============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. TRP 12 1.040 94.482 0.658 15.046 -99.200 -91.000 TRP6 12 1.020 96.529 -0.315 14.436 -99.200 -91.000 HIS 13 0.900 87.276 -0.816 14.121 -99.200 -91.000 TRP 18 1.040 87.052 -1.052 31.520 -99.200 -91.000 TRP6 18 1.020 87.673 -2.881 32.852 -99.200 -91.000 TRP 31 1.040 98.794 -9.123 9.713 -99.200 -91.000 TRP6 31 1.020 99.165 -10.178 7.638 -99.200 -91.000 TYR 36 0.840 106.849 -19.089 8.062 -99.200 -91.000 HIS 39 0.900 105.935 -20.725 -1.995 -99.200 -91.000 TYR 41 0.840 101.753 -28.896 3.524 -99.200 -91.000 HIS 55 0.900 114.956 -40.292 19.749 -99.200 -91.000 TYR 56 0.840 111.600 -33.583 16.883 -99.200 -91.000 PHE 57 1.000 107.696 -38.739 11.268 -99.200 -91.000 TYR 59 0.840 104.733 -35.251 8.255 -99.200 -91.000 TRP 63 1.040 98.913 -23.808 4.732 -99.200 -91.000 TRP6 63 1.020 96.978 -22.484 4.369 -99.200 -91.000 TYR 65 0.840 100.683 -20.672 14.826 -99.200 -91.000 PHE 66 1.000 97.201 -13.857 11.412 -99.200 -91.000 PHE 68 1.000 93.225 -14.362 19.047 -99.200 -91.000 PHE 71 1.000 94.401 -13.760 30.588 -99.200 -91.000 HIS 72 0.900 101.276 -9.867 26.307 -99.200 -91.000 HIS 74 0.900 93.013 -10.373 23.608 -99.200 -91.000 PHE 75 1.000 91.819 -7.589 29.847 -99.200 -91.000 TRP 80 1.040 96.239 -7.512 34.588 -99.200 -91.000 TRP6 80 1.020 95.329 -9.482 33.650 -99.200 -91.000 TRP 88 1.040 83.916 -11.026 45.330 -99.200 -91.000 TRP6 88 1.020 85.831 -10.722 46.621 -99.200 -91.000 PHE 90 1.000 89.380 -12.434 34.386 -99.200 -91.000 PHE 97 1.000 91.289 -13.082 12.863 -99.200 -91.000 PHE 100 1.000 91.855 -4.495 9.299 -99.200 -91.000 PHE 127 1.000 92.581 -23.830 6.876 -99.200 -91.000 TYR 132 0.840 87.454 -26.586 17.569 -99.200 -91.000 TYR 136 0.840 93.438 -25.215 19.845 -99.200 -91.000 HIS 142 0.900 104.687 -23.855 20.824 -99.200 -91.000 PHE 149 1.000 103.739 0.429 22.571 -99.200 -91.000 PHE 154 1.000 101.726 -10.216 14.657 -99.200 -91.000 TYR 159 0.840 99.487 -26.330 12.118 -99.200 -91.000 TYR 161 0.840 101.209 -31.987 11.521 -99.200 -91.000 PHE 176 1.000 101.367 -35.136 4.941 -99.200 -91.000 TYR 177 0.840 95.908 -34.591 10.960 -99.200 -91.000 TYR 181 0.840 91.421 -33.474 1.349 -99.200 -91.000 PHE 182 1.000 91.913 -28.740 6.803 -99.200 -91.000 PHE 193 1.000 88.844 -15.301 7.647 -99.200 -91.000 PHE 195 1.000 87.104 -16.481 13.553 -99.200 -91.000 TYR 197 0.840 85.106 -19.385 20.193 -99.200 -91.000 PHE 199 1.000 86.064 -17.252 24.301 -99.200 -91.000 PHE 204 1.000 82.113 -14.946 36.082 -99.200 -91.000 HIS 205 0.900 91.994 -16.596 37.567 -99.200 -91.000 TYR 208 0.840 88.133 -15.729 45.283 -99.200 -91.000 HIS 210 0.900 89.854 -18.939 49.430 -99.200 -91.000 TYR 225 0.840 78.975 -31.128 68.701 -99.200 -91.000 TYR 227 0.840 84.688 -35.064 75.044 -99.200 -91.000 TYR 228 0.840 91.980 -33.574 71.034 -99.200 -91.000 PHE 246 1.000 89.451 -41.192 74.142 -99.200 -91.000 TRP 261 1.040 84.938 -28.428 54.202 -99.200 -91.000 TRP6 261 1.020 83.241 -29.508 52.973 -99.200 -91.000 TYR 267 0.840 103.960 -35.952 40.729 -99.200 -91.000 TYR 284 0.840 120.097 -29.044 42.341 -99.200 -91.000 TRP 286 1.040 116.380 -35.346 33.648 -99.200 -91.000 TRP6 286 1.020 114.373 -34.908 32.465 -99.200 -91.000 TYR 292 0.840 104.457 -36.502 32.168 -99.200 -91.000 HIS 293 0.900 108.220 -43.685 32.738 -99.200 -91.000 HIS 310 0.900 106.997 -17.945 48.807 -99.200 -91.000 PHE 317 1.000 113.893 -21.383 50.927 -99.200 -91.000 PHE 318 1.000 112.818 -20.330 42.559 -99.200 -91.000 PHE 326 1.000 105.139 -14.976 32.666 -99.200 -91.000 TYR 360 0.840 97.323 -33.711 51.310 -99.200 -91.000 TRP 390 1.040 91.901 -27.588 43.548 -99.200 -91.000 TRP6 390 1.020 90.370 -29.379 43.549 -99.200 -91.000 TYR 396 0.840 100.924 -14.991 37.648 -99.200 -91.000 TRP 402 1.040 92.365 -20.596 24.288 -99.200 -91.000 TRP6 402 1.020 92.473 -18.475 23.290 -99.200 -91.000 HIS 407 0.900 86.998 -36.347 21.551 -99.200 -91.000 HIS 411 0.900 88.017 -34.634 29.250 -99.200 -91.000 PHE 412 1.000 89.361 -34.382 39.293 -99.200 -91.000 HIS 413 0.900 89.145 -28.488 38.862 -99.200 -91.000 PHE 421 1.000 89.071 -17.917 31.803 -99.200 -91.000 HIS 425 0.900 83.416 -28.086 21.198 -99.200 -91.000 PHE 445 1.000 104.245 -31.059 -19.599 -99.200 -91.000 PHE 450 1.000 106.684 -23.738 -12.341 -99.200 -91.000 PHE 453 1.000 106.998 -22.148 -6.369 -99.200 -91.000 TYR 457 0.840 107.359 -8.821 2.239 -99.200 -91.000 TRP 468 1.040 87.690 -10.064 27.840 -99.200 -91.000 TRP6 468 1.020 88.981 -11.978 28.076 -99.200 -91.000 TRP 478 1.040 85.971 -0.761 59.182 -99.200 -91.000 TRP6 478 1.020 83.924 0.444 59.256 -99.200 -91.000 TYR 484 0.840 100.231 -3.659 39.841 -99.200 -91.000 TYR 488 0.840 105.493 9.831 45.795 -99.200 -91.000 PHE 496 1.000 103.924 -2.944 33.463 -99.200 -91.000 TYR 504 0.840 105.017 -2.193 26.743 -99.200 -91.000 TYR 514 0.840 97.272 -7.594 43.110 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lp3A1 GLY 80 HA2 0.03 -0.09 0.24 -0.51 4.01 3.68 1lp3A1 GLY 80 HA3 0.04 -0.05 0.18 -0.51 4.01 3.68 1lp3A1 ALA 81 H 0.04 0.19 0.22 -0.55 8.40 8.30 1lp3A1 ALA 81 HA 0.06 0.19 0.66 -0.75 4.34 4.50 1lp3A1 ALA 81 HB3 0.04 0.01 0.04 -0.04 1.41 1.47 1lp3A1 ASP 82 H 0.04 0.34 0.20 -0.55 8.40 8.43 1lp3A1 ASP 82 HA 0.03 -0.02 0.29 -0.75 4.63 4.16 1lp3A1 ASP 82 HB2 0.03 0.12 -0.19 -0.04 2.71 2.63 1lp3A1 ASP 82 HB3 0.03 -0.23 0.19 -0.04 2.70 2.64 1lp3A1 GLY 83 H 0.02 0.06 0.09 -0.55 8.43 8.07 1lp3A1 GLY 83 HA2 0.02 0.23 0.64 -0.51 4.01 4.39 1lp3A1 GLY 83 HA3 0.02 -0.07 0.32 -0.51 4.01 3.77 1lp3A1 VAL 84 H 0.02 0.08 0.13 -0.55 8.24 7.91 1lp3A1 VAL 84 HA 0.02 0.25 0.72 -0.75 4.13 4.37 1lp3A1 VAL 84 HB 0.01 -0.04 0.14 -0.04 2.12 2.18 1lp3A1 VAL 84 HG13 0.01 0.00 -0.25 -0.04 0.97 0.68 1lp3A1 VAL 84 HG23 0.01 0.02 0.00 -0.04 0.95 0.94 1lp3A1 GLY 85 H 0.01 0.06 0.00 -0.55 8.43 7.96 1lp3A1 GLY 85 HA2 0.01 0.20 0.71 -0.51 4.01 4.42 1lp3A1 GLY 85 HA3 0.01 0.00 0.38 -0.51 4.01 3.89 1lp3A1 ASN 86 H 0.03 0.45 -0.75 -0.55 8.53 7.70 1lp3A1 ASN 86 HA 0.02 0.13 0.76 -0.75 4.76 4.92 1lp3A1 ASN 86 HB2 0.03 0.00 -0.09 -0.04 2.88 2.77 1lp3A1 ASN 86 HB3 0.03 0.10 -0.17 -0.04 2.79 2.70 1lp3A1 ASN 86 HD21 0.01 0.00 -0.03 -0.04 7.03 6.97 1lp3A1 ASN 86 HD22 0.02 0.07 -0.04 -0.04 7.74 7.74 1lp3A1 SER 87 H 0.03 0.13 0.01 -0.55 8.46 8.09 1lp3A1 SER 87 HA 0.08 0.05 0.41 -0.75 4.49 4.27 1lp3A1 SER 87 HB2 0.05 0.01 0.09 -0.04 3.95 4.05 1lp3A1 SER 87 HB3 0.03 -0.02 0.12 -0.04 3.93 4.02 1lp3A1 SER 88 H 0.12 0.10 0.26 -0.55 8.46 8.40 1lp3A1 SER 88 HA 0.06 0.11 0.24 -0.75 4.49 4.15 1lp3A1 SER 88 HB2 0.23 -0.01 -0.04 -0.04 3.95 4.09 1lp3A1 SER 88 HB3 0.12 0.11 -0.29 -0.04 3.93 3.83 1lp3A1 GLY 89 H 0.06 0.13 -0.67 -0.55 8.43 7.40 1lp3A1 GLY 89 HA2 -0.25 0.04 0.37 -0.51 4.01 3.66 1lp3A1 GLY 89 HA3 -0.94 0.08 0.16 -0.51 4.01 2.80 1lp3A1 ASN 90 H -0.20 0.10 0.03 -0.55 8.53 7.92 1lp3A1 ASN 90 HA -0.05 0.22 0.88 -0.75 4.76 5.05 1lp3A1 ASN 90 HB2 -0.16 -0.00 0.01 -0.04 2.88 2.69 1lp3A1 ASN 90 HB3 -0.25 -0.02 0.03 -0.04 2.79 2.51 1lp3A1 ASN 90 HD21 -0.02 0.02 -0.09 -0.04 7.03 6.90 1lp3A1 ASN 90 HD22 -0.03 -0.01 -0.08 -0.04 7.74 7.59 1lp3A1 TRP 91 H 0.04 0.13 0.04 -0.55 7.97 7.63 1lp3A1 TRP 91 HA -0.03 0.19 0.74 -0.75 4.62 4.77 1lp3A1 TRP 91 HB2 0.00 0.03 -0.06 -0.04 3.23 3.16 1lp3A1 TRP 91 HB3 -0.08 -0.04 0.12 -0.04 3.23 3.19 1lp3A1 TRP 91 HD1 -0.06 -0.12 -0.46 -0.04 7.22 6.54 1lp3A1 TRP 91 HE1 -0.04 0.03 -0.13 -0.04 10.20 10.02 1lp3A1 TRP 91 HE3 0.04 -0.03 -0.15 -0.04 7.59 7.40 1lp3A1 TRP 91 HZ2 -0.07 0.04 -0.04 -0.04 7.44 7.33 1lp3A1 TRP 91 HZ3 -0.01 -0.04 -0.17 -0.04 7.13 6.86 1lp3A1 TRP 91 HH2 -0.02 0.06 -0.10 -0.04 7.19 7.08 1lp3A1 HIS 92 H -0.22 0.28 -0.00 -0.55 8.41 7.93 1lp3A1 HIS 92 HA 0.07 0.10 0.67 -0.75 4.63 4.71 1lp3A1 HIS 92 HB2 -0.14 0.03 0.03 -0.04 3.26 3.15 1lp3A1 HIS 92 HB3 -0.06 -0.04 -0.09 -0.04 3.20 2.97 1lp3A1 HIS 92 HD2 -0.23 0.12 -0.12 -0.04 6.97 6.70 1lp3A1 HIS 92 HE1 -0.05 0.00 -0.13 -0.04 7.75 7.53 1lp3A1 CYS 93 H 0.18 0.17 -0.02 -0.55 8.50 8.28 1lp3A1 CYS 93 HA 0.01 0.20 0.51 -0.75 4.58 4.54 1lp3A1 CYS 93 HB2 0.26 -0.04 -0.38 -0.04 2.97 2.77 1lp3A1 CYS 93 HB3 0.40 -0.02 0.14 -0.04 2.97 3.45 1lp3A1 ASP 94 H 0.06 -0.01 -0.08 -0.55 8.40 7.82 1lp3A1 ASP 94 HA 0.07 0.24 0.90 -0.75 4.63 5.10 1lp3A1 ASP 94 HB2 0.07 -0.06 0.05 -0.04 2.71 2.73 1lp3A1 ASP 94 HB3 0.04 -0.00 0.05 -0.04 2.70 2.74 1lp3A1 SER 95 H 0.05 0.14 0.09 -0.55 8.46 8.20 1lp3A1 SER 95 HA -0.04 0.25 0.78 -0.75 4.49 4.73 1lp3A1 SER 95 HB2 0.01 0.23 0.24 -0.04 3.95 4.39 1lp3A1 SER 95 HB3 0.10 -0.08 -0.03 -0.04 3.93 3.87 1lp3A1 THR 96 H -0.11 0.61 0.38 -0.55 8.28 8.62 1lp3A1 THR 96 HA 0.15 0.24 1.19 -0.75 4.39 5.21 1lp3A1 THR 96 HB 0.07 0.06 0.08 -0.04 4.32 4.48 1lp3A1 THR 96 HG23 0.02 0.02 -0.10 -0.04 1.22 1.12 1lp3A1 TRP 97 H 0.38 0.22 0.22 -0.55 7.97 8.25 1lp3A1 TRP 97 HA 0.04 0.17 0.96 -0.75 4.62 5.04 1lp3A1 TRP 97 HB2 0.00 0.01 0.13 -0.04 3.23 3.33 1lp3A1 TRP 97 HB3 -0.00 0.00 0.04 -0.04 3.23 3.23 1lp3A1 TRP 97 HD1 0.02 -0.00 -0.01 -0.04 7.22 7.19 1lp3A1 TRP 97 HE1 0.04 0.01 -0.09 -0.04 10.20 10.12 1lp3A1 TRP 97 HE3 -0.03 0.01 -0.05 -0.04 7.59 7.48 1lp3A1 TRP 97 HZ2 0.04 -0.02 -0.05 -0.04 7.44 7.36 1lp3A1 TRP 97 HZ3 -0.14 0.07 -0.12 -0.04 7.13 6.90 1lp3A1 TRP 97 HH2 -0.22 -0.03 -0.04 -0.04 7.19 6.86 1lp3A1 MET 98 H 0.13 0.58 0.10 -0.55 8.47 8.73 1lp3A1 MET 98 HA 0.10 0.31 1.08 -0.75 4.52 5.27 1lp3A1 MET 98 HB2 0.06 -0.23 0.03 -0.04 2.15 1.97 1lp3A1 MET 98 HB3 0.05 0.06 0.14 -0.04 2.03 2.24 1lp3A1 MET 98 HG2 0.04 -0.08 -0.66 -0.04 2.63 1.90 1lp3A1 MET 98 HG3 0.02 -0.05 -0.23 -0.04 2.56 2.27 1lp3A1 MET 98 HE3 0.02 0.00 -0.03 -0.04 2.10 2.05 1lp3A1 GLY 99 H 0.21 0.16 -0.07 -0.55 8.43 8.19 1lp3A1 GLY 99 HA2 0.09 0.05 0.37 -0.51 4.01 4.01 1lp3A1 GLY 99 HA3 0.07 0.17 0.74 -0.51 4.01 4.48 1lp3A1 ASP 100 H 0.07 0.08 -0.44 -0.55 8.40 7.57 1lp3A1 ASP 100 HA 0.07 0.28 1.05 -0.75 4.63 5.28 1lp3A1 ASP 100 HB2 0.06 0.02 0.02 -0.04 2.71 2.77 1lp3A1 ASP 100 HB3 0.06 -0.04 0.08 -0.04 2.70 2.76 1lp3A1 ARG 101 H 0.07 -0.12 0.03 -0.55 8.46 7.88 1lp3A1 ARG 101 HA 0.08 0.44 1.00 -0.75 4.34 5.11 1lp3A1 ARG 101 HB2 0.02 -0.06 0.02 -0.04 1.90 1.85 1lp3A1 ARG 101 HB3 0.05 0.09 0.08 -0.04 1.80 1.97 1lp3A1 ARG 101 HG2 0.05 -0.09 0.00 -0.04 1.67 1.58 1lp3A1 ARG 101 HG3 0.03 0.03 -0.04 -0.04 1.67 1.64 1lp3A1 ARG 101 HD2 0.07 0.10 -0.41 -0.04 3.22 2.94 1lp3A1 ARG 101 HD3 0.06 -0.01 -0.12 -0.04 3.22 3.11 1lp3A1 VAL 102 H 0.01 0.26 0.17 -0.55 8.24 8.14 1lp3A1 VAL 102 HA -0.24 0.14 0.75 -0.75 4.13 4.02 1lp3A1 VAL 102 HB -0.74 0.00 0.13 -0.04 2.12 1.48 1lp3A1 VAL 102 HG13 -0.14 -0.03 -0.27 -0.04 0.97 0.49 1lp3A1 VAL 102 HG23 -1.15 -0.00 -0.32 -0.04 0.95 -0.56 1lp3A1 ILE 103 H -0.16 0.56 0.37 -0.55 8.25 8.47 1lp3A1 ILE 103 HA 0.04 0.35 1.35 -0.75 4.18 5.17 1lp3A1 ILE 103 HB -0.05 -0.08 0.12 -0.04 1.89 1.84 1lp3A1 ILE 103 HG12 -0.03 0.03 -0.09 -0.04 1.49 1.36 1lp3A1 ILE 103 HG13 -0.02 0.01 -0.20 -0.04 1.21 0.96 1lp3A1 ILE 103 HG23 -0.04 0.01 -0.28 -0.04 0.93 0.57 1lp3A1 ILE 103 HD13 -0.03 -0.05 -0.03 -0.04 0.88 0.72 1lp3A1 THR 104 H 0.10 0.60 0.34 -0.55 8.28 8.77 1lp3A1 THR 104 HA -0.08 0.12 1.24 -0.75 4.39 4.91 1lp3A1 THR 104 HB -0.11 0.32 0.13 -0.04 4.32 4.61 1lp3A1 THR 104 HG23 -0.59 -0.05 -0.09 -0.04 1.22 0.45 1lp3A1 THR 105 H -0.02 0.21 0.05 -0.55 8.28 7.97 1lp3A1 THR 105 HA -0.05 0.05 0.73 -0.75 4.39 4.37 1lp3A1 THR 105 HB 0.01 -0.26 -0.10 -0.04 4.32 3.92 1lp3A1 THR 105 HG23 -0.03 0.04 -0.18 -0.04 1.22 1.01 1lp3A1 SER 106 H -0.11 0.14 0.14 -0.55 8.46 8.09 1lp3A1 SER 106 HA -0.10 -0.07 0.59 -0.75 4.49 4.16 1lp3A1 SER 106 HB2 -0.08 0.02 0.24 -0.04 3.95 4.09 1lp3A1 SER 106 HB3 -0.07 -0.01 -0.40 -0.04 3.93 3.41 1lp3A1 THR 107 H -0.35 0.16 0.23 -0.55 8.28 7.77 1lp3A1 THR 107 HA -0.38 0.24 1.26 -0.75 4.39 4.75 1lp3A1 THR 107 HB -2.37 -0.09 -0.09 -0.04 4.32 1.74 1lp3A1 THR 107 HG23 -0.49 0.00 -0.22 -0.04 1.22 0.48 1lp3A1 ARG 108 H -0.25 0.69 0.43 -0.55 8.46 8.77 1lp3A1 ARG 108 HA 0.02 0.12 0.75 -0.75 4.34 4.48 1lp3A1 ARG 108 HB2 0.09 -0.09 -0.00 -0.04 1.90 1.85 1lp3A1 ARG 108 HB3 0.23 0.15 0.10 -0.04 1.80 2.24 1lp3A1 ARG 108 HG2 0.05 0.12 0.22 -0.04 1.67 2.02 1lp3A1 ARG 108 HG3 -0.10 -0.12 -0.54 -0.04 1.67 0.87 1lp3A1 ARG 108 HD2 -0.12 -0.14 -0.02 -0.04 3.22 2.90 1lp3A1 ARG 108 HD3 -0.00 0.16 0.03 -0.04 3.22 3.36 1lp3A1 THR 109 H 0.27 0.26 0.17 -0.55 8.28 8.43 1lp3A1 THR 109 HA -0.04 0.06 0.80 -0.75 4.39 4.45 1lp3A1 THR 109 HB 0.09 0.01 0.10 -0.04 4.32 4.48 1lp3A1 THR 109 HG23 -0.16 0.00 -0.04 -0.04 1.22 0.99 1lp3A1 TRP 110 H -0.84 0.57 0.41 -0.55 7.97 7.56 1lp3A1 TRP 110 HA -0.40 0.19 1.05 -0.75 4.62 4.70 1lp3A1 TRP 110 HB2 -0.73 -0.01 0.05 -0.04 3.23 2.50 1lp3A1 TRP 110 HB3 -0.66 0.02 -0.17 -0.04 3.23 2.39 1lp3A1 TRP 110 HD1 0.07 0.01 0.03 -0.04 7.22 7.29 1lp3A1 TRP 110 HE1 -0.17 0.00 -0.92 -0.04 10.20 9.08 1lp3A1 TRP 110 HE3 -0.12 0.02 -0.54 -0.04 7.59 6.90 1lp3A1 TRP 110 HZ2 0.01 -0.04 -0.31 -0.04 7.44 7.06 1lp3A1 TRP 110 HZ3 0.01 -0.04 -0.34 -0.04 7.13 6.72 1lp3A1 TRP 110 HH2 0.05 -0.02 -0.21 -0.04 7.19 6.97 1lp3A1 ALA 111 H -0.06 0.48 0.41 -0.55 8.40 8.69 1lp3A1 ALA 111 HA -0.05 0.16 1.00 -0.75 4.34 4.70 1lp3A1 ALA 111 HB3 -0.09 -0.01 -0.01 -0.04 1.41 1.25 1lp3A1 LEU 112 H 0.21 0.70 0.21 -0.55 8.37 8.95 1lp3A1 LEU 112 HA -0.01 0.20 1.02 -0.75 4.35 4.80 1lp3A1 LEU 112 HB2 0.12 0.02 -0.19 -0.04 1.64 1.55 1lp3A1 LEU 112 HB3 0.33 -0.09 -0.00 -0.04 1.64 1.83 1lp3A1 LEU 112 HG -0.02 0.18 -0.22 -0.04 1.64 1.54 1lp3A1 LEU 112 HD13 0.02 0.00 0.03 -0.04 0.93 0.95 1lp3A1 LEU 112 HD23 -0.01 -0.02 -0.20 -0.04 0.89 0.61 1lp3A1 PRO 113 HA -0.09 0.05 0.51 -0.51 4.44 4.40 1lp3A1 PRO 113 HB2 -0.56 0.03 -0.07 -0.04 2.28 1.64 1lp3A1 PRO 113 HB3 -0.26 -0.02 0.09 -0.04 2.02 1.79 1lp3A1 PRO 113 HG2 -0.35 0.06 0.02 -0.04 2.03 1.73 1lp3A1 PRO 113 HG3 -0.22 0.01 -0.00 -0.04 2.03 1.77 1lp3A1 PRO 113 HD2 -0.48 0.18 0.16 -0.04 3.68 3.50 1lp3A1 PRO 113 HD3 -0.14 0.21 0.22 -0.04 3.65 3.91 1lp3A1 THR 114 H -0.23 0.13 0.14 -0.55 8.28 7.77 1lp3A1 THR 114 HA -0.27 0.28 1.21 -0.75 4.39 4.86 1lp3A1 THR 114 HB -0.62 0.04 0.14 -0.04 4.32 3.84 1lp3A1 THR 114 HG23 -0.07 0.04 0.06 -0.04 1.22 1.21 1lp3A1 TYR 115 H -0.12 0.35 0.06 -0.55 8.29 8.02 1lp3A1 TYR 115 HA -0.10 0.03 0.62 -0.75 4.56 4.36 1lp3A1 TYR 115 HB2 -0.09 0.14 0.07 -0.04 3.06 3.14 1lp3A1 TYR 115 HB3 -0.06 0.02 -0.02 -0.04 2.98 2.88 1lp3A1 TYR 115 HD2 -0.07 0.02 -0.06 -0.04 7.15 7.01 1lp3A1 TYR 115 HE2 -0.07 0.03 -0.07 -0.04 6.85 6.70 1lp3A1 ASN 116 H 0.09 0.15 0.15 -0.55 8.53 8.37 1lp3A1 ASN 116 HA 0.02 0.01 0.31 -0.75 4.76 4.35 1lp3A1 ASN 116 HB2 0.01 0.07 -0.30 -0.04 2.88 2.62 1lp3A1 ASN 116 HB3 0.04 0.12 0.19 -0.04 2.79 3.10 1lp3A1 ASN 116 HD21 -0.00 0.00 -0.04 -0.04 7.03 6.95 1lp3A1 ASN 116 HD22 0.03 -0.05 0.07 -0.04 7.74 7.75 1lp3A1 ASN 117 H -0.07 0.09 -0.44 -0.55 8.53 7.56 1lp3A1 ASN 117 HA -0.22 0.06 0.20 -0.75 4.76 4.04 1lp3A1 ASN 117 HB2 0.00 -0.06 -0.00 -0.04 2.88 2.77 1lp3A1 ASN 117 HB3 0.04 0.07 -0.07 -0.04 2.79 2.78 1lp3A1 ASN 117 HD21 0.26 0.05 0.11 -0.04 7.03 7.41 1lp3A1 ASN 117 HD22 0.16 -0.01 0.10 -0.04 7.74 7.95 1lp3A1 HIS 118 H -0.20 0.71 -0.46 -0.55 8.41 7.91 1lp3A1 HIS 118 HA -0.11 -0.02 0.29 -0.75 4.63 4.04 1lp3A1 HIS 118 HB2 -0.29 0.32 0.36 -0.04 3.26 3.61 1lp3A1 HIS 118 HB3 -0.23 -0.10 0.19 -0.04 3.20 3.02 1lp3A1 HIS 118 HD2 -0.66 0.07 -0.18 -0.04 6.97 6.16 1lp3A1 HIS 118 HE1 -0.20 0.14 0.02 -0.04 7.75 7.67 1lp3A1 LEU 119 H 0.07 0.87 -0.07 -0.55 8.37 8.69 1lp3A1 LEU 119 HA 0.26 0.19 1.26 -0.75 4.35 5.30 1lp3A1 LEU 119 HB2 0.17 0.11 -0.10 -0.04 1.64 1.78 1lp3A1 LEU 119 HB3 0.19 -0.05 0.07 -0.04 1.64 1.81 1lp3A1 LEU 119 HG 0.10 0.33 0.03 -0.04 1.64 2.05 1lp3A1 LEU 119 HD13 0.10 -0.04 -0.06 -0.04 0.93 0.89 1lp3A1 LEU 119 HD23 0.16 -0.02 -0.08 -0.04 0.89 0.90 1lp3A1 TYR 120 H 0.52 0.09 0.20 -0.55 8.29 8.55 1lp3A1 TYR 120 HA 0.16 0.21 0.73 -0.75 4.56 4.91 1lp3A1 TYR 120 HB2 0.19 -0.04 0.15 -0.04 3.06 3.31 1lp3A1 TYR 120 HB3 0.18 0.04 0.05 -0.04 2.98 3.21 1lp3A1 TYR 120 HD2 0.32 0.05 0.05 -0.04 7.15 7.53 1lp3A1 TYR 120 HE2 0.33 -0.03 0.04 -0.04 6.85 7.15 1lp3A1 LYS 121 H 0.14 0.52 0.36 -0.55 8.42 8.89 1lp3A1 LYS 121 HA 0.09 0.14 1.02 -0.75 4.32 4.81 1lp3A1 LYS 121 HB2 0.03 -0.01 0.09 -0.04 1.87 1.93 1lp3A1 LYS 121 HB3 0.01 0.09 -0.00 -0.04 1.79 1.85 1lp3A1 LYS 121 HG2 0.05 -0.02 0.02 -0.04 1.46 1.46 1lp3A1 LYS 121 HG3 0.08 0.08 -0.43 -0.04 1.46 1.15 1lp3A1 LYS 121 HD2 0.03 0.00 -0.05 -0.04 1.69 1.63 1lp3A1 LYS 121 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.61 1lp3A1 LYS 121 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 1lp3A1 LYS 121 HE3 0.05 0.04 -0.06 -0.04 2.99 2.98 1lp3A1 GLN 122 H 0.02 0.11 0.19 -0.55 8.47 8.24 1lp3A1 GLN 122 HA -0.40 0.12 0.72 -0.75 4.36 4.04 1lp3A1 GLN 122 HB2 0.02 -0.02 0.10 -0.04 2.15 2.21 1lp3A1 GLN 122 HB3 -0.06 -0.04 0.15 -0.04 2.02 2.03 1lp3A1 GLN 122 HG2 -0.52 0.11 -0.15 -0.04 2.40 1.80 1lp3A1 GLN 122 HG3 -0.65 0.01 0.05 -0.04 2.39 1.75 1lp3A1 GLN 122 HE21 0.06 -0.03 -0.02 -0.04 6.97 6.94 1lp3A1 GLN 122 HE22 -0.03 -0.01 -0.06 -0.04 7.69 7.56 1lp3A1 ILE 123 H -0.72 0.83 0.50 -0.55 8.25 8.32 1lp3A1 ILE 123 HA -0.15 0.08 0.82 -0.75 4.18 4.17 1lp3A1 ILE 123 HB -0.04 -0.02 -0.04 -0.04 1.89 1.75 1lp3A1 ILE 123 HG12 -0.39 0.30 -0.19 -0.04 1.49 1.17 1lp3A1 ILE 123 HG13 -0.04 -0.04 -0.46 -0.04 1.21 0.63 1lp3A1 ILE 123 HG23 -0.15 0.03 -0.33 -0.04 0.93 0.44 1lp3A1 ILE 123 HD13 -0.23 -0.01 -0.35 -0.04 0.88 0.25 1lp3A1 SER 124 H -0.06 0.22 0.19 -0.55 8.46 8.26 1lp3A1 SER 124 HA -0.07 0.09 0.65 -0.75 4.49 4.41 1lp3A1 SER 124 HB2 -0.11 0.09 0.29 -0.04 3.95 4.18 1lp3A1 SER 124 HB3 0.03 -0.03 0.15 -0.04 3.93 4.03 1lp3A1 SER 125 H -0.82 0.49 0.28 -0.55 8.46 7.87 1lp3A1 SER 125 HA -0.97 0.07 0.31 -0.75 4.49 3.15 1lp3A1 SER 125 HB2 -0.23 0.21 0.14 -0.04 3.95 4.02 1lp3A1 SER 125 HB3 -0.51 -0.15 0.26 -0.04 3.93 3.49 1lp3A1 GLN 126 H -0.12 0.16 0.08 -0.55 8.47 8.04 1lp3A1 GLN 126 HA -0.06 0.23 0.82 -0.75 4.36 4.60 1lp3A1 GLN 126 HB2 -0.04 0.06 0.16 -0.04 2.15 2.28 1lp3A1 GLN 126 HB3 -0.03 -0.14 0.26 -0.04 2.02 2.07 1lp3A1 GLN 126 HG2 -0.02 -0.02 0.05 -0.04 2.40 2.37 1lp3A1 GLN 126 HG3 -0.02 -0.04 -0.02 -0.04 2.39 2.26 1lp3A1 GLN 126 HE21 -0.01 0.03 0.01 -0.04 6.97 6.96 1lp3A1 GLN 126 HE22 -0.01 -0.05 0.01 -0.04 7.69 7.60 1lp3A1 SER 127 H -0.04 0.37 0.04 -0.55 8.46 8.28 1lp3A1 SER 127 HA -0.03 0.00 0.32 -0.75 4.49 4.03 1lp3A1 SER 127 HB2 -0.01 0.02 -0.00 -0.04 3.95 3.92 1lp3A1 SER 127 HB3 -0.02 0.04 0.08 -0.04 3.93 4.00 1lp3A1 GLY 128 H 0.01 -0.01 0.11 -0.55 8.43 7.99 1lp3A1 GLY 128 HA2 0.03 -0.00 0.46 -0.51 4.01 3.99 1lp3A1 GLY 128 HA3 0.00 -0.09 0.36 -0.51 4.01 3.77 1lp3A1 ALA 129 H -0.02 0.15 0.10 -0.55 8.40 8.08 1lp3A1 ALA 129 HA -0.09 -0.14 0.36 -0.75 4.34 3.72 1lp3A1 ALA 129 HB3 -0.12 -0.00 -0.05 -0.04 1.41 1.19 1lp3A1 SER 130 H -0.15 0.01 0.10 -0.55 8.46 7.87 1lp3A1 SER 130 HA -0.14 0.04 0.39 -0.75 4.49 4.02 1lp3A1 SER 130 HB2 -0.18 0.02 0.13 -0.04 3.95 3.88 1lp3A1 SER 130 HB3 -0.21 0.02 0.05 -0.04 3.93 3.74 1lp3A1 ASN 131 H -0.10 0.10 0.22 -0.55 8.53 8.19 1lp3A1 ASN 131 HA -0.28 0.17 0.46 -0.75 4.76 4.35 1lp3A1 ASN 131 HB2 0.05 0.02 0.17 -0.04 2.88 3.08 1lp3A1 ASN 131 HB3 0.01 -0.04 0.19 -0.04 2.79 2.91 1lp3A1 ASN 131 HD21 0.10 0.07 -0.25 -0.04 7.03 6.91 1lp3A1 ASN 131 HD22 0.08 0.02 -0.06 -0.04 7.74 7.74 1lp3A1 ASP 132 H -0.09 0.03 -0.09 -0.55 8.40 7.70 1lp3A1 ASP 132 HA 0.05 0.03 0.33 -0.75 4.63 4.29 1lp3A1 ASP 132 HB2 -0.23 -0.07 -0.03 -0.04 2.71 2.33 1lp3A1 ASP 132 HB3 -0.01 0.28 0.14 -0.04 2.70 3.07 1lp3A1 ASN 133 H -0.20 0.26 -1.16 -0.55 8.53 6.89 1lp3A1 ASN 133 HA 0.00 0.26 0.89 -0.75 4.76 5.16 1lp3A1 ASN 133 HB2 -0.17 -0.02 -0.10 -0.04 2.88 2.55 1lp3A1 ASN 133 HB3 -0.06 -0.07 0.11 -0.04 2.79 2.73 1lp3A1 ASN 133 HD21 -0.17 0.00 -0.07 -0.04 7.03 6.76 1lp3A1 ASN 133 HD22 -0.16 -0.10 -0.06 -0.04 7.74 7.38 1lp3A1 HIS 134 H -0.02 0.48 0.00 -0.55 8.41 8.32 1lp3A1 HIS 134 HA -0.11 0.01 0.60 -0.75 4.63 4.37 1lp3A1 HIS 134 HB2 0.02 0.07 0.01 -0.04 3.26 3.32 1lp3A1 HIS 134 HB3 -0.02 0.06 -0.36 -0.04 3.20 2.85 1lp3A1 HIS 134 HD2 -0.01 -0.05 0.07 -0.04 6.97 6.94 1lp3A1 HIS 134 HE1 -0.06 0.28 -0.38 -0.04 7.75 7.54 1lp3A1 TYR 135 H -0.07 0.15 0.17 -0.55 8.29 7.98 1lp3A1 TYR 135 HA 0.11 0.13 0.37 -0.75 4.56 4.43 1lp3A1 TYR 135 HB2 0.05 -0.01 0.02 -0.04 3.06 3.08 1lp3A1 TYR 135 HB3 0.06 0.29 -0.30 -0.04 2.98 2.99 1lp3A1 TYR 135 HD2 -0.03 0.13 -0.48 -0.04 7.15 6.73 1lp3A1 TYR 135 HE2 -0.07 -0.01 -0.35 -0.04 6.85 6.38 1lp3A1 PHE 136 H 0.33 0.34 0.11 -0.55 8.34 8.57 1lp3A1 PHE 136 HA 0.08 0.18 0.87 -0.75 4.62 5.00 1lp3A1 PHE 136 HB2 -0.02 0.06 -0.33 -0.04 3.15 2.82 1lp3A1 PHE 136 HB3 0.03 0.20 -0.03 -0.04 3.06 3.21 1lp3A1 PHE 136 HD2 -0.05 0.05 -0.21 -0.04 7.28 7.03 1lp3A1 PHE 136 HE2 -0.08 -0.03 -0.07 -0.04 7.38 7.17 1lp3A1 PHE 136 HZ -0.13 -0.04 -0.04 -0.04 7.32 7.07 1lp3A1 GLY 137 H -0.96 0.83 0.46 -0.55 8.43 8.22 1lp3A1 GLY 137 HA2 -0.28 -0.03 0.60 -0.51 4.01 3.80 1lp3A1 GLY 137 HA3 -0.24 0.20 0.58 -0.51 4.01 4.03 1lp3A1 TYR 138 H -0.57 0.27 0.30 -0.55 8.29 7.75 1lp3A1 TYR 138 HA -0.30 0.23 1.27 -0.75 4.56 5.02 1lp3A1 TYR 138 HB2 -0.47 -0.06 0.02 -0.04 3.06 2.51 1lp3A1 TYR 138 HB3 -0.09 0.09 0.08 -0.04 2.98 3.02 1lp3A1 TYR 138 HD2 -0.14 0.02 -0.15 -0.04 7.15 6.85 1lp3A1 TYR 138 HE2 0.04 0.04 -0.09 -0.04 6.85 6.80 1lp3A1 SER 139 H 0.01 0.56 0.42 -0.55 8.46 8.90 1lp3A1 SER 139 HA -0.14 0.14 1.04 -0.75 4.49 4.78 1lp3A1 SER 139 HB2 -0.09 0.06 0.06 -0.04 3.95 3.94 1lp3A1 SER 139 HB3 -0.10 -0.02 -0.01 -0.04 3.93 3.75 1lp3A1 THR 140 H -0.01 0.76 0.35 -0.55 8.28 8.82 1lp3A1 THR 140 HA -0.20 0.19 1.08 -0.75 4.39 4.71 1lp3A1 THR 140 HB -0.08 -0.10 0.05 -0.04 4.32 4.16 1lp3A1 THR 140 HG23 0.40 -0.01 -0.25 -0.04 1.22 1.32 1lp3A1 PRO 141 HA 0.01 0.07 0.23 -0.51 4.44 4.24 1lp3A1 PRO 141 HB2 -0.14 -0.02 -0.14 -0.04 2.28 1.94 1lp3A1 PRO 141 HB3 -0.05 0.01 -0.05 -0.04 2.02 1.89 1lp3A1 PRO 141 HG2 -0.01 0.12 -0.28 -0.04 2.03 1.83 1lp3A1 PRO 141 HG3 -0.05 0.17 -0.69 -0.04 2.03 1.42 1lp3A1 PRO 141 HD2 -0.45 0.02 0.03 -0.04 3.68 3.24 1lp3A1 PRO 141 HD3 -1.07 0.08 0.05 -0.04 3.65 2.67 1lp3A1 TRP 142 H 0.29 -0.06 -0.57 -0.55 7.97 7.08 1lp3A1 TRP 142 HA 0.04 0.17 0.68 -0.75 4.62 4.76 1lp3A1 TRP 142 HB2 0.03 -0.07 -0.04 -0.04 3.23 3.10 1lp3A1 TRP 142 HB3 -0.04 0.05 -0.13 -0.04 3.23 3.07 1lp3A1 TRP 142 HD1 -0.09 -0.06 -0.10 -0.04 7.22 6.93 1lp3A1 TRP 142 HE1 0.28 -0.05 -0.23 -0.04 10.20 10.16 1lp3A1 TRP 142 HE3 -0.08 -0.03 -0.24 -0.04 7.59 7.20 1lp3A1 TRP 142 HZ2 0.19 -0.00 -0.21 -0.04 7.44 7.37 1lp3A1 TRP 142 HZ3 0.05 0.09 -0.38 -0.04 7.13 6.85 1lp3A1 TRP 142 HH2 0.26 -0.02 -0.24 -0.04 7.19 7.14 1lp3A1 GLY 143 H 0.15 0.70 0.43 -0.55 8.43 9.17 1lp3A1 GLY 143 HA2 0.06 0.03 1.30 -0.51 4.01 4.89 1lp3A1 GLY 143 HA3 0.06 0.10 0.41 -0.51 4.01 4.08 1lp3A1 TYR 144 H -0.05 0.32 0.09 -0.55 8.29 8.10 1lp3A1 TYR 144 HA -0.09 0.23 1.16 -0.75 4.56 5.11 1lp3A1 TYR 144 HB2 -0.09 0.02 0.11 -0.04 3.06 3.06 1lp3A1 TYR 144 HB3 -0.09 -0.10 -0.16 -0.04 2.98 2.58 1lp3A1 TYR 144 HD2 -0.01 0.02 -0.29 -0.04 7.15 6.83 1lp3A1 TYR 144 HE2 -0.06 0.06 -0.36 -0.04 6.85 6.45 1lp3A1 PHE 145 H 0.26 0.43 0.30 -0.55 8.34 8.78 1lp3A1 PHE 145 HA -0.02 0.26 0.96 -0.75 4.62 5.07 1lp3A1 PHE 145 HB2 0.16 -0.04 0.05 -0.04 3.15 3.28 1lp3A1 PHE 145 HB3 0.32 -0.02 -0.16 -0.04 3.06 3.15 1lp3A1 PHE 145 HD2 0.08 0.02 -0.17 -0.04 7.28 7.17 1lp3A1 PHE 145 HE2 -0.51 0.00 -0.20 -0.04 7.38 6.64 1lp3A1 PHE 145 HZ -2.00 -0.01 -0.22 -0.04 7.32 5.05 1lp3A1 ASP 146 H 0.23 0.34 0.12 -0.55 8.40 8.54 1lp3A1 ASP 146 HA -0.18 0.08 0.68 -0.75 4.63 4.46 1lp3A1 ASP 146 HB2 0.01 0.02 -0.03 -0.04 2.71 2.67 1lp3A1 ASP 146 HB3 0.07 0.07 -0.50 -0.04 2.70 2.30 1lp3A1 PHE 147 H -0.84 0.19 0.02 -0.55 8.34 7.15 1lp3A1 PHE 147 HA 0.05 0.05 0.82 -0.75 4.62 4.80 1lp3A1 PHE 147 HB2 0.21 0.06 0.15 -0.04 3.15 3.53 1lp3A1 PHE 147 HB3 0.07 0.11 -0.09 -0.04 3.06 3.12 1lp3A1 PHE 147 HD2 0.43 0.01 -0.22 -0.04 7.28 7.46 1lp3A1 PHE 147 HE2 0.35 0.00 -0.16 -0.04 7.38 7.53 1lp3A1 PHE 147 HZ 0.20 0.02 -0.15 -0.04 7.32 7.35 1lp3A1 ASN 148 H -0.23 0.14 -0.12 -0.55 8.53 7.77 1lp3A1 ASN 148 HA -0.52 0.19 0.64 -0.75 4.76 4.33 1lp3A1 ASN 148 HB2 -0.91 -0.03 0.11 -0.04 2.88 2.00 1lp3A1 ASN 148 HB3 -0.49 0.03 0.23 -0.04 2.79 2.52 1lp3A1 ASN 148 HD21 -2.84 0.08 -0.10 -0.04 7.03 4.13 1lp3A1 ASN 148 HD22 -1.82 -0.03 -0.03 -0.04 7.74 5.81 1lp3A1 ARG 149 H 0.11 0.43 -0.83 -0.55 8.46 7.62 1lp3A1 ARG 149 HA -0.11 0.49 0.68 -0.75 4.34 4.65 1lp3A1 ARG 149 HB2 0.00 -0.09 -0.06 -0.04 1.90 1.71 1lp3A1 ARG 149 HB3 -0.45 -0.03 -0.10 -0.04 1.80 1.19 1lp3A1 ARG 149 HG2 -0.09 0.18 -0.17 -0.04 1.67 1.55 1lp3A1 ARG 149 HG3 -0.07 -0.07 -0.43 -0.04 1.67 1.06 1lp3A1 ARG 149 HD2 0.05 -0.17 -0.11 -0.04 3.22 2.95 1lp3A1 ARG 149 HD3 0.13 0.06 -0.11 -0.04 3.22 3.25 1lp3A1 PHE 150 H 0.01 0.58 0.03 -0.55 8.34 8.41 1lp3A1 PHE 150 HA 0.45 -0.03 0.30 -0.75 4.62 4.59 1lp3A1 PHE 150 HB2 -0.17 0.42 0.20 -0.04 3.15 3.57 1lp3A1 PHE 150 HB3 0.05 -0.17 0.02 -0.04 3.06 2.91 1lp3A1 PHE 150 HD2 0.29 0.06 -0.10 -0.04 7.28 7.49 1lp3A1 PHE 150 HE2 0.40 0.10 -0.05 -0.04 7.38 7.79 1lp3A1 PHE 150 HZ 0.43 0.00 0.00 -0.04 7.32 7.71 1lp3A1 HIS 151 H -0.10 0.17 -0.23 -0.55 8.41 7.71 1lp3A1 HIS 151 HA 0.14 0.10 0.70 -0.75 4.63 4.81 1lp3A1 HIS 151 HB2 0.07 0.01 0.15 -0.04 3.26 3.45 1lp3A1 HIS 151 HB3 -0.04 -0.08 -0.08 -0.04 3.20 2.96 1lp3A1 HIS 151 HD2 0.04 -0.09 -0.02 -0.04 6.97 6.85 1lp3A1 HIS 151 HE1 0.05 0.13 -0.13 -0.04 7.75 7.76 1lp3A1 CYS 152 H 0.30 0.67 -0.32 -0.55 8.50 8.59 1lp3A1 CYS 152 HA 0.03 0.21 0.42 -0.75 4.58 4.49 1lp3A1 CYS 152 HB2 -0.27 0.05 0.02 -0.04 2.97 2.73 1lp3A1 CYS 152 HB3 -0.15 -0.04 0.08 -0.04 2.97 2.82 1lp3A1 HIS 153 H 0.26 0.19 -0.25 -0.55 8.41 8.06 1lp3A1 HIS 153 HA -0.02 0.24 0.81 -0.75 4.63 4.91 1lp3A1 HIS 153 HB2 -0.11 -0.00 0.01 -0.04 3.26 3.11 1lp3A1 HIS 153 HB3 -0.07 -0.04 0.02 -0.04 3.20 3.07 1lp3A1 HIS 153 HD2 0.33 0.07 -0.06 -0.04 6.97 7.27 1lp3A1 HIS 153 HE1 -0.04 -0.08 -0.13 -0.04 7.75 7.45 1lp3A1 PHE 154 H 0.37 0.44 0.28 -0.55 8.34 8.88 1lp3A1 PHE 154 HA 0.14 0.17 1.09 -0.75 4.62 5.27 1lp3A1 PHE 154 HB2 0.22 0.07 0.03 -0.04 3.15 3.43 1lp3A1 PHE 154 HB3 0.30 -0.18 -0.04 -0.04 3.06 3.11 1lp3A1 PHE 154 HD2 0.22 0.03 -0.04 -0.04 7.28 7.45 1lp3A1 PHE 154 HE2 -0.69 -0.01 -0.11 -0.04 7.38 6.52 1lp3A1 PHE 154 HZ -1.38 -0.00 -0.11 -0.04 7.32 5.78 1lp3A1 SER 155 H 0.30 0.09 0.15 -0.55 8.46 8.46 1lp3A1 SER 155 HA 0.13 0.36 0.88 -0.75 4.49 5.10 1lp3A1 SER 155 HB2 0.11 0.01 0.02 -0.04 3.95 4.05 1lp3A1 SER 155 HB3 0.11 0.19 0.00 -0.04 3.93 4.18 1lp3A1 PRO 156 HA -0.22 0.04 0.28 -0.51 4.44 4.03 1lp3A1 PRO 156 HB2 -0.04 -0.20 0.14 -0.04 2.28 2.14 1lp3A1 PRO 156 HB3 -0.50 0.07 0.07 -0.04 2.02 1.63 1lp3A1 PRO 156 HG2 0.16 0.12 0.09 -0.04 2.03 2.35 1lp3A1 PRO 156 HG3 -0.24 0.04 0.10 -0.04 2.03 1.88 1lp3A1 PRO 156 HD2 0.12 0.11 0.11 -0.04 3.68 3.98 1lp3A1 PRO 156 HD3 0.12 0.27 0.20 -0.04 3.65 4.20 1lp3A1 ARG 157 H 0.02 0.12 -0.11 -0.55 8.46 7.94 1lp3A1 ARG 157 HA 0.01 0.02 0.30 -0.75 4.34 3.92 1lp3A1 ARG 157 HB2 0.05 0.03 0.11 -0.04 1.90 2.04 1lp3A1 ARG 157 HB3 0.08 -0.06 0.09 -0.04 1.80 1.87 1lp3A1 ARG 157 HG2 0.03 0.01 -0.03 -0.04 1.67 1.64 1lp3A1 ARG 157 HG3 0.02 0.02 -0.38 -0.04 1.67 1.28 1lp3A1 ARG 157 HD2 -0.00 -0.02 0.05 -0.04 3.22 3.21 1lp3A1 ARG 157 HD3 0.01 0.01 0.01 -0.04 3.22 3.21 1lp3A1 ASP 158 H 0.17 0.08 -0.03 -0.55 8.40 8.07 1lp3A1 ASP 158 HA 0.30 -0.03 0.45 -0.75 4.63 4.59 1lp3A1 ASP 158 HB2 0.34 -0.13 0.27 -0.04 2.71 3.16 1lp3A1 ASP 158 HB3 0.62 0.03 -0.00 -0.04 2.70 3.31 1lp3A1 TRP 159 H 0.38 0.26 -0.22 -0.55 7.97 7.85 1lp3A1 TRP 159 HA -0.46 -0.03 0.33 -0.75 4.62 3.71 1lp3A1 TRP 159 HB2 -0.11 -0.06 -0.12 -0.04 3.23 2.91 1lp3A1 TRP 159 HB3 -0.20 0.18 -0.03 -0.04 3.23 3.14 1lp3A1 TRP 159 HD1 -0.40 -0.01 -0.20 -0.04 7.22 6.57 1lp3A1 TRP 159 HE1 -0.25 0.21 -0.07 -0.04 10.20 10.04 1lp3A1 TRP 159 HE3 -1.00 -0.02 -0.04 -0.04 7.59 6.49 1lp3A1 TRP 159 HZ2 -0.34 -0.03 -0.10 -0.04 7.44 6.93 1lp3A1 TRP 159 HZ3 -0.94 0.04 -0.08 -0.04 7.13 6.11 1lp3A1 TRP 159 HH2 -1.06 0.05 -0.25 -0.04 7.19 5.89 1lp3A1 GLN 160 H 0.05 0.60 -0.30 -0.55 8.47 8.27 1lp3A1 GLN 160 HA -0.25 -0.07 0.24 -0.75 4.36 3.53 1lp3A1 GLN 160 HB2 -0.07 -0.08 -0.02 -0.04 2.15 1.94 1lp3A1 GLN 160 HB3 -0.07 0.17 0.15 -0.04 2.02 2.23 1lp3A1 GLN 160 HG2 -0.10 -0.02 -0.18 -0.04 2.40 2.07 1lp3A1 GLN 160 HG3 0.02 -0.03 -0.03 -0.04 2.39 2.31 1lp3A1 GLN 160 HE21 0.03 -0.14 -0.00 -0.04 6.97 6.82 1lp3A1 GLN 160 HE22 0.06 0.44 0.10 -0.04 7.69 8.24 1lp3A1 ARG 161 H -0.14 0.52 0.02 -0.55 8.46 8.32 1lp3A1 ARG 161 HA -0.33 -0.04 0.34 -0.75 4.34 3.55 1lp3A1 ARG 161 HB2 -1.01 -0.01 0.12 -0.04 1.90 0.96 1lp3A1 ARG 161 HB3 -0.92 -0.08 0.05 -0.04 1.80 0.81 1lp3A1 ARG 161 HG2 -0.26 -0.05 0.06 -0.04 1.67 1.39 1lp3A1 ARG 161 HG3 -0.11 0.13 0.23 -0.04 1.67 1.87 1lp3A1 ARG 161 HD2 -1.13 -0.03 0.01 -0.04 3.22 2.03 1lp3A1 ARG 161 HD3 -0.53 -0.03 0.00 -0.04 3.22 2.62 1lp3A1 LEU 162 H -0.11 0.43 -0.12 -0.55 8.37 8.02 1lp3A1 LEU 162 HA -0.05 -0.03 0.28 -0.75 4.35 3.80 1lp3A1 LEU 162 HB2 -0.05 -0.07 0.03 -0.04 1.64 1.51 1lp3A1 LEU 162 HB3 -0.67 0.22 0.23 -0.04 1.64 1.37 1lp3A1 LEU 162 HG -0.59 0.01 -0.43 -0.04 1.64 0.59 1lp3A1 LEU 162 HD13 -1.03 -0.02 -0.11 -0.04 0.93 -0.27 1lp3A1 LEU 162 HD23 -1.68 -0.02 -0.03 -0.04 0.89 -0.88 1lp3A1 ILE 163 H -0.74 0.64 0.10 -0.55 8.25 7.70 1lp3A1 ILE 163 HA -0.42 0.04 0.42 -0.75 4.18 3.46 1lp3A1 ILE 163 HB -1.17 0.04 0.08 -0.04 1.89 0.80 1lp3A1 ILE 163 HG12 -0.10 0.00 0.03 -0.04 1.49 1.38 