0.01 -0.27 -0.04 0.95 0.68 2f83A1 VAL 594 H 0.05 0.20 -0.19 -0.55 8.24 7.75 2f83A1 VAL 594 HA 0.04 0.13 0.36 -0.75 4.13 3.91 2f83A1 VAL 594 HB 0.02 -0.05 0.03 -0.04 2.12 2.08 2f83A1 VAL 594 HG13 0.04 0.04 -0.14 -0.04 0.97 0.87 2f83A1 VAL 594 HG23 0.06 0.02 0.03 -0.04 0.95 1.01 2f83A1 GLU 595 H -0.05 0.26 -0.09 -0.55 8.60 8.17 2f83A1 GLU 595 HA -0.14 0.01 0.37 -0.75 4.29 3.78 2f83A1 GLU 595 HB2 -0.40 0.14 0.10 -0.04 2.09 1.89 2f83A1 GLU 595 HB3 -0.54 -0.11 0.16 -0.04 1.99 1.46 2f83A1 GLU 595 HG2 -0.10 0.04 0.08 -0.04 2.34 2.31 2f83A1 GLU 595 HG3 -0.30 -0.03 -0.14 -0.04 2.34 1.83 2f83A1 TYR 596 H 0.07 0.66 -0.85 -0.55 8.29 7.61 2f83A1 TYR 596 HA -0.03 0.06 0.90 -0.75 4.56 4.74 2f83A1 TYR 596 HB2 -0.01 0.25 -0.02 -0.04 3.06 3.24 2f83A1 TYR 596 HB3 0.06 -0.13 0.08 -0.04 2.98 2.94 2f83A1 TYR 596 HD2 -0.33 0.06 -0.24 -0.04 7.15 6.61 2f83A1 TYR 596 HE2 -0.48 0.02 -0.03 -0.04 6.85 6.32 2f83A1 VAL 597 H 0.05 0.70 0.21 -0.55 8.24 8.65 2f83A1 VAL 597 HA 0.07 0.04 0.34 -0.75 4.13 3.83 2f83A1 VAL 597 HB 0.02 -0.08 0.16 -0.04 2.12 2.17 2f83A1 VAL 597 HG13 -0.01 0.00 -0.10 -0.04 0.97 0.83 2f83A1 VAL 597 HG23 0.03 0.15 0.19 -0.04 0.95 1.28 2f83A1 ASP 598 H 0.05 0.13 -0.17 -0.55 8.40 7.87 2f83A1 ASP 598 HA 0.01 0.13 0.35 -0.75 4.63 4.36 2f83A1 ASP 598 HB2 0.08 -0.08 0.06 -0.04 2.71 2.73 2f83A1 ASP 598 HB3 0.05 0.00 -0.03 -0.04 2.70 2.67 2f83A1 TRP 599 H 0.27 0.10 -0.19 -0.55 7.97 7.60 2f83A1 TRP 599 HA 0.03 -0.03 0.28 -0.75 4.62 4.16 2f83A1 TRP 599 HB2 0.06 -0.05 0.10 -0.04 3.23 3.30 2f83A1 TRP 599 HB3 0.05 0.23 0.10 -0.04 3.23 3.58 2f83A1 TRP 599 HD1 0.22 -0.02 0.01 -0.04 7.22 7.39 2f83A1 TRP 599 HE1 0.30 -0.07 -0.01 -0.04 10.20 10.38 2f83A1 TRP 599 HE3 -0.04 0.09 -0.16 -0.04 7.59 7.44 2f83A1 TRP 599 HZ2 0.14 -0.01 -0.32 -0.04 7.44 7.20 2f83A1 TRP 599 HZ3 -0.05 0.01 -0.25 -0.04 7.13 6.80 2f83A1 TRP 599 HH2 0.02 0.10 -0.09 -0.04 7.19 7.18 2f83A1 ILE 600 H 0.20 0.54 -0.29 -0.55 8.25 8.15 2f83A1 ILE 600 HA -0.47 -0.04 0.28 -0.75 4.18 3.20 2f83A1 ILE 600 HB -0.03 0.15 0.06 -0.04 1.89 2.03 2f83A1 ILE 600 HG12 0.35 -0.11 -0.08 -0.04 1.49 1.61 2f83A1 ILE 600 HG13 0.29 0.41 -0.04 -0.04 1.21 1.83 2f83A1 ILE 600 HG23 -0.15 -0.02 -0.14 -0.04 0.93 0.58 2f83A1 ILE 600 HD13 0.11 -0.02 -0.13 -0.04 0.88 0.80 2f83A1 LEU 601 H -0.10 0.61 -0.01 -0.55 8.37 8.33 2f83A1 LEU 601 HA -0.21 0.03 0.35 -0.75 4.35 3.76 2f83A1 LEU 601 HB2 -0.07 0.02 0.14 -0.04 1.64 1.69 2f83A1 LEU 601 HB3 -0.09 -0.05 -0.01 -0.04 1.64 1.44 2f83A1 LEU 601 HG -0.08 0.04 0.02 -0.04 1.64 1.59 2f83A1 LEU 601 HD13 -0.06 0.01 -0.09 -0.04 0.93 0.75 2f83A1 LEU 601 HD23 -0.10 -0.02 -0.04 -0.04 0.89 0.69 2f83A1 GLU 602 H -0.17 0.83 -0.14 -0.55 8.60 8.58 2f83A1 GLU 602 HA -0.12 0.02 0.48 -0.75 4.29 3.92 2f83A1 GLU 602 HB2 -0.06 -0.06 -0.02 -0.04 2.09 1.91 2f83A1 GLU 602 HB3 -0.16 0.09 0.04 -0.04 1.99 1.92 2f83A1 GLU 602 HG2 -0.07 -0.02 0.01 -0.04 2.34 2.22 2f83A1 GLU 602 HG3 -0.02 -0.08 -0.05 -0.04 2.34 2.15 2f83A1 LYS 603 H -0.50 0.61 -0.19 -0.55 8.42 7.78 2f83A1 LYS 603 HA -0.32 -0.04 0.30 -0.75 4.32 3.52 2f83A1 LYS 603 HB2 -0.86 0.15 0.09 -0.04 1.87 1.22 2f83A1 LYS 603 HB3 -0.57 -0.12 0.12 -0.04 1.79 1.18 2f83A1 LYS 603 HG2 -1.25 0.26 0.06 -0.04 1.46 0.49 2f83A1 LYS 603 HG3 -1.92 -0.11 -0.07 -0.04 1.46 -0.68 2f83A1 LYS 603 HD2 -0.27 -0.04 -0.03 -0.04 1.69 1.31 2f83A1 LYS 603 HD3 -0.30 0.03 -0.08 -0.04 1.68 1.29 2f83A1 LYS 603 HE2 -0.18 -0.01 -0.05 -0.04 2.99 2.71 2f83A1 LYS 603 HE3 0.15 -0.05 -0.06 -0.04 2.99 2.98 2f83A1 THR 604 H -0.30 0.34 -1.29 -0.55 8.28 6.49 2f83A1 THR 604 HA -0.23 0.07 0.44 -0.75 4.39 3.91 2f83A1 THR 604 HB -0.39 -0.10 -0.01 -0.04 4.32 3.78 2f83A1 THR 604 HG23 -1.65 -0.02 -0.32 -0.04 1.22 -0.81