1lp3A1 ILE 163 HG13 -0.38 -0.03 0.20 -0.04 1.21 0.95 1lp3A1 ILE 163 HG23 -0.43 0.03 -0.18 -0.04 0.93 0.31 1lp3A1 ILE 163 HD13 -0.06 -0.08 -0.29 -0.04 0.88 0.41 1lp3A1 ASN 164 H -0.29 0.49 -0.57 -0.55 8.53 7.62 1lp3A1 ASN 164 HA -0.15 0.08 0.98 -0.75 4.76 4.92 1lp3A1 ASN 164 HB2 -0.21 0.25 0.13 -0.04 2.88 3.01 1lp3A1 ASN 164 HB3 -0.16 -0.10 0.07 -0.04 2.79 2.56 1lp3A1 ASN 164 HD21 -0.09 0.19 0.09 -0.04 7.03 7.18 1lp3A1 ASN 164 HD22 -0.12 -0.01 0.00 -0.04 7.74 7.58 1lp3A1 ASN 165 H -0.20 0.58 0.14 -0.55 8.53 8.50 1lp3A1 ASN 165 HA -0.20 0.16 1.09 -0.75 4.76 5.05 1lp3A1 ASN 165 HB2 -0.18 -0.03 0.22 -0.04 2.88 2.86 1lp3A1 ASN 165 HB3 -0.19 -0.07 0.19 -0.04 2.79 2.68 1lp3A1 ASN 165 HD21 -0.28 -0.07 0.03 -0.04 7.03 6.66 1lp3A1 ASN 165 HD22 -0.26 -0.05 0.02 -0.04 7.74 7.40 1lp3A1 ASN 166 H -0.10 0.29 -0.03 -0.55 8.53 8.14 1lp3A1 ASN 166 HA -0.09 -0.01 1.06 -0.75 4.76 4.97 1lp3A1 ASN 166 HB2 -0.06 0.07 0.08 -0.04 2.88 2.92 1lp3A1 ASN 166 HB3 0.02 0.04 0.09 -0.04 2.79 2.90 1lp3A1 ASN 166 HD21 -0.08 -0.05 -0.16 -0.04 7.03 6.70 1lp3A1 ASN 166 HD22 -0.13 -0.13 -0.45 -0.04 7.74 6.99 1lp3A1 TRP 167 H 0.14 0.14 -0.05 -0.55 7.97 7.65 1lp3A1 TRP 167 HA 0.05 -0.00 0.24 -0.75 4.62 4.16 1lp3A1 TRP 167 HB2 -0.01 0.17 -0.19 -0.04 3.23 3.15 1lp3A1 TRP 167 HB3 -0.05 -0.04 -0.08 -0.04 3.23 3.02 1lp3A1 TRP 167 HD1 -0.05 0.19 -0.08 -0.04 7.22 7.24 1lp3A1 TRP 167 HE1 -0.07 0.04 -0.13 -0.04 10.20 10.00 1lp3A1 TRP 167 HE3 0.03 0.15 -0.16 -0.04 7.59 7.56 1lp3A1 TRP 167 HZ2 -0.07 -0.03 -0.09 -0.04 7.44 7.22 1lp3A1 TRP 167 HZ3 0.05 -0.02 -0.56 -0.04 7.13 6.56 1lp3A1 TRP 167 HH2 -0.02 0.31 -0.87 -0.04 7.19 6.56 1lp3A1 GLY 168 H 0.18 0.26 -0.37 -0.55 8.43 7.95 1lp3A1 GLY 168 HA2 0.24 0.13 0.40 -0.51 4.01 4.27 1lp3A1 GLY 168 HA3 0.17 0.05 0.40 -0.51 4.01 4.12 1lp3A1 PHE 169 H -0.11 0.37 0.28 -0.55 8.34 8.32 1lp3A1 PHE 169 HA -0.62 0.06 0.54 -0.75 4.62 3.85 1lp3A1 PHE 169 HB2 0.00 0.22 0.20 -0.04 3.15 3.52 1lp3A1 PHE 169 HB3 -0.12 0.05 -0.17 -0.04 3.06 2.78 1lp3A1 PHE 169 HD2 0.12 -0.02 -0.27 -0.04 7.28 7.07 1lp3A1 PHE 169 HE2 0.04 0.00 -0.11 -0.04 7.38 7.27 1lp3A1 PHE 169 HZ -0.42 -0.00 -0.10 -0.04 7.32 6.76 1lp3A1 ARG 170 H 0.30 0.53 0.28 -0.55 8.46 9.02 1lp3A1 ARG 170 HA 0.20 0.13 0.54 -0.75 4.34 4.45 1lp3A1 ARG 170 HB2 -0.05 0.10 0.01 -0.04 1.90 1.92 1lp3A1 ARG 170 HB3 0.63 -0.05 -0.39 -0.04 1.80 1.95 1lp3A1 ARG 170 HG2 0.64 -0.15 -0.15 -0.04 1.67 1.98 1lp3A1 ARG 170 HG3 0.11 0.18 -0.36 -0.04 1.67 1.56 1lp3A1 ARG 170 HD2 0.05 0.03 -0.15 -0.04 3.22 3.10 1lp3A1 ARG 170 HD3 0.08 -0.09 -0.22 -0.04 3.22 2.95 1lp3A1 PRO 171 HA -0.58 0.07 0.69 -0.51 4.44 4.11 1lp3A1 PRO 171 HB2 -2.11 0.01 -0.11 -0.04 2.28 0.03 1lp3A1 PRO 171 HB3 -1.38 0.03 0.01 -0.04 2.02 0.65 1lp3A1 PRO 171 HG2 -0.94 0.04 0.04 -0.04 2.03 1.12 1lp3A1 PRO 171 HG3 -1.03 0.07 0.01 -0.04 2.03 1.04 1lp3A1 PRO 171 HD2 -0.94 0.14 0.19 -0.04 3.68 3.03 1lp3A1 PRO 171 HD3 -0.95 0.16 0.15 -0.04 3.65 2.97 1lp3A1 LYS 172 H -0.43 0.61 0.46 -0.55 8.42 8.50 1lp3A1 LYS 172 HA -0.00 0.24 1.11 -0.75 4.32 4.92 1lp3A1 LYS 172 HB2 -0.04 0.02 0.13 -0.04 1.87 1.93 1lp3A1 LYS 172 HB3 0.02 -0.04 -0.03 -0.04 1.79 1.70 1lp3A1 LYS 172 HG2 0.03 0.07 -0.47 -0.04 1.46 1.04 1lp3A1 LYS 172 HG3 0.05 -0.05 -0.18 -0.04 1.46 1.24 1lp3A1 LYS 172 HD2 0.09 -0.03 -0.09 -0.04 1.69 1.62 1lp3A1 LYS 172 HD3 0.04 -0.03 -0.07 -0.04 1.68 1.58 1lp3A1 LYS 172 HE2 0.04 0.03 -0.05 -0.04 2.99 2.97 1lp3A1 LYS 172 HE3 0.08 0.04 -0.12 -0.04 2.99 2.95 1lp3A1 ARG 173 H -0.08 0.36 0.47 -0.55 8.46 8.65 1lp3A1 ARG 173 HA 0.23 0.03 0.92 -0.75 4.34 4.77 1lp3A1 ARG 173 HB2 0.02 0.12 0.32 -0.04 1.90 2.32 1lp3A1 ARG 173 HB3 0.01 -0.08 -0.18 -0.04 1.80 1.52 1lp3A1 ARG 173 HG2 -0.04 -0.17 -0.26 -0.04 1.67 1.16 1lp3A1 ARG 173 HG3 -0.01 0.15 -0.02 -0.04 1.67 1.75 1lp3A1 ARG 173 HD2 -0.04 -0.03 -0.08 -0.04 3.22 3.03 1lp3A1 ARG 173 HD3 -0.02 0.05 -0.02 -0.04 3.22 3.18 1lp3A1 LEU 174 H 0.08 0.68 0.35 -0.55 8.37 8.93 1lp3A1 LEU 174 HA -0.07 0.12 0.83 -0.75 4.35 4.48 1lp3A1 LEU 174 HB2 -0.08 0.16 0.19 -0.04 1.64 1.86 1lp3A1 LEU 174 HB3 0.06 -0.05 -0.16 -0.04 1.64 1.46 1lp3A1 LEU 174 HG -0.10 -0.09 -0.12 -0.04 1.64 1.28 1lp3A1 LEU 174 HD13 -0.17 -0.00 -0.71 -0.04 0.93 0.00 1lp3A1 LEU 174 HD23 -0.02 0.01 -0.15 -0.04 0.89 0.69 1lp3A1 ASN 175 H -0.13 0.72 0.44 -0.55 8.53 9.01 1lp3A1 ASN 175 HA -0.17 0.11 1.09 -0.75 4.76 5.03 1lp3A1 ASN 175 HB2 -0.10 -0.04 -0.19 -0.04 2.88 2.51 1lp3A1 ASN 175 HB3 -0.13 -0.06 0.09 -0.04 2.79 2.65 1lp3A1 ASN 175 HD21 -0.10 -0.00 -0.05 -0.04 7.03 6.84 1lp3A1 ASN 175 HD22 -0.11 -0.05 -0.06 -0.04 7.74 7.48 1lp3A1 PHE 176 H -0.35 0.86 0.52 -0.55 8.34 8.82 1lp3A1 PHE 176 HA -0.31 0.32 1.14 -0.75 4.62 5.01 1lp3A1 PHE 176 HB2 -0.52 -0.03 -0.05 -0.04 3.15 2.50 1lp3A1 PHE 176 HB3 -1.30 0.01 0.06 -0.04 3.06 1.80 1lp3A1 PHE 176 HD2 -0.16 -0.02 -0.40 -0.04 7.28 6.66 1lp3A1 PHE 176 HE2 0.10 -0.01 -0.15 -0.04 7.38 7.28 1lp3A1 PHE 176 HZ -0.62 -0.00 -0.16 -0.04 7.32 6.50 1lp3A1 LYS 177 H -0.87 0.53 0.37 -0.55 8.42 7.89 1lp3A1 LYS 177 HA 0.07 0.37 0.88 -0.75 4.32 4.89 1lp3A1 LYS 177 HB2 -0.08 0.04 -0.06 -0.04 1.87 1.73 1lp3A1 LYS 177 HB3 -0.09 -0.07 -0.03 -0.04 1.79 1.57 1lp3A1 LYS 177 HG2 0.35 -0.01 -0.39 -0.04 1.46 1.36 1lp3A1 LYS 177 HG3 0.08 0.03 -0.15 -0.04 1.46 1.38 1lp3A1 LYS 177 HD2 -0.08 0.00 -0.07 -0.04 1.69 1.51 1lp3A1 LYS 177 HD3 -0.14 -0.06 -0.09 -0.04 1.68 1.35 1lp3A1 LYS 177 HE2 -0.85 -0.02 -0.18 -0.04 2.99 1.90 1lp3A1 LYS 177 HE3 -0.26 0.19 -0.05 -0.04 2.99 2.82 1lp3A1 LEU 178 H 0.26 0.70 0.41 -0.55 8.37 9.19 1lp3A1 LEU 178 HA -0.17 0.18 1.05 -0.75 4.35 4.66 1lp3A1 LEU 178 HB2 0.36 -0.03 0.19 -0.04 1.64 2.11 1lp3A1 LEU 178 HB3 0.16 0.03 -0.04 -0.04 1.64 1.74 1lp3A1 LEU 178 HG 0.12 -0.04 -0.12 -0.04 1.64 1.56 1lp3A1 LEU 178 HD13 -0.00 -0.00 -0.12 -0.04 0.93 0.77 1lp3A1 LEU 178 HD23 -0.66 0.01 -0.06 -0.04 0.89 0.14 1lp3A1 PHE 179 H -0.34 0.80 0.32 -0.55 8.34 8.56 1lp3A1 PHE 179 HA 0.13 0.12 0.58 -0.75 4.62 4.69 1lp3A1 PHE 179 HB2 0.06 -0.19 -0.19 -0.04 3.15 2.79 1lp3A1 PHE 179 HB3 0.05 0.18 -0.22 -0.04 3.06 3.03 1lp3A1 PHE 179 HD2 -0.00 -0.06 -0.58 -0.04 7.28 6.60 1lp3A1 PHE 179 HE2 -0.05 -0.01 -0.29 -0.04 7.38 6.99 1lp3A1 PHE 179 HZ -0.17 -0.05 -0.26 -0.04 7.32 6.81 1lp3A1 ASN 180 H 0.24 0.20 0.19 -0.55 8.53 8.62 1lp3A1 ASN 180 HA 0.11 -0.02 0.46 -0.75 4.76 4.55 1lp3A1 ASN 180 HB2 0.01 0.18 -0.25 -0.04 2.88 2.78 1lp3A1 ASN 180 HB3 0.02 0.00 0.30 -0.04 2.79 3.07 1lp3A1 ASN 180 HD21 0.30 -0.16 -0.08 -0.04 7.03 7.04 1lp3A1 ASN 180 HD22 1.05 0.00 -0.34 -0.04 7.74 8.41 1lp3A1 ILE 181 H 0.11 0.03 -0.21 -0.55 8.25 7.63 1lp3A1 ILE 181 HA 0.02 0.25 0.59 -0.75 4.18 4.28 1lp3A1 ILE 181 HB 0.12 0.02 0.08 -0.04 1.89 2.07 1lp3A1 ILE 181 HG12 0.38 0.04 -0.07 -0.04 1.49 1.80 1lp3A1 ILE 181 HG13 0.30 -0.05 -0.12 -0.04 1.21 1.29 1lp3A1 ILE 181 HG23 0.10 -0.01 -0.33 -0.04 0.93 0.64 1lp3A1 ILE 181 HD13 0.20 0.04 -0.13 -0.04 0.88 0.95 1lp3A1 GLN 182 H -0.10 0.54 0.30 -0.55 8.47 8.67 1lp3A1 GLN 182 HA -0.04 0.05 0.52 -0.75 4.36 4.14 1lp3A1 GLN 182 HB2 -0.09 -0.07 -0.09 -0.04 2.15 1.86 1lp3A1 GLN 182 HB3 -0.06 0.05 0.03 -0.04 2.02 2.01 1lp3A1 GLN 182 HG2 -0.16 0.14 -0.18 -0.04 2.40 2.16 1lp3A1 GLN 182 HG3 -0.16 -0.09 -0.10 -0.04 2.39 2.01 1lp3A1 GLN 182 HE21 -0.07 -0.08 -0.02 -0.04 6.97 6.76 1lp3A1 GLN 182 HE22 -0.15 0.08 0.00 -0.04 7.69 7.59 1lp3A1 VAL 183 H -0.06 0.20 0.05 -0.55 8.24 7.88 1lp3A1 VAL 183 HA -0.16 0.25 1.13 -0.75 4.13 4.59 1lp3A1 VAL 183 HB -0.06 -0.00 -0.07 -0.04 2.12 1.94 1lp3A1 VAL 183 HG13 -0.07 0.02 -0.24 -0.04 0.97 0.65 1lp3A1 VAL 183 HG23 -0.01 0.02 -0.23 -0.04 0.95 0.70 1lp3A1 LYS 184 H -0.47 0.57 0.32 -0.55 8.42 8.27 1lp3A1 LYS 184 HA -0.19 0.08 0.86 -0.75 4.32 4.32 1lp3A1 LYS 184 HB2 -0.88 0.08 -0.00 -0.04 1.87 1.03 1lp3A1 LYS 184 HB3 -0.41 -0.08 -0.11 -0.04 1.79 1.14 1lp3A1 LYS 184 HG2 -0.11 -0.00 -0.18 -0.04 1.46 1.12 1lp3A1 LYS 184 HG3 -0.12 -0.06 -0.33 -0.04 1.46 0.91 1lp3A1 LYS 184 HD2 -0.18 -0.08 -0.72 -0.04 1.69 0.66 1lp3A1 LYS 184 HD3 -0.16 0.07 -0.26 -0.04 1.68 1.28 1lp3A1 LYS 184 HE2 -0.08 -0.07 -0.15 -0.04 2.99 2.65 1lp3A1 LYS 184 HE3 -0.07 0.03 -0.16 -0.04 2.99 2.75 1lp3A1 GLU 185 H -0.10 0.59 0.31 -0.55 8.60 8.85 1lp3A1 GLU 185 HA -0.06 0.06 1.07 -0.75 4.29 4.60 1lp3A1 GLU 185 HB2 -0.01 0.23 0.12 -0.04 2.09 2.39 1lp3A1 GLU 185 HB3 -0.05 -0.00 -0.14 -0.04 1.99 1.76 1lp3A1 GLU 185 HG2 -0.04 0.12 0.06 -0.04 2.34 2.43 1lp3A1 GLU 185 HG3 -0.01 -0.03 0.06 -0.04 2.34 2.33 1lp3A1 VAL 186 H 0.06 0.13 0.08 -0.55 8.24 7.97 1lp3A1 VAL 186 HA 0.04 0.02 0.41 -0.75 4.13 3.85 1lp3A1 VAL 186 HB 0.12 -0.02 -0.03 -0.04 2.12 2.16 1lp3A1 VAL 186 HG13 0.10 0.01 -0.06 -0.04 0.97 0.98 1lp3A1 VAL 186 HG23 0.04 -0.05 -0.25 -0.04 0.95 0.65 1lp3A1 THR 187 H 0.02 -0.05 0.03 -0.55 8.28 7.74 1lp3A1 THR 187 HA 0.02 0.17 0.88 -0.75 4.39 4.70 1lp3A1 THR 187 HB 0.01 -0.03 0.27 -0.04 4.32 4.53 1lp3A1 THR 187 HG23 0.01 -0.01 -0.03 -0.04 1.22 1.15 1lp3A1 GLN 188 H 0.02 0.22 -0.01 -0.55 8.47 8.15 1lp3A1 GLN 188 HA 0.01 0.14 0.62 -0.75 4.36 4.38 1lp3A1 GLN 188 HB2 0.02 -0.00 0.16 -0.04 2.15 2.29 1lp3A1 GLN 188 HB3 0.01 0.08 0.07 -0.04 2.02 2.13 1lp3A1 GLN 188 HG2 0.01 0.02 -0.05 -0.04 2.40 2.33 1lp3A1 GLN 188 HG3 0.01 -0.12 -0.11 -0.04 2.39 2.14 1lp3A1 GLN 188 HE21 0.00 0.02 -0.01 -0.04 6.97 6.93 1lp3A1 GLN 188 HE22 0.00 0.00 -0.02 -0.04 7.69 7.63 1lp3A1 ASN 189 H 0.01 0.54 -0.04 -0.55 8.53 8.49 1lp3A1 ASN 189 HA 0.01 0.00 0.58 -0.75 4.76 4.60 1lp3A1 ASN 189 HB2 0.01 0.11 0.13 -0.04 2.88 3.09 1lp3A1 ASN 189 HB3 0.01 -0.05 -0.02 -0.04 2.79 2.68 1lp3A1 ASN 189 HD21 0.01 0.00 -0.03 -0.04 7.03 6.96 1lp3A1 ASN 189 HD22 0.01 -0.01 -0.00 -0.04 7.74 7.70 1lp3A1 ASP 190 H 0.01 0.13 0.12 -0.55 8.40 8.11 1lp3A1 ASP 190 HA 0.01 0.02 0.28 -0.75 4.63 4.18 1lp3A1 ASP 190 HB2 0.00 -0.33 0.18 -0.04 2.71 2.52 1lp3A1 ASP 190 HB3 0.00 0.01 0.07 -0.04 2.70 2.74 1lp3A1 GLY 191 H 0.00 0.12 0.09 -0.55 8.43 8.09 1lp3A1 GLY 191 HA2 0.00 0.11 0.73 -0.51 4.01 4.34 1lp3A1 GLY 191 HA3 0.00 -0.03 0.40 -0.51 4.01 3.87 1lp3A1 THR 192 H 0.00 0.27 -0.39 -0.55 8.28 7.62 1lp3A1 THR 192 HA 0.00 -0.10 0.36 -0.75 4.39 3.90 1lp3A1 THR 192 HB 0.00 0.15 0.37 -0.04 4.32 4.81 1lp3A1 THR 192 HG23 0.00 -0.07 -0.17 -0.04 1.22 0.94 1lp3A1 THR 193 H 0.00 0.09 0.15 -0.55 8.28 7.97 1lp3A1 THR 193 HA 0.01 0.37 0.84 -0.75 4.39 4.85 1lp3A1 THR 193 HB 0.01 -0.08 -0.04 -0.04 4.32 4.17 1lp3A1 THR 193 HG23 0.00 -0.00 -0.05 -0.04 1.22 1.13 1lp3A1 THR 194 H 0.02 -0.04 0.11 -0.55 8.28 7.81 1lp3A1 THR 194 HA 0.01 0.08 0.72 -0.75 4.39 4.45 1lp3A1 THR 194 HB 0.01 0.01 0.00 -0.04 4.32 4.29 1lp3A1 THR 194 HG23 0.00 0.05 0.00 -0.04 1.22 1.24 1lp3A1 ILE 195 H 0.02 0.16 0.10 -0.55 8.25 7.98 1lp3A1 ILE 195 HA 0.02 0.14 0.48 -0.75 4.18 4.07 1lp3A1 ILE 195 HB 0.03 0.02 0.05 -0.04 1.89 1.95 1lp3A1 ILE 195 HG12 0.12 -0.03 -0.09 -0.04 1.49 1.45 1lp3A1 ILE 195 HG13 0.05 -0.07 -0.03 -0.04 1.21 1.12 1lp3A1 ILE 195 HG23 0.03 -0.00 -0.26 -0.04 0.93 0.65 1lp3A1 ILE 195 HD13 0.12 0.02 -0.07 -0.04 0.88 0.91 1lp3A1 ALA 196 H -0.02 0.40 0.24 -0.55 8.40 8.47 1lp3A1 ALA 196 HA -0.02 0.09 0.65 -0.75 4.34 4.30 1lp3A1 ALA 196 HB3 -0.01 0.04 -0.03 -0.04 1.41 1.37 1lp3A1 ASN 197 H -0.03 0.12 0.15 -0.55 8.53 8.22 1lp3A1 ASN 197 HA -0.08 0.14 0.61 -0.75 4.76 4.68 1lp3A1 ASN 197 HB2 -0.03 -0.02 0.19 -0.04 2.88 2.98 1lp3A1 ASN 197 HB3 -0.04 -0.09 0.02 -0.04 2.79 2.65 1lp3A1 ASN 197 HD21 -0.03 0.04 -0.01 -0.04 7.03 6.98 1lp3A1 ASN 197 HD22 -0.03 -0.03 0.08 -0.04 7.74 7.71 1lp3A1 ASN 198 H -0.07 0.83 0.27 -0.55 8.53 9.01 1lp3A1 ASN 198 HA -0.03 0.15 0.88 -0.75 4.76 5.01 1lp3A1 ASN 198 HB2 -0.04 0.02 -0.10 -0.04 2.88 2.72 1lp3A1 ASN 198 HB3 -0.05 0.11 -0.05 -0.04 2.79 2.75 1lp3A1 ASN 198 HD21 -0.01 -0.04 0.02 -0.04 7.03 6.96 1lp3A1 ASN 198 HD22 -0.02 0.04 0.04 -0.04 7.74 7.76 1lp3A1 LEU 199 H -0.03 0.11 -0.59 -0.55 8.37 7.32 1lp3A1 LEU 199 HA -0.02 -0.00 0.35 -0.75 4.35 3.93 1lp3A1 LEU 199 HB2 -0.01 -0.05 0.05 -0.04 1.64 1.59 1lp3A1 LEU 199 HB3 -0.00 0.04 -0.00 -0.04 1.64 1.63 1lp3A1 LEU 199 HG -0.02 -0.04 0.05 -0.04 1.64 1.59 1lp3A1 LEU 199 HD13 -0.01 0.01 0.02 -0.04 0.93 0.91 1lp3A1 LEU 199 HD23 -0.00 0.00 0.02 -0.04 0.89 0.87 1lp3A1 THR 200 H -0.01 -0.04 -0.11 -0.55 8.28 7.57 1lp3A1 THR 200 HA 0.00 -0.01 0.46 -0.75 4.39 4.09 1lp3A1 THR 200 HB 0.00 0.01 0.04 -0.04 4.32 4.33 1lp3A1 THR 200 HG23 -0.00 -0.02 0.05 -0.04 1.22 1.21 1lp3A1 SER 201 H -0.01 -0.01 0.03 -0.55 8.46 7.93 1lp3A1 SER 201 HA -0.01 -0.08 0.26 -0.75 4.49 3.92 1lp3A1 SER 201 HB2 -0.01 -0.10 0.09 -0.04 3.95 3.89 1lp3A1 SER 201 HB3 -0.02 0.02 -0.06 -0.04 3.93 3.83 1lp3A1 THR 202 H -0.00 0.08 0.16 -0.55 8.28 7.97 1lp3A1 THR 202 HA 0.02 0.27 1.23 -0.75 4.39 5.15 1lp3A1 THR 202 HB 0.03 0.09 0.02 -0.04 4.32 4.43 1lp3A1 THR 202 HG23 0.03 0.02 -0.17 -0.04 1.22 1.06 1lp3A1 VAL 203 H 0.04 0.66 0.36 -0.55 8.24 8.75 1lp3A1 VAL 203 HA -0.01 0.15 1.02 -0.75 4.13 4.53 1lp3A1 VAL 203 HB 0.10 -0.01 0.06 -0.04 2.12 2.23 1lp3A1 VAL 203 HG13 0.12 -0.01 -0.18 -0.04 0.97 0.86 1lp3A1 VAL 203 HG23 0.09 0.00 -0.15 -0.04 0.95 0.85 1lp3A1 GLN 204 H -0.08 0.51 0.36 -0.55 8.47 8.72 1lp3A1 GLN 204 HA 0.06 0.19 1.32 -0.75 4.36 5.18 1lp3A1 GLN 204 HB2 0.17 0.07 -0.11 -0.04 2.15 2.24 1lp3A1 GLN 204 HB3 0.07 -0.05 -0.07 -0.04 2.02 1.92 1lp3A1 GLN 204 HG2 -0.14 0.04 0.17 -0.04 2.40 2.43 1lp3A1 GLN 204 HG3 0.00 -0.03 -0.09 -0.04 2.39 2.23 1lp3A1 GLN 204 HE21 0.13 0.00 -0.07 -0.04 6.97 6.99 1lp3A1 GLN 204 HE22 0.25 0.01 -0.12 -0.04 7.69 7.79 1lp3A1 VAL 205 H 0.04 0.64 0.40 -0.55 8.24 8.77 1lp3A1 VAL 205 HA 0.10 0.33 1.12 -0.75 4.13 4.93 1lp3A1 VAL 205 HB -0.63 -0.04 -0.04 -0.04 2.12 1.36 1lp3A1 VAL 205 HG13 -0.45 -0.00 -0.03 -0.04 0.97 0.45 1lp3A1 VAL 205 HG23 -0.05 -0.00 -0.12 -0.04 0.95 0.74 1lp3A1 PHE 206 H -0.19 0.55 0.28 -0.55 8.34 8.43 1lp3A1 PHE 206 HA -0.17 0.06 0.54 -0.75 4.62 4.30 1lp3A1 PHE 206 HB2 -0.03 0.14 -0.01 -0.04 3.15 3.21 1lp3A1 PHE 206 HB3 0.04 -0.02 -0.48 -0.04 3.06 2.56 1lp3A1 PHE 206 HD2 -0.32 0.08 -0.43 -0.04 7.28 6.57 1lp3A1 PHE 206 HE2 -1.07 -0.04 -0.25 -0.04 7.38 5.98 1lp3A1 PHE 206 HZ -1.36 -0.03 -0.19 -0.04 7.32 5.69 1lp3A1 THR 207 H 0.10 0.24 0.17 -0.55 8.28 8.24 1lp3A1 THR 207 HA -0.35 0.29 1.05 -0.75 4.39 4.62 1lp3A1 THR 207 HB -0.19 0.05 -0.01 -0.04 4.32 4.13 1lp3A1 THR 207 HG23 -0.04 -0.00 0.12 -0.04 1.22 1.25 1lp3A1 ASP 208 H -0.31 0.67 0.16 -0.55 8.40 8.37 1lp3A1 ASP 208 HA 0.08 0.14 0.50 -0.75 4.63 4.60 1lp3A1 ASP 208 HB2 -0.19 0.04 0.03 -0.04 2.71 2.54 1lp3A1 ASP 208 HB3 -0.34 0.12 0.08 -0.04 2.70 2.51 1lp3A1 SER 209 H -0.18 0.34 -0.82 -0.55 8.46 7.25 1lp3A1 SER 209 HA -0.44 0.05 0.30 -0.75 4.49 3.64 1lp3A1 SER 209 HB2 -0.18 0.03 0.08 -0.04 3.95 3.85 1lp3A1 SER 209 HB3 -0.27 0.01 0.06 -0.04 3.93 3.68 1lp3A1 GLU 210 H -0.10 0.03 -0.63 -0.55 8.60 7.35 1lp3A1 GLU 210 HA 0.04 0.27 1.01 -0.75 4.29 4.86 1lp3A1 GLU 210 HB2 0.02 -0.05 -0.00 -0.04 2.09 2.01 1lp3A1 GLU 210 HB3 0.04 -0.00 0.05 -0.04 1.99 2.03 1lp3A1 GLU 210 HG2 0.00 -0.00 0.04 -0.04 2.34 2.35 1lp3A1 GLU 210 HG3 -0.00 0.08 0.00 -0.04 2.34 2.38 1lp3A1 TYR 211 H -0.33 0.59 0.10 -0.55 8.29 8.09 1lp3A1 TYR 211 HA 0.01 -0.03 0.37 -0.75 4.56 4.16 1lp3A1 TYR 211 HB2 -0.02 0.13 -0.11 -0.04 3.06 3.01 1lp3A1 TYR 211 HB3 -0.03 0.01 0.15 -0.04 2.98 3.07 1lp3A1 TYR 211 HD2 -0.05 -0.03 -0.20 -0.04 7.15 6.83 1lp3A1 TYR 211 HE2 -0.06 0.10 -0.12 -0.04 6.85 6.72 1lp3A1 GLN 212 H 0.05 0.02 -0.23 -0.55 8.47 7.77 1lp3A1 GLN 212 HA 0.00 0.22 0.69 -0.75 4.36 4.51 1lp3A1 GLN 212 HB2 0.22 -0.06 -0.03 -0.04 2.15 2.23 1lp3A1 GLN 212 HB3 0.07 -0.01 0.10 -0.04 2.02 2.13 1lp3A1 GLN 212 HG2 0.01 0.00 -0.02 -0.04 2.40 2.36 1lp3A1 GLN 212 HG3 0.05 0.22 -0.24 -0.04 2.39 2.37 1lp3A1 GLN 212 HE21 -0.10 -0.01 -0.01 -0.04 6.97 6.80 1lp3A1 GLN 212 HE22 -0.06 -0.00 -0.01 -0.04 7.69 7.58 1lp3A1 LEU 213 H -0.05 0.03 -0.33 -0.55 8.37 7.47 1lp3A1 LEU 213 HA -0.49 0.29 1.00 -0.75 4.35 4.40 1lp3A1 LEU 213 HB2 -0.24 -0.09 -0.04 -0.04 1.64 1.22 1lp3A1 LEU 213 HB3 -0.22 0.08 -0.17 -0.04 1.64 1.29 1lp3A1 LEU 213 HG -0.34 -0.07 -0.32 -0.04 1.64 0.87 1lp3A1 LEU 213 HD13 -0.65 -0.01 -0.17 -0.04 0.93 0.06 1lp3A1 LEU 213 HD23 -0.18 0.08 -0.14 -0.04 0.89 0.61 1lp3A1 PRO 214 HA -0.01 0.04 0.32 -0.51 4.44 4.28 1lp3A1 PRO 214 HB2 -0.03 -0.02 0.09 -0.04 2.28 2.29 1lp3A1 PRO 214 HB3 0.02 0.08 0.06 -0.04 2.02 2.14 1lp3A1 PRO 214 HG2 -0.63 -0.01 0.03 -0.04 2.03 1.37 1lp3A1 PRO 214 HG3 -0.26 0.08 0.05 -0.04 2.03 1.85 1lp3A1 PRO 214 HD2 -0.38 0.05 0.09 -0.04 3.68 3.40 1lp3A1 PRO 214 HD3 -1.10 0.23 0.17 -0.04 3.65 2.90 1lp3A1 TYR 215 H 0.18 0.12 0.18 -0.55 8.29 8.22 1lp3A1 TYR 215 HA 0.04 -0.07 0.50 -0.75 4.56 4.27 1lp3A1 TYR 215 HB2 0.08 0.05 0.16 -0.04 3.06 3.31 1lp3A1 TYR 215 HB3 0.07 0.04 0.15 -0.04 2.98 3.20 1lp3A1 TYR 215 HD2 0.11 0.04 -0.06 -0.04 7.15 7.19 1lp3A1 TYR 215 HE2 0.23 -0.02 -0.23 -0.04 6.85 6.78 1lp3A1 VAL 216 H -0.15 0.07 0.26 -0.55 8.24 7.87 1lp3A1 VAL 216 HA -0.02 0.19 0.82 -0.75 4.13 4.37 1lp3A1 VAL 216 HB -0.28 -0.12 0.14 -0.04 2.12 1.82 1lp3A1 VAL 216 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.74 1lp3A1 VAL 216 HG23 -0.16 0.06 0.09 -0.04 0.95 0.90 1lp3A1 LEU 217 H -0.41 0.01 0.05 -0.55 8.37 7.46 1lp3A1 LEU 217 HA -0.12 -0.01 0.31 -0.75 4.35 3.78 1lp3A1 LEU 217 HB2 -0.29 0.07 -0.17 -0.04 1.64 1.21 1lp3A1 LEU 217 HB3 -0.25 -0.06 0.07 -0.04 1.64 1.37 1lp3A1 LEU 217 HG -0.53 -0.15 0.13 -0.04 1.64 1.06 1lp3A1 LEU 217 HD13 -0.48 0.00 -0.07 -0.04 0.93 0.34 1lp3A1 LEU 217 HD23 -0.05 -0.00 -0.01 -0.04 0.89 0.80 1lp3A1 GLY 218 H -0.23 0.08 0.17 -0.55 8.43 7.91 1lp3A1 GLY 218 HA2 -0.18 0.14 0.53 -0.51 4.01 3.99 1lp3A1 GLY 218 HA3 0.02 0.14 0.75 -0.51 4.01 4.40 1lp3A1 SER 219 H -0.13 0.21 -0.46 -0.55 8.46 7.54 1lp3A1 SER 219 HA -0.14 0.18 0.65 -0.75 4.49 4.42 1lp3A1 SER 219 HB2 -0.28 0.13 0.10 -0.04 3.95 3.86 1lp3A1 SER 219 HB3 -0.59 -0.07 0.17 -0.04 3.93 3.40 1lp3A1 ALA 220 H -0.16 0.05 -0.62 -0.55 8.40 7.12 1lp3A1 ALA 220 HA -0.11 0.02 0.25 -0.75 4.34 3.75 1lp3A1 ALA 220 HB3 -0.11 0.05 -0.03 -0.04 1.41 1.28 1lp3A1 HIS 221 H -0.16 -0.13 -0.51 -0.55 8.41 7.06 1lp3A1 HIS 221 HA -0.01 0.14 0.43 -0.75 4.63 4.44 1lp3A1 HIS 221 HB2 0.02 -0.12 -0.16 -0.04 3.26 2.96 1lp3A1 HIS 221 HB3 0.03 0.01 -0.10 -0.04 3.20 3.10 1lp3A1 HIS 221 HD2 -0.05 -0.07 -0.17 -0.04 6.97 6.64 1lp3A1 HIS 221 HE1 -0.05 -0.02 -0.03 -0.04 7.75 7.61 1lp3A1 GLN 222 H 0.13 0.18 0.11 -0.55 8.47 8.34 1lp3A1 GLN 222 HA 0.06 0.15 0.97 -0.75 4.36 4.79 1lp3A1 GLN 222 HB2 0.06 0.01 -0.06 -0.04 2.15 2.12 1lp3A1 GLN 222 HB3 0.06 0.09 -0.04 -0.04 2.02 2.08 1lp3A1 GLN 222 HG2 0.06 0.01 0.12 -0.04 2.40 2.55 1lp3A1 GLN 222 HG3 0.04 -0.01 0.24 -0.04 2.39 2.63 1lp3A1 GLN 222 HE21 0.03 -0.01 0.00 -0.04 6.97 6.95 1lp3A1 GLN 222 HE22 0.03 0.01 0.03 -0.04 7.69 7.72 1lp3A1 GLY 223 H 0.04 -0.18 0.15 -0.55 8.43 7.89 1lp3A1 GLY 223 HA2 0.05 0.07 0.34 -0.51 4.01 3.97 1lp3A1 GLY 223 HA3 -0.01 0.04 0.42 -0.51 4.01 3.95 1lp3A1 CYS 224 H 0.03 -0.19 0.10 -0.55 8.50 7.88 1lp3A1 CYS 224 HA 0.00 0.23 0.47 -0.75 4.58 4.53 1lp3A1 CYS 224 HB2 0.06 0.16 -0.06 -0.04 2.97 3.09 1lp3A1 CYS 224 HB3 0.05 -0.18 0.13 -0.04 2.97 2.92 1lp3A1 LEU 225 H 0.03 -0.03 0.21 -0.55 8.37 8.04 1lp3A1 LEU 225 HA -0.55 0.16 0.40 -0.75 4.35 3.61 1lp3A1 LEU 225 HB2 -0.00 -0.16 0.15 -0.04 1.64 1.59 1lp3A1 LEU 225 HB3 -0.13 0.24 -0.04 -0.04 1.64 1.68 1lp3A1 LEU 225 HG 0.07 -0.10 -0.09 -0.04 1.64 1.48 1lp3A1 LEU 225 HD13 -0.12 0.02 -0.08 -0.04 0.93 0.71 1lp3A1 LEU 225 HD23 -0.50 0.02 -0.10 -0.04 0.89 0.26 1lp3A1 PRO 226 HA -0.03 0.01 0.42 -0.51 4.44 4.33 1lp3A1 PRO 226 HB2 -0.02 0.17 -0.10 -0.04 2.28 2.29 1lp3A1 PRO 226 HB3 0.05 -0.09 0.01 -0.04 2.02 1.94 1lp3A1 PRO 226 HG2 0.09 0.19 -0.19 -0.04 2.03 2.08 1lp3A1 PRO 226 HG3 0.01 -0.02 -0.11 -0.04 2.03 1.88 1lp3A1 PRO 226 HD2 -0.30 0.11 0.12 -0.04 3.68 3.57 1lp3A1 PRO 226 HD3 -0.81 0.16 0.11 -0.04 3.65 3.07 1lp3A1 PRO 227 HA -0.23 0.40 0.31 -0.51 4.44 4.41 1lp3A1 PRO 227 HB2 0.03 -0.09 -0.01 -0.04 2.28 2.16 1lp3A1 PRO 227 HB3 -0.52 0.01 0.05 -0.04 2.02 1.52 1lp3A1 PRO 227 HG2 -0.13 -0.04 0.04 -0.04 2.03 1.87 1lp3A1 PRO 227 HG3 -1.14 0.09 0.02 -0.04 2.03 0.96 1lp3A1 PRO 227 HD2 0.02 -0.08 0.16 -0.04 3.68 3.74 1lp3A1 PRO 227 HD3 -0.06 0.15 0.21 -0.04 3.65 3.91 1lp3A1 PHE 228 H 0.00 0.05 -0.11 -0.55 8.34 7.72 1lp3A1 PHE 228 HA -0.33 0.18 0.64 -0.75 4.62 4.36 1lp3A1 PHE 228 HB2 -1.22 -0.04 -0.01 -0.04 3.15 1.84 1lp3A1 PHE 228 HB3 -0.21 -0.01 0.07 -0.04 3.06 2.87 1lp3A1 PHE 228 HD2 -0.32 0.04 -0.08 -0.04 7.28 6.87 1lp3A1 PHE 228 HE2 -0.04 0.03 -0.05 -0.04 7.38 7.29 1lp3A1 PHE 228 HZ -0.02 0.01 -0.02 -0.04 7.32 7.25 1lp3A1 PRO 229 HA -0.07 0.21 0.36 -0.51 4.44 4.43 1lp3A1 PRO 229 HB2 -0.35 -0.21 0.17 -0.04 2.28 1.85 1lp3A1 PRO 229 HB3 0.09 0.08 0.10 -0.04 2.02 2.25 1lp3A1 PRO 229 HG2 -0.15 -0.02 0.11 -0.04 2.03 1.93 1lp3A1 PRO 229 HG3 -0.09 0.18 0.12 -0.04 2.03 2.20 1lp3A1 PRO 229 HD2 -0.96 -0.05 0.18 -0.04 3.68 2.80 1lp3A1 PRO 229 HD3 -0.27 0.35 0.34 -0.04 3.65 4.03 1lp3A1 ALA 230 H -0.84 0.05 -0.06 -0.55 8.40 7.00 1lp3A1 ALA 230 HA -0.07 0.02 0.30 -0.75 4.34 3.84 1lp3A1 ALA 230 HB3 0.04 -0.02 0.04 -0.04 1.41 1.43 1lp3A1 ASP 231 H -0.01 0.36 -0.64 -0.55 8.40 7.56 1lp3A1 ASP 231 HA 0.15 -0.08 0.50 -0.75 4.63 4.45 1lp3A1 ASP 231 HB2 0.11 0.27 0.11 -0.04 2.71 3.16 1lp3A1 ASP 231 HB3 0.14 0.04 -0.06 -0.04 2.70 2.79 1lp3A1 VAL 232 H 0.13 0.04 0.26 -0.55 8.24 8.11 1lp3A1 VAL 232 HA 0.21 0.26 0.77 -0.75 4.13 4.62 1lp3A1 VAL 232 HB 0.07 -0.08 0.15 -0.04 2.12 2.22 1lp3A1 VAL 232 HG13 0.02 -0.02 -0.25 -0.04 0.97 0.69 1lp3A1 VAL 232 HG23 0.06 -0.00 -0.00 -0.04 0.95 0.96 1lp3A1 PHE 233 H 0.25 0.47 0.35 -0.55 8.34 8.86 1lp3A1 PHE 233 HA 0.06 0.15 0.98 -0.75 4.62 5.06 1lp3A1 PHE 233 HB2 0.07 -0.01 0.07 -0.04 3.15 3.24 1lp3A1 PHE 233 HB3 0.09 0.03 -0.30 -0.04 3.06 2.85 1lp3A1 PHE 233 HD2 0.10 0.19 -0.08 -0.04 7.28 7.45 1lp3A1 PHE 233 HE2 0.14 0.01 -0.20 -0.04 7.38 7.30 1lp3A1 PHE 233 HZ 0.32 -0.08 -0.14 -0.04 7.32 7.37 1lp3A1 MET 234 H 0.17 0.16 0.18 -0.55 8.47 8.44 1lp3A1 MET 234 HA -0.13 0.18 0.98 -0.75 4.52 4.79 1lp3A1 MET 234 HB2 -0.02 -0.07 0.02 -0.04 2.15 2.04 1lp3A1 MET 234 HB3 0.04 -0.03 0.12 -0.04 2.03 2.12 1lp3A1 MET 234 HG2 0.02 0.22 -0.25 -0.04 2.63 2.57 1lp3A1 MET 234 HG3 -0.05 -0.01 0.06 -0.04 2.56 2.52 1lp3A1 MET 234 HE3 -0.09 -0.02 -0.03 -0.04 2.10 1.92 1lp3A1 VAL 235 H -0.13 0.47 0.36 -0.55 8.24 8.39 1lp3A1 VAL 235 HA -0.15 0.19 0.68 -0.75 4.13 4.09 1lp3A1 VAL 235 HB -0.20 -0.07 0.15 -0.04 2.12 1.95 1lp3A1 VAL 235 HG13 -0.54 0.12 -0.14 -0.04 0.97 0.38 1lp3A1 VAL 235 HG23 -0.66 -0.02 -0.08 -0.04 0.95 0.14 1lp3A1 PRO 236 HA -0.11 0.01 0.46 -0.51 4.44 4.29 1lp3A1 PRO 236 HB2 -1.07 -0.08 -0.09 -0.04 2.28 0.99 1lp3A1 PRO 236 HB3 -0.20 -0.00 0.06 -0.04 2.02 1.83 1lp3A1 PRO 236 HG2 -0.43 -0.02 0.02 -0.04 2.03 1.56 1lp3A1 PRO 236 HG3 -0.13 0.02 0.20 -0.04 2.03 2.08 1lp3A1 PRO 236 HD2 -0.58 0.45 0.34 -0.04 3.68 3.85 1lp3A1 PRO 236 HD3 -0.11 0.22 0.43 -0.04 3.65 4.15 1lp3A1 GLN 237 H -0.23 0.10 0.18 -0.55 8.47 7.98 1lp3A1 GLN 237 HA -0.35 0.22 1.14 -0.75 4.36 4.62 1lp3A1 GLN 237 HB2 -2.46 -0.02 0.04 -0.04 2.15 -0.32 1lp3A1 GLN 237 HB3 -0.64 -0.09 0.14 -0.04 2.02 1.38 1lp3A1 GLN 237 HG2 -0.23 -0.04 -0.47 -0.04 2.40 1.62 1lp3A1 GLN 237 HG3 -0.34 0.30 0.07 -0.04 2.39 2.38 1lp3A1 GLN 237 HE21 -0.10 -0.08 -0.03 -0.04 6.97 6.72 1lp3A1 GLN 237 HE22 -0.23 -0.01 -0.02 -0.04 7.69 7.38 1lp3A1 TYR 238 H 0.20 0.75 0.34 -0.55 8.29 9.03 1lp3A1 TYR 238 HA -0.08 0.04 0.61 -0.75 4.56 4.37 1lp3A1 TYR 238 HB2 0.07 -0.04 -0.12 -0.04 3.06 2.93 1lp3A1 TYR 238 HB3 0.08 -0.04 0.02 -0.04 2.98 2.99 1lp3A1 TYR 238 HD2 -0.21 -0.06 -0.13 -0.04 7.15 6.72 1lp3A1 TYR 238 HE2 -0.08 -0.03 -0.09 -0.04 6.85 6.61 1lp3A1 GLY 239 H -0.56 0.33 0.29 -0.55 8.43 7.95 1lp3A1 GLY 239 HA2 -0.29 0.07 0.71 -0.51 4.01 3.99 1lp3A1 GLY 239 HA3 -0.27 0.04 0.39 -0.51 4.01 3.66 1lp3A1 TYR 240 H -0.50 0.58 0.37 -0.55 8.29 8.18 1lp3A1 TYR 240 HA -0.19 0.17 0.67 -0.75 4.56 4.46 1lp3A1 TYR 240 HB2 -0.02 -0.01 0.13 -0.04 3.06 3.12 1lp3A1 TYR 240 HB3 -0.37 0.09 -0.16 -0.04 2.98 2.50 1lp3A1 TYR 240 HD2 0.02 0.03 -0.29 -0.04 7.15 6.87 1lp3A1 TYR 240 HE2 0.45 0.09 -0.04 -0.04 6.85 7.32 1lp3A1 LEU 241 H 0.21 0.21 0.18 -0.55 8.37 8.42 1lp3A1 LEU 241 HA 0.08 0.11 1.10 -0.75 4.35 4.89 1lp3A1 LEU 241 HB2 0.08 -0.02 0.10 -0.04 1.64 1.76 1lp3A1 LEU 241 HB3 0.10 0.14 0.02 -0.04 1.64 1.86 1lp3A1 LEU 241 HG -0.11 -0.08 -0.46 -0.04 1.64 0.95 1lp3A1 LEU 241 HD13 -0.08 0.01 -0.09 -0.04 0.93 0.73 1lp3A1 LEU 241 HD23 -0.19 0.01 -0.19 -0.04 0.89 0.48 1lp3A1 THR 242 H 0.28 0.50 0.42 -0.55 8.28 8.94 1lp3A1 THR 242 HA 0.26 0.22 1.17 -0.75 4.39 5.28 1lp3A1 THR 242 HB 0.31 0.09 0.25 -0.04 4.32 4.93 1lp3A1 THR 242 HG23 0.23 -0.12 0.28 -0.04 1.22 1.57 1lp3A1 LEU 243 H 0.17 -0.03 0.22 -0.55 8.37 8.18 1lp3A1 LEU 243 HA 0.11 0.14 0.48 -0.75 4.35 4.32 1lp3A1 LEU 243 HB2 0.05 -0.08 0.10 -0.04 1.64 1.67 1lp3A1 LEU 243 HB3 0.04 -0.01 0.07 -0.04 1.64 1.70 1lp3A1 LEU 243 HG 0.09 0.08 0.01 -0.04 1.64 1.78 1lp3A1 LEU 243 HD13 0.08 -0.05 -0.08 -0.04 0.93 0.84 1lp3A1 LEU 243 HD23 0.04 -0.00 -0.01 -0.04 0.89 0.87 1lp3A1 ASN 244 H 0.06 0.21 0.17 -0.55 8.53 8.42 1lp3A1 ASN 244 HA -0.05 0.02 0.46 -0.75 4.76 4.43 1lp3A1 ASN 244 HB2 0.07 0.33 -0.14 -0.04 2.88 3.09 1lp3A1 ASN 244 HB3 0.21 0.05 -0.26 -0.04 2.79 2.75 1lp3A1 ASN 244 HD21 0.15 0.00 -0.29 -0.04 7.03 6.85 1lp3A1 ASN 244 HD22 0.06 0.52 -0.24 -0.04 7.74 8.04 1lp3A1 ASN 245 H -0.07 0.54 -0.10 -0.55 8.53 8.36 1lp3A1 ASN 245 HA -0.01 0.11 0.80 -0.75 4.76 4.91 1lp3A1 ASN 245 HB2 -0.04 -0.06 -0.04 -0.04 2.88 2.70 1lp3A1 ASN 245 HB3 -0.06 0.02 0.13 -0.04 2.79 2.84 1lp3A1 ASN 245 HD21 -0.02 -0.02 -0.07 -0.04 7.03 6.88 1lp3A1 ASN 245 HD22 -0.05 -0.02 -0.09 -0.04 7.74 7.54 1lp3A1 GLY 246 H -0.01 0.25 -0.09 -0.55 8.43 8.04 1lp3A1 GLY 246 HA2 -0.19 0.10 0.27 -0.51 4.01 3.68 1lp3A1 GLY 246 HA3 -0.29 0.07 0.60 -0.51 4.01 3.87 1lp3A1 SER 247 H -0.75 0.19 0.10 -0.55 8.46 7.46 1lp3A1 SER 247 HA -0.19 0.02 0.42 -0.75 4.49 3.99 1lp3A1 SER 247 HB2 -0.12 0.04 0.09 -0.04 3.95 3.92 1lp3A1 SER 247 HB3 -0.22 0.03 -0.04 -0.04 3.93 3.65 1lp3A1 GLN 248 H -0.14 0.16 -0.90 -0.55 8.47 7.04 1lp3A1 GLN 248 HA -0.03 0.17 0.87 -0.75 4.36 4.61 1lp3A1 GLN 248 HB2 -0.09 -0.07 -0.06 -0.04 2.15 1.89 1lp3A1 GLN 248 HB3 -0.10 0.14 -0.01 -0.04 2.02 2.00 1lp3A1 GLN 248 HG2 -0.13 0.18 0.02 -0.04 2.40 2.43 1lp3A1 GLN 248 HG3 -0.08 -0.05 0.08 -0.04 2.39 2.30 1lp3A1 GLN 248 HE21 -0.04 -0.04 0.00 -0.04 6.97 6.85 1lp3A1 GLN 248 HE22 -0.06 -0.01 0.01 -0.04 7.69 7.59 1lp3A1 ALA 249 H -0.39 0.08 0.11 -0.55 8.40 7.65 1lp3A1 ALA 249 HA -0.67 0.24 0.56 -0.75 4.34 3.71 1lp3A1 ALA 249 HB3 -1.16 0.02 0.01 -0.04 1.41 0.23 1lp3A1 VAL 250 H -0.21 0.40 0.10 -0.55 8.24 7.99 1lp3A1 VAL 250 HA -0.09 0.18 0.79 -0.75 4.13 4.27 1lp3A1 VAL 250 HB -0.03 -0.08 -0.11 -0.04 2.12 1.86 1lp3A1 VAL 250 HG13 -0.02 -0.03 -0.07 -0.04 0.97 0.81 1lp3A1 VAL 250 HG23 -0.04 0.02 -0.26 -0.04 0.95 0.62 1lp3A1 GLY 251 H -0.04 0.14 0.08 -0.55 8.43 8.06 1lp3A1 GLY 251 HA2 -0.02 0.10 0.24 -0.51 4.01 3.82 1lp3A1 GLY 251 HA3 -0.01 0.02 0.31 -0.51 4.01 3.81 1lp3A1 ARG 252 H 0.00 0.02 -0.07 -0.55 8.46 7.86 1lp3A1 ARG 252 HA 0.02 0.05 0.36 -0.75 4.34 4.01 1lp3A1 ARG 252 HB2 0.02 -0.06 0.02 -0.04 1.90 1.85 1lp3A1 ARG 252 HB3 0.03 0.04 -0.01 -0.04 1.80 1.83 1lp3A1 ARG 252 HG2 0.01 0.03 0.05 -0.04 1.67 1.72 1lp3A1 ARG 252 HG3 0.01 -0.07 0.05 -0.04 1.67 1.62 1lp3A1 ARG 252 HD2 0.02 -0.01 -0.00 -0.04 3.22 3.19 1lp3A1 ARG 252 HD3 0.02 0.04 0.00 -0.04 3.22 3.24 1lp3A1 SER 253 H 0.03 0.11 -0.37 -0.55 8.46 7.68 1lp3A1 SER 253 HA 0.12 -0.13 0.47 -0.75 4.49 4.21 1lp3A1 SER 253 HB2 0.23 0.05 0.10 -0.04 3.95 4.29 1lp3A1 SER 253 HB3 0.09 -0.17 0.21 -0.04 3.93 4.02 1lp3A1 SER 254 H 0.15 0.03 0.26 -0.55 8.46 8.35 1lp3A1 SER 254 HA -0.00 0.20 0.84 -0.75 4.49 4.78 1lp3A1 SER 254 HB2 -0.35 -0.04 0.04 -0.04 3.95 3.56 1lp3A1 SER 254 HB3 -0.41 -0.02 0.07 -0.04 3.93 3.53 1lp3A1 PHE 255 H -0.08 0.21 0.07 -0.55 8.34 7.99 1lp3A1 PHE 255 HA 0.05 0.15 0.81 -0.75 4.62 4.88 1lp3A1 PHE 255 HB2 -0.14 0.04 -0.05 -0.04 3.15 2.96 1lp3A1 PHE 255 HB3 -0.08 -0.01 0.10 -0.04 3.06 3.03 1lp3A1 PHE 255 HD2 -0.22 0.02 -0.08 -0.04 7.28 6.96 1lp3A1 PHE 255 HE2 -0.08 0.01 -0.10 -0.04 7.38 7.16 1lp3A1 PHE 255 HZ -0.27 -0.03 -0.08 -0.04 7.32 6.89 1lp3A1 TYR 256 H 0.09 0.18 -0.04 -0.55 8.29 7.98 1lp3A1 TYR 256 HA -0.23 0.11 0.67 -0.75 4.56 4.36 1lp3A1 TYR 256 HB2 -0.15 -0.03 0.01 -0.04 3.06 2.85 1lp3A1 TYR 256 HB3 0.00 0.04 -0.11 -0.04 2.98 2.87 1lp3A1 TYR 256 HD2 -0.30 -0.00 -0.02 -0.04 7.15 6.79 1lp3A1 TYR 256 HE2 -0.04 0.01 -0.01 -0.04 6.85 6.76 1lp3A1 CYS 257 H -0.14 0.23 0.13 -0.55 8.50 8.18 1lp3A1 CYS 257 HA -0.05 0.20 0.89 -0.75 4.58 4.86 1lp3A1 CYS 257 HB2 -0.49 0.08 -0.00 -0.04 2.97 2.52 1lp3A1 CYS 257 HB3 -0.20 0.05 0.16 -0.04 2.97 2.95 1lp3A1 LEU 258 H 0.52 0.22 0.03 -0.55 8.37 8.59 1lp3A1 LEU 258 HA -0.03 0.12 0.21 -0.75 4.35 3.89 1lp3A1 LEU 258 HB2 0.03 -0.02 0.00 -0.04 1.64 1.62 1lp3A1 LEU 258 HB3 -1.69 0.05 -0.10 -0.04 1.64 -0.14 1lp3A1 LEU 258 HG -0.35 0.00 -0.10 -0.04 1.64 1.15 1lp3A1 LEU 258 HD13 -0.92 0.01 -0.14 -0.04 0.93 -0.15 1lp3A1 LEU 258 HD23 0.11 0.02 -0.20 -0.04 0.89 0.77 1lp3A1 GLU 259 H 0.28 0.06 -0.38 -0.55 8.60 8.01 1lp3A1 GLU 259 HA 0.33 0.16 0.63 -0.75 4.29 4.65 1lp3A1 GLU 259 HB2 0.18 -0.05 -0.01 -0.04 2.09 2.18 1lp3A1 GLU 259 HB3 0.13 0.04 -0.00 -0.04 1.99 2.11 1lp3A1 GLU 259 HG2 0.26 0.03 -0.00 -0.04 2.34 2.59 1lp3A1 GLU 259 HG3 0.40 0.04 0.00 -0.04 2.34 2.75 1lp3A1 TYR 260 H 0.22 0.31 -0.28 -0.55 8.29 7.98 1lp3A1 TYR 260 HA -0.12 0.10 0.56 -0.75 4.56 4.35 1lp3A1 TYR 260 HB2 -0.12 -0.09 0.14 -0.04 3.06 2.95 1lp3A1 TYR 260 HB3 -0.27 0.05 0.19 -0.04 2.98 2.90 1lp3A1 TYR 260 HD2 -0.27 0.00 0.04 -0.04 7.15 6.88 1lp3A1 TYR 260 HE2 -0.14 -0.02 -0.00 -0.04 6.85 6.65 1lp3A1 PHE 261 H -0.01 0.55 -0.86 -0.55 8.34 7.46 1lp3A1 PHE 261 HA -0.21 0.13 0.58 -0.75 4.62 4.37 1lp3A1 PHE 261 HB2 -1.06 0.11 -0.21 -0.04 3.15 1.94 1lp3A1 PHE 261 HB3 -1.13 0.00 -0.12 -0.04 3.06 1.77 1lp3A1 PHE 261 HD2 -0.29 -0.06 -0.32 -0.04 7.28 6.57 1lp3A1 PHE 261 HE2 -0.08 -0.08 -0.21 -0.04 7.38 6.97 1lp3A1 PHE 261 HZ -0.10 0.02 -0.21 -0.04 7.32 6.99 1lp3A1 PRO 262 HA -0.04 0.22 0.95 -0.51 4.44 5.06 1lp3A1 PRO 262 HB2 -0.01 -0.00 0.20 -0.04 2.28 2.42 1lp3A1 PRO 262 HB3 -0.02 0.04 0.08 -0.04 2.02 2.07 1lp3A1 PRO 262 HG2 -0.05 0.01 0.01 -0.04 2.03 1.96 1lp3A1 PRO 262 HG3 -0.08 0.06 -0.20 -0.04 2.03 1.77 1lp3A1 PRO 262 HD2 -0.06 0.08 0.12 -0.04 3.68 3.78 1lp3A1 PRO 262 HD3 -0.14 0.12 0.08 -0.04 3.65 3.66 1lp3A1 SER 263 H 0.03 0.25 -0.09 -0.55 8.46 8.10 1lp3A1 SER 263 HA 0.24 0.02 0.34 -0.75 4.49 4.34 1lp3A1 SER 263 HB2 0.30 0.00 -0.17 -0.04 3.95 4.04 1lp3A1 SER 263 HB3 0.65 -0.02 -0.18 -0.04 3.93 4.34 1lp3A1 GLN 264 H 0.13 0.76 0.48 -0.55 8.47 9.29 1lp3A1 GLN 264 HA 0.10 0.13 0.93 -0.75 4.36 4.76 1lp3A1 GLN 264 HB2 0.16 0.00 0.16 -0.04 2.15 2.43 1lp3A1 GLN 264 HB3 0.14 -0.00 0.22 -0.04 2.02 2.34 1lp3A1 GLN 264 HG2 0.10 -0.10 -0.09 -0.04 2.40 2.27 1lp3A1 GLN 264 HG3 0.13 0.07 -0.50 -0.04 2.39 2.05 1lp3A1 GLN 264 HE21 0.19 0.13 0.07 -0.04 6.97 7.32 1lp3A1 GLN 264 HE22 0.15 0.05 -0.11 -0.04 7.69 7.74 1lp3A1 MET 265 H 0.09 0.16 0.11 -0.55 8.47 8.28 1lp3A1 MET 265 HA 0.08 0.12 1.06 -0.75 4.52 5.02 1lp3A1 MET 265 HB2 0.06 -0.02 0.09 -0.04 2.15 2.24 1lp3A1 MET 265 HB3 0.05 0.03 -0.06 -0.04 2.03 2.01 1lp3A1 MET 265 HG2 0.09 -0.02 -0.32 -0.04 2.63 2.34 1lp3A1 MET 265 HG3 0.07 0.03 -0.03 -0.04 2.56 2.58 1lp3A1 MET 265 HE3 0.03 0.00 -0.05 -0.04 2.10 2.05 1lp3A1 LEU 266 H 0.08 0.67 0.45 -0.55 8.37 9.02 1lp3A1 LEU 266 HA 0.09 0.14 1.00 -0.75 4.35 4.82 1lp3A1 LEU 266 HB2 0.11 0.02 0.10 -0.04 1.64 1.84 1lp3A1 LEU 266 HB3 0.13 0.07 -0.02 -0.04 1.64 1.78 1lp3A1 LEU 266 HG 0.15 -0.02 -0.36 -0.04 1.64 1.37 1lp3A1 LEU 266 HD13 0.15 -0.02 -0.13 -0.04 0.93 0.89 1lp3A1 LEU 266 HD23 0.20 0.04 -0.47 -0.04 0.89 0.62 1lp3A1 ARG 267 H 0.07 0.15 0.22 -0.55 8.46 8.34 1lp3A1 ARG 267 HA 0.04 0.27 0.80 -0.75 4.34 4.69 1lp3A1 ARG 267 HB2 0.04 -0.08 -0.01 -0.04 1.90 1.82 1lp3A1 ARG 267 HB3 0.04 0.06 0.02 -0.04 1.80 1.89 1lp3A1 ARG 267 HG2 0.02 -0.10 0.19 -0.04 1.67 1.74 1lp3A1 ARG 267 HG3 0.02 0.47 0.21 -0.04 1.67 2.33 1lp3A1 ARG 267 HD2 0.03 -0.07 -0.00 -0.04 3.22 3.14 1lp3A1 ARG 267 HD3 0.02 -0.11 0.03 -0.04 3.22 3.12 1lp3A1 THR 268 H 0.03 0.25 0.18 -0.55 8.28 8.19 1lp3A1 THR 268 HA 0.05 0.12 0.51 -0.75 4.39 4.31 1lp3A1 THR 268 HB 0.02 -0.06 0.02 -0.04 4.32 4.26 1lp3A1 THR 268 HG23 0.03 0.08 0.21 -0.04 1.22 1.49 1lp3A1 GLY 269 H 0.06 0.10 0.28 -0.55 8.43 8.32 1lp3A1 GLY 269 HA2 0.06 -0.01 0.39 -0.51 4.01 3.94 1lp3A1 GLY 269 HA3 0.05 0.28 0.54 -0.51 4.01 4.36 1lp3A1 ASN 270 H 0.09 0.19 -0.19 -0.55 8.53 8.07 1lp3A1 ASN 270 HA 0.09 0.18 0.92 -0.75 4.76 5.21 1lp3A1 ASN 270 HB2 0.09 0.30 0.24 -0.04 2.88 3.47 1lp3A1 ASN 270 HB3 0.12 0.05 0.11 -0.04 2.79 3.04 1lp3A1 ASN 270 HD21 0.06 -0.08 0.11 -0.04 7.03 7.08 1lp3A1 ASN 270 HD22 0.08 0.15 0.33 -0.04 7.74 8.25 1lp3A1 ASN 271 H 0.13 0.48 0.21 -0.55 8.53 8.81 1lp3A1 ASN 271 HA 0.24 0.10 0.86 -0.75 4.76 5.20 1lp3A1 ASN 271 HB2 0.20 0.08 0.11 -0.04 2.88 3.23 1lp3A1 ASN 271 HB3 0.20 -0.12 -0.01 -0.04 2.79 2.81 1lp3A1 ASN 271 HD21 0.03 -0.05 -0.03 -0.04 7.03 6.94 1lp3A1 ASN 271 HD22 0.04 -0.03 -0.07 -0.04 7.74 7.63 1lp3A1 PHE 272 H 0.31 0.57 0.26 -0.55 8.34 8.92 1lp3A1 PHE 272 HA 0.13 0.19 0.92 -0.75 4.62 5.11 1lp3A1 PHE 272 HB2 0.14 0.06 -0.09 -0.04 3.15 3.23 1lp3A1 PHE 272 HB3 0.18 -0.08 0.13 -0.04 3.06 3.25 1lp3A1 PHE 272 HD2 0.25 -0.02 -0.02 -0.04 7.28 7.44 1lp3A1 PHE 272 HE2 0.09 -0.03 -0.10 -0.04 7.38 7.30 1lp3A1 PHE 272 HZ 0.02 -0.08 -0.09 -0.04 7.32 7.13 1lp3A1 THR 273 H -0.18 0.24 0.21 -0.55 8.28 7.99 1lp3A1 THR 273 HA -0.09 0.28 1.29 -0.75 4.39 5.12 1lp3A1 THR 273 HB -0.08 0.02 0.18 -0.04 4.32 4.39 1lp3A1 THR 273 HG23 -0.04 0.01 -0.01 -0.04 1.22 1.14 1lp3A1 PHE 274 H -0.15 0.69 0.43 -0.55 8.34 8.76 1lp3A1 PHE 274 HA -0.16 0.03 0.47 -0.75 4.62 4.20 1lp3A1 PHE 274 HB2 -0.17 0.01 0.19 -0.04 3.15 3.14 1lp3A1 PHE 274 HB3 -0.57 0.05 -0.41 -0.04 3.06 2.08 1lp3A1 PHE 274 HD2 -0.09 0.07 -0.28 -0.04 7.28 6.94 1lp3A1 PHE 274 HE2 -0.20 -0.00 -0.30 -0.04 7.38 6.83 1lp3A1 PHE 274 HZ -0.07 0.03 -0.19 -0.04 7.32 7.05 1lp3A1 SER 275 H 0.31 0.23 0.24 -0.55 8.46 8.70 1lp3A1 SER 275 HA -0.08 0.13 1.17 -0.75 4.49 4.95 1lp3A1 SER 275 HB2 -0.03 0.04 0.22 -0.04 3.95 4.14 1lp3A1 SER 275 HB3 0.01 -0.08 0.02 -0.04 3.93 3.84 1lp3A1 TYR 276 H 0.12 0.71 0.37 -0.55 8.29 8.94 1lp3A1 TYR 276 HA -0.00 0.18 0.90 -0.75 4.56 4.89 1lp3A1 TYR 276 HB2 0.23 0.02 -0.17 -0.04 3.06 3.10 1lp3A1 TYR 276 HB3 -0.09 -0.08 -0.05 -0.04 2.98 2.72 1lp3A1 TYR 276 HD2 -0.39 -0.09 -0.36 -0.04 7.15 6.27 1lp3A1 TYR 276 HE2 -0.95 0.04 -0.41 -0.04 6.85 5.49 1lp3A1 THR 277 H -0.97 0.29 0.16 -0.55 8.28 7.22 1lp3A1 THR 277 HA -0.04 0.05 1.14 -0.75 4.39 4.78 1lp3A1 THR 277 HB -0.25 -0.00 0.14 -0.04 4.32 4.16 1lp3A1 THR 277 HG23 -0.05 0.06 0.07 -0.04 1.22 1.26 1lp3A1 PHE 278 H 0.21 0.56 0.23 -0.55 8.34 8.78 1lp3A1 PHE 278 HA 0.16 0.05 0.46 -0.75 4.62 4.53 1lp3A1 PHE 278 HB2 -0.08 0.13 -0.04 -0.04 3.15 3.12 1lp3A1 PHE 278 HB3 -0.08 0.05 -0.02 -0.04 3.06 2.97 1lp3A1 PHE 278 HD2 -0.15 -0.00 -0.54 -0.04 7.28 6.55 1lp3A1 PHE 278 HE2 -0.55 -0.01 -0.26 -0.04 7.38 6.52 1lp3A1 PHE 278 HZ -0.63 0.00 -0.17 -0.04 7.32 6.49 1lp3A1 GLU 279 H 0.14 0.13 0.13 -0.55 8.60 8.45 1lp3A1 GLU 279 HA -0.00 0.13 0.88 -0.75 4.29 4.55 1lp3A1 GLU 279 HB2 0.01 0.01 0.07 -0.04 2.09 2.14 1lp3A1 GLU 279 HB3 -0.00 0.05 0.02 -0.04 1.99 2.02 1lp3A1 GLU 279 HG2 0.07 -0.04 0.13 -0.04 2.34 2.46 1lp3A1 GLU 279 HG3 0.02 0.12 -0.05 -0.04 2.34 2.38 1lp3A1 ASP 280 H -0.00 0.09 0.11 -0.55 8.40 8.05 1lp3A1 ASP 280 HA -0.01 -0.00 0.42 -0.75 4.63 4.28 1lp3A1 ASP 280 HB2 -0.02 -0.04 0.14 -0.04 2.71 2.75 1lp3A1 ASP 280 HB3 -0.04 0.03 -0.01 -0.04 2.70 2.65 1lp3A1 VAL 281 H -0.01 0.16 0.27 -0.55 8.24 8.10 1lp3A1 VAL 281 HA 0.02 0.16 0.86 -0.75 4.13 4.41 1lp3A1 VAL 281 HB 0.03 0.15 0.00 -0.04 2.12 2.26 1lp3A1 VAL 281 HG13 -0.00 0.01 -0.19 -0.04 0.97 0.74 1lp3A1 VAL 281 HG23 0.16 -0.00 0.10 -0.04 0.95 1.17 1lp3A1 PRO 282 HA -0.08 0.05 0.74 -0.51 4.44 4.65 1lp3A1 PRO 282 HB2 0.02 0.06 0.02 -0.04 2.28 2.34 1lp3A1 PRO 282 HB3 -0.04 0.01 0.07 -0.04 2.02 2.01 1lp3A1 PRO 282 HG2 -0.06 0.02 0.05 -0.04 2.03 2.00 1lp3A1 PRO 282 HG3 -0.05 0.02 -0.04 -0.04 2.03 1.92 1lp3A1 PRO 282 HD2 0.09 0.10 0.21 -0.04 3.68 4.04 1lp3A1 PRO 282 HD3 0.01 0.16 0.21 -0.04 3.65 3.99 1lp3A1 PHE 283 H -0.10 0.05 0.08 -0.55 8.34 7.82 1lp3A1 PHE 283 HA 0.15 0.12 0.18 -0.75 4.62 4.32 1lp3A1 PHE 283 HB2 0.06 -0.03 -0.02 -0.04 3.15 3.11 1lp3A1 PHE 283 HB3 0.09 -0.04 -0.14 -0.04 3.06 2.93 1lp3A1 PHE 283 HD2 0.10 0.04 -0.29 -0.04 7.28 7.09 1lp3A1 PHE 283 HE2 0.09 -0.00 -0.17 -0.04 7.38 7.26 1lp3A1 PHE 283 HZ 0.09 0.00 -0.16 -0.04 7.32 7.21 1lp3A1 HIS 284 H 0.08 0.52 0.37 -0.55 8.41 8.84 1lp3A1 HIS 284 HA -0.18 0.07 0.50 -0.75 4.63 4.27 1lp3A1 HIS 284 HB2 -0.73 0.06 0.09 -0.04 3.26 2.64 1lp3A1 HIS 284 HB3 -0.81 -0.04 0.15 -0.04 3.20 2.46 1lp3A1 HIS 284 HD2 0.01 -0.06 -0.35 -0.04 6.97 6.52 1lp3A1 HIS 284 HE1 -0.10 0.10 -0.09 -0.04 7.75 7.62 1lp3A1 SER 285 H -0.48 0.13 0.17 -0.55 8.46 7.73 1lp3A1 SER 285 HA -0.04 0.16 0.44 -0.75 4.49 4.30 1lp3A1 SER 285 HB2 -0.85 0.00 0.09 -0.04 3.95 3.15 1lp3A1 SER 285 HB3 -0.20 0.03 0.14 -0.04 3.93 3.86 1lp3A1 SER 286 H 0.10 0.49 0.20 -0.55 8.46 8.70 1lp3A1 SER 286 HA -0.07 -0.01 0.59 -0.75 4.49 4.25 1lp3A1 SER 286 HB2 0.10 0.10 0.19 -0.04 3.95 4.29 1lp3A1 SER 286 HB3 0.33 -0.09 -0.06 -0.04 3.93 4.07 1lp3A1 TYR 287 H -0.56 0.32 -0.30 -0.55 8.29 7.20 1lp3A1 TYR 287 HA 0.12 0.16 0.89 -0.75 4.56 4.98 1lp3A1 TYR 287 HB2 0.04 -0.04 -0.02 -0.04 3.06 3.00 1lp3A1 TYR 287 HB3 0.29 0.02 -0.20 -0.04 2.98 3.05 1lp3A1 TYR 287 HD2 -0.27 0.15 -0.24 -0.04 7.15 6.75 1lp3A1 TYR 287 HE2 -0.54 0.01 -0.11 -0.04 6.85 6.18 1lp3A1 ALA 288 H 0.16 0.76 0.31 -0.55 8.40 9.09 1lp3A1 ALA 288 HA -0.19 0.15 0.86 -0.75 4.34 4.39 1lp3A1 ALA 288 HB3 -0.00 0.01 -0.07 -0.04 1.41 1.30 1lp3A1 HIS 289 H 0.01 0.18 0.15 -0.55 8.41 8.20 1lp3A1 HIS 289 HA 0.08 0.40 0.68 -0.75 4.63 5.03 1lp3A1 HIS 289 HB2 0.00 -0.00 0.18 -0.04 3.26 3.41 1lp3A1 HIS 289 HB3 0.02 0.17 -0.03 -0.04 3.20 3.32 1lp3A1 HIS 289 HD2 0.03 0.08 -0.46 -0.04 6.97 6.57 1lp3A1 HIS 289 HE1 -0.05 0.00 -0.10 -0.04 7.75 7.56 1lp3A1 SER 290 H 0.15 0.37 0.16 -0.55 8.46 8.59 1lp3A1 SER 290 HA 0.09 0.13 0.70 -0.75 4.49 4.66 1lp3A1 SER 290 HB2 0.07 -0.02 -0.04 -0.04 3.95 3.92 1lp3A1 SER 290 HB3 0.09 0.01 0.00 -0.04 3.93 3.99 1lp3A1 GLN 291 H 0.04 -0.18 0.09 -0.55 8.47 7.87 1lp3A1 GLN 291 HA 0.02 0.21 0.77 -0.75 4.36 4.60 1lp3A1 GLN 291 HB2 -0.04 -0.14 0.06 -0.04 2.15 1.99 1lp3A1 GLN 291 HB3 -0.01 0.25 0.21 -0.04 2.02 2.43 1lp3A1 GLN 291 HG2 0.02 0.08 0.02 -0.04 2.40 2.47 1lp3A1 GLN 291 HG3 0.02 -0.21 0.01 -0.04 2.39 2.18 1lp3A1 GLN 291 HE21 0.01 0.04 0.05 -0.04 6.97 7.03 1lp3A1 GLN 291 HE22 0.01 0.04 0.04 -0.04 7.69 7.74 1lp3A1 SER 292 H -0.01 0.61 0.22 -0.55 8.46 8.74 1lp3A1 SER 292 HA -0.04 0.18 0.75 -0.75 4.49 4.63 1lp3A1 SER 292 HB2 0.01 0.05 0.11 -0.04 3.95 4.08 1lp3A1 SER 292 HB3 0.02 0.05 -0.10 -0.04 3.93 3.85 1lp3A1 LEU 293 H -0.02 0.47 0.19 -0.55 8.37 8.47 1lp3A1 LEU 293 HA 0.03 0.01 0.26 -0.75 4.35 3.90 1lp3A1 LEU 293 HB2 0.03 0.05 0.18 -0.04 1.64 1.86 1lp3A1 LEU 293 HB3 0.06 0.03 -0.02 -0.04 1.64 1.66 1lp3A1 LEU 293 HG 0.01 0.02 0.07 -0.04 1.64 1.71 1lp3A1 LEU 293 HD13 0.12 0.05 -0.22 -0.04 0.93 0.84 1lp3A1 LEU 293 HD23 0.12 -0.01 -0.06 -0.04 0.89 0.90 1lp3A1 ASP 294 H 0.01 0.09 -0.07 -0.55 8.40 7.88 1lp3A1 ASP 294 HA -0.00 0.06 0.43 -0.75 4.63 4.36 1lp3A1 ASP 294 HB2 -0.01 -0.01 -0.00 -0.04 2.71 2.64 1lp3A1 ASP 294 HB3 -0.01 0.05 0.09 -0.04 2.70 2.79 1lp3A1 ARG 295 H 0.00 0.04 -0.10 -0.55 8.46 7.85 1lp3A1 ARG 295 HA -0.00 -0.02 0.51 -0.75 4.34 4.07 1lp3A1 ARG 295 HB2 0.01 -0.01 0.23 -0.04 1.90 2.09 1lp3A1 ARG 295 HB3 0.01 -0.00 0.06 -0.04 1.80 1.82 1lp3A1 ARG 295 HG2 0.00 -0.02 0.05 -0.04 1.67 1.66 1lp3A1 ARG 295 HG3 0.01 -0.01 0.03 -0.04 1.67 1.65 1lp3A1 ARG 295 HD2 -0.00 -0.02 -0.03 -0.04 3.22 3.12 1lp3A1 ARG 295 HD3 -0.01 0.04 -0.03 -0.04 3.22 3.18 1lp3A1 LEU 296 H 0.00 0.02 0.34 -0.55 8.37 8.19 1lp3A1 LEU 296 HA 0.01 0.04 0.82 -0.75 4.35 4.46 1lp3A1 LEU 296 HB2 0.03 0.42 -0.30 -0.04 1.64 1.74 1lp3A1 LEU 296 HB3 0.04 -0.07 0.00 -0.04 1.64 1.58 1lp3A1 LEU 296 HG 0.00 -0.09 0.05 -0.04 1.64 1.56 1lp3A1 LEU 296 HD13 0.02 0.02 -0.21 -0.04 0.93 0.72 1lp3A1 LEU 296 HD23 0.06 -0.03 -0.09 -0.04 0.89 0.80 1lp3A1 MET 297 H 0.00 0.02 0.21 -0.55 8.47 8.15 1lp3A1 MET 297 HA 0.01 0.13 0.62 -0.75 4.52 4.52 1lp3A1 MET 297 HB2 -0.02 -0.00 0.08 -0.04 2.15 2.17 1lp3A1 MET 297 HB3 -0.02 0.04 0.13 -0.04 2.03 2.14 1lp3A1 MET 297 HG2 -0.04 0.04 0.03 -0.04 2.63 2.61 1lp3A1 MET 297 HG3 -0.02 0.09 0.16 -0.04 2.56 2.75 1lp3A1 MET 297 HE3 -0.01 0.00 0.21 -0.04 2.10 2.26 1lp3A1 ASN 298 H -0.00 0.14 0.11 -0.55 8.53 8.24 1lp3A1 ASN 298 HA 0.00 0.30 1.06 -0.75 4.76 5.37 1lp3A1 ASN 298 HB2 0.01 0.06 0.03 -0.04 2.88 2.94 1lp3A1 ASN 298 HB3 0.00 0.01 0.17 -0.04 2.79 2.93 1lp3A1 ASN 298 HD21 0.01 -0.03 -0.04 -0.04 7.03 6.93 1lp3A1 ASN 298 HD22 0.01 0.06 0.01 -0.04 7.74 7.78 1lp3A1 PRO 299 HA -0.01 0.04 0.28 -0.51 4.44 4.24 1lp3A1 PRO 299 HB2 0.00 -0.06 0.09 -0.04 2.28 2.27 1lp3A1 PRO 299 HB3 -0.00 0.01 0.04 -0.04 2.02 2.02 1lp3A1 PRO 299 HG2 0.00 0.04 0.07 -0.04 2.03 2.11 1lp3A1 PRO 299 HG3 -0.00 0.07 0.07 -0.04 2.03 2.13 1lp3A1 PRO 299 HD2 0.00 0.03 0.18 -0.04 3.68 3.86 1lp3A1 PRO 299 HD3 0.00 0.47 0.35 -0.04 3.65 4.43 1lp3A1 LEU 300 H 0.00 0.09 -0.13 -0.55 8.37 7.78 1lp3A1 LEU 300 HA 0.00 -0.00 0.36 -0.75 4.35 3.95 1lp3A1 LEU 300 HB2 0.00 0.01 0.01 -0.04 1.64 1.62 1lp3A1 LEU 300 HB3 0.00 0.01 0.03 -0.04 1.64 1.64 1lp3A1 LEU 300 HG 0.00 -0.06 0.08 -0.04 1.64 1.61 1lp3A1 LEU 300 HD13 0.00 0.01 0.01 -0.04 0.93 0.91 1lp3A1 LEU 300 HD23 0.00 0.00 0.02 -0.04 0.89 0.88 1lp3A1 ILE 301 H -0.00 0.26 -0.25 -0.55 8.25 7.71 1lp3A1 ILE 301 HA 0.00 0.17 1.25 -0.75 4.18 4.84 1lp3A1 ILE 301 HB 0.00 -0.01 0.05 -0.04 1.89 1.89 1lp3A1 ILE 301 HG12 0.01 -0.14 -0.13 -0.04 1.49 1.19 1lp3A1 ILE 301 HG13 0.01 -0.00 -0.03 -0.04 1.21 1.15 1lp3A1 ILE 301 HG23 0.02 0.09 -0.06 -0.04 0.93 0.94 1lp3A1 ILE 301 HD13 0.01 0.05 -0.17 -0.04 0.88 0.73 1lp3A1 ASP 302 H -0.00 0.07 0.23 -0.55 8.40 8.15 1lp3A1 ASP 302 HA -0.02 0.03 0.66 -0.75 4.63 4.54 1lp3A1 ASP 302 HB2 -0.02 0.16 0.01 -0.04 2.71 2.82 1lp3A1 ASP 302 HB3 -0.01 0.07 0.07 -0.04 2.70 2.78 1lp3A1 GLN 303 H -0.08 0.38 0.23 -0.55 8.47 8.45 1lp3A1 GLN 303 HA -0.15 0.07 0.45 -0.75 4.36 3.97 1lp3A1 GLN 303 HB2 -0.18 0.09 0.09 -0.04 2.15 2.11 1lp3A1 GLN 303 HB3 -0.35 -0.21 0.27 -0.04 2.02 1.69 1lp3A1 GLN 303 HG2 -0.14 0.03 0.09 -0.04 2.40 2.35 1lp3A1 GLN 303 HG3 -0.10 0.13 0.15 -0.04 2.39 2.53 1lp3A1 GLN 303 HE21 -0.11 0.35 0.20 -0.04 6.97 7.37 1lp3A1 GLN 303 HE22 -0.11 -0.01 0.08 -0.04 7.69 7.61 1lp3A1 TYR 304 H -0.71 -0.00 0.22 -0.55 8.29 7.25 1lp3A1 TYR 304 HA -0.16 0.24 0.86 -0.75 4.56 4.75 1lp3A1 TYR 304 HB2 -0.05 -0.02 0.10 -0.04 3.06 3.05 1lp3A1 TYR 304 HB3 -0.05 0.06 -0.02 -0.04 2.98 2.93 1lp3A1 TYR 304 HD2 -0.03 0.02 -0.18 -0.04 7.15 6.93 1lp3A1 TYR 304 HE2 -0.02 0.01 -0.01 -0.04 6.85 6.79 1lp3A1 LEU 305 H -0.41 -0.08 0.18 -0.55 8.37 7.51 1lp3A1 LEU 305 HA 0.05 0.11 0.70 -0.75 4.35 4.45 1lp3A1 LEU 305 HB2 -0.21 -0.07 0.18 -0.04 1.64 1.49 1lp3A1 LEU 305 HB3 -0.03 0.12 -0.05 -0.04 1.64 1.65 1lp3A1 LEU 305 HG 0.02 0.05 0.06 -0.04 1.64 1.73 1lp3A1 LEU 305 HD13 0.20 -0.02 -0.04 -0.04 0.93 1.03 1lp3A1 LEU 305 HD23 -0.18 -0.00 0.04 -0.04 0.89 0.71 1lp3A1 TYR 306 H 0.19 0.12 0.19 -0.55 8.29 8.23 1lp3A1 TYR 306 HA 0.13 0.20 0.93 -0.75 4.56 5.08 1lp3A1 TYR 306 HB2 -0.03 -0.05 0.04 -0.04 3.06 2.98 1lp3A1 TYR 306 HB3 0.06 0.02 -0.05 -0.04 2.98 2.96 1lp3A1 TYR 306 HD2 0.02 -0.08 -0.39 -0.04 7.15 6.66 1lp3A1 TYR 306 HE2 0.03 -0.02 -0.06 -0.04 6.85 6.75 1lp3A1 TYR 307 H 0.23 0.70 0.41 -0.55 8.29 9.08 1lp3A1 TYR 307 HA 0.18 0.18 0.80 -0.75 4.56 4.97 1lp3A1 TYR 307 HB2 0.07 0.03 0.10 -0.04 3.06 3.22 1lp3A1 TYR 307 HB3 0.05 0.04 -0.11 -0.04 2.98 2.92 1lp3A1 TYR 307 HD2 0.04 0.02 -0.11 -0.04 7.15 7.06 1lp3A1 TYR 307 HE2 0.02 0.00 -0.32 -0.04 6.85 6.52 1lp3A1 LEU 308 H 0.22 0.20 0.11 -0.55 8.37 8.35 1lp3A1 LEU 308 HA -0.36 0.06 0.54 -0.75 4.35 3.84 1lp3A1 LEU 308 HB2 0.05 -0.02 0.12 -0.04 1.64 1.76 1lp3A1 LEU 308 HB3 -0.02 0.03 0.17 -0.04 1.64 1.77 1lp3A1 LEU 308 HG -0.25 -0.03 -0.05 -0.04 1.64 1.26 1lp3A1 LEU 308 HD13 -0.13 -0.01 -0.14 -0.04 0.93 0.61 1lp3A1 LEU 308 HD23 -0.97 -0.02 -0.16 -0.04 0.89 -0.30 1lp3A1 SER 309 H -0.40 0.08 0.52 -0.55 8.46 8.12 1lp3A1 SER 309 HA -0.17 0.04 0.36 -0.75 4.49 3.97 1lp3A1 SER 309 HB2 -0.11 0.01 -0.11 -0.04 3.95 3.70 1lp3A1 SER 309 HB3 -0.24 -0.07 -0.01 -0.04 3.93 3.57 1lp3A1 ARG 310 H -0.21 0.39 0.20 -0.55 8.46 8.29 1lp3A1 ARG 310 HA -0.08 0.18 0.86 -0.75 4.34 4.55 1lp3A1 ARG 310 HB2 -0.09 0.01 0.06 -0.04 1.90 1.84 1lp3A1 ARG 310 HB3 -0.06 0.02 0.13 -0.04 1.80 1.84 1lp3A1 ARG 310 HG2 -0.04 0.19 -0.19 -0.04 1.67 1.59 1lp3A1 ARG 310 HG3 -0.05 -0.07 -0.21 -0.04 1.67 1.29 1lp3A1 ARG 310 HD2 -0.03 -0.02 0.02 -0.04 3.22 3.15 1lp3A1 ARG 310 HD3 -0.02 -0.02 -0.04 -0.04 3.22 3.11 1lp3A1 THR 311 H -0.07 0.06 0.16 -0.55 8.28 7.89 1lp3A1 THR 311 HA -0.13 0.17 0.91 -0.75 4.39 4.58 1lp3A1 THR 311 HB -0.05 -0.08 0.10 -0.04 4.32 4.25 1lp3A1 THR 311 HG23 -0.04 -0.02 -0.27 -0.04 1.22 0.84 1lp3A1 ASN 312 H -0.04 0.05 0.12 -0.55 8.53 8.10 1lp3A1 ASN 312 HA -0.03 -0.02 1.00 -0.75 4.76 4.95 1lp3A1 ASN 312 HB2 -0.02 -0.06 -0.16 -0.04 2.88 2.60 1lp3A1 ASN 312 HB3 -0.02 -0.01 -0.05 -0.04 2.79 2.66 1lp3A1 ASN 312 HD21 -0.02 0.04 -0.07 -0.04 7.03 6.94 1lp3A1 ASN 312 HD22 -0.02 0.01 -0.07 -0.04 7.74 7.62 1lp3A1 THR 313 H -0.02 0.30 0.07 -0.55 8.28 8.08 1lp3A1 THR 313 HA -0.02 0.11 0.64 -0.75 4.39 4.37 1lp3A1 THR 313 HB -0.03 0.02 -0.21 -0.04 4.32 4.06 1lp3A1 THR 313 HG23 -0.01 -0.01 -0.20 -0.04 1.22 0.95 1lp3A1 PRO 314 HA -0.01 0.01 0.21 -0.51 4.44 4.14 1lp3A1 PRO 314 HB2 -0.01 -0.00 0.07 -0.04 2.28 2.30 1lp3A1 PRO 314 HB3 -0.01 0.08 -0.01 -0.04 2.02 2.04 1lp3A1 PRO 314 HG2 -0.01 0.04 0.05 -0.04 2.03 2.07 1lp3A1 PRO 314 HG3 -0.01 0.03 0.02 -0.04 2.03 2.03 1lp3A1 PRO 314 HD2 -0.01 0.13 0.16 -0.04 3.68 3.92 1lp3A1 PRO 314 HD3 -0.02 0.14 0.19 -0.04 3.65 3.92 1lp3A1 SER 315 H -0.01 0.45 -0.14 -0.55 8.46 8.21 1lp3A1 SER 315 HA -0.01 0.07 0.73 -0.75 4.49 4.53 1lp3A1 SER 315 HB2 -0.01 0.02 -0.09 -0.04 3.95 3.83 1lp3A1 SER 315 HB3 -0.01 0.22 0.11 -0.04 3.93 4.21 1lp3A1 GLY 316 H -0.00 0.19 -0.13 -0.55 8.43 7.93 1lp3A1 GLY 316 HA2 -0.00 0.04 0.30 -0.51 4.01 3.83 1lp3A1 GLY 316 HA3 -0.00 0.00 0.47 -0.51 4.01 3.96 1lp3A1 THR 317 H -0.00 0.12 0.33 -0.55 8.28 8.18 1lp3A1 THR 317 HA -0.00 0.12 0.63 -0.75 4.39 4.38 1lp3A1 THR 317 HB -0.00 -0.03 0.19 -0.04 4.32 4.44 1lp3A1 THR 317 HG23 -0.00 -0.00 -0.18 -0.04 1.22 0.99 1lp3A1 THR 318 H -0.00 0.18 0.18 -0.55 8.28 8.09 1lp3A1 THR 318 HA -0.01 0.15 0.89 -0.75 4.39 4.67 1lp3A1 THR 318 HB -0.01 0.03 0.11 -0.04 4.32 4.42 1lp3A1 THR 318 HG23 -0.01 0.09 0.08 -0.04 1.22 1.35 1lp3A1 THR 319 H -0.01 0.10 0.13 -0.55 8.28 7.95 1lp3A1 THR 319 HA -0.01 0.17 0.42 -0.75 4.39 4.21 1lp3A1 THR 319 HB -0.01 0.02 -0.07 -0.04 4.32 4.22 1lp3A1 THR 319 HG23 -0.01 0.00 0.04 -0.04 1.22 1.21 1lp3A1 GLN 320 H -0.01 0.80 0.24 -0.55 8.47 8.95 1lp3A1 GLN 320 HA -0.01 0.05 0.71 -0.75 4.36 4.35 1lp3A1 GLN 320 HB2 -0.01 0.01 -0.07 -0.04 2.15 2.04 1lp3A1 GLN 320 HB3 -0.01 0.10 -0.02 -0.04 2.02 2.06 1lp3A1 GLN 320 HG2 -0.01 0.10 -0.13 -0.04 2.40 2.31 1lp3A1 GLN 320 HG3 -0.01 -0.05 -0.02 -0.04 2.39 2.27 1lp3A1 GLN 320 HE21 -0.01 -0.03 -0.06 -0.04 6.97 6.83 1lp3A1 GLN 320 HE22 -0.01 -0.00 -0.05 -0.04 7.69 7.58 1lp3A1 SER 321 H -0.01 0.12 0.08 -0.55 8.46 8.09 1lp3A1 SER 321 HA -0.03 -0.09 0.51 -0.75 4.49 4.14 1lp3A1 SER 321 HB2 -0.02 0.06 -0.02 -0.04 3.95 3.92 1lp3A1 SER 321 HB3 -0.02 -0.03 0.07 -0.04 3.93 3.91 1lp3A1 ARG 322 H -0.04 0.73 0.40 -0.55 8.46 9.00 1lp3A1 ARG 322 HA -0.02 -0.02 0.53 -0.75 4.34 4.08 1lp3A1 ARG 322 HB2 -0.02 0.10 -0.29 -0.04 1.90 1.65 1lp3A1 ARG 322 HB3 -0.03 -0.04 -0.08 -0.04 1.80 1.61 1lp3A1 ARG 322 HG2 -0.02 0.04 -0.23 -0.04 1.67 1.42 1lp3A1 ARG 322 HG3 -0.01 -0.02 -0.03 -0.04 1.67 1.57 1lp3A1 ARG 322 HD2 -0.01 0.02 -0.09 -0.04 3.22 3.09 1lp3A1 ARG 322 HD3 -0.02 -0.02 -0.11 -0.04 3.22 3.03 1lp3A1 LEU 323 H -0.05 0.04 0.10 -0.55 8.37 7.91 1lp3A1 LEU 323 HA -0.19 0.23 0.74 -0.75 4.35 4.38 1lp3A1 LEU 323 HB2 -0.44 -0.00 -0.02 -0.04 1.64 1.13 1lp3A1 LEU 323 HB3 -0.19 -0.02 0.17 -0.04 1.64 1.55 1lp3A1 LEU 323 HG -0.04 -0.06 0.15 -0.04 1.64 1.64 1lp3A1 LEU 323 HD13 0.09 -0.00 0.04 -0.04 0.93 1.02 1lp3A1 LEU 323 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.83 1lp3A1 GLN 324 H -0.28 0.60 0.38 -0.55 8.47 8.62 1lp3A1 GLN 324 HA -0.03 0.13 0.89 -0.75 4.36 4.59 1lp3A1 GLN 324 HB2 -0.11 -0.10 0.06 -0.04 2.15 1.95 1lp3A1 GLN 324 HB3 -0.04 -0.00 0.09 -0.04 2.02 2.03 1lp3A1 GLN 324 HG2 -0.03 -0.02 -0.18 -0.04 2.40 2.13 1lp3A1 GLN 324 HG3 -0.08 0.14 -0.49 -0.04 2.39 1.91 1lp3A1 GLN 324 HE21 -0.02 -0.04 -0.03 -0.04 6.97 6.83 1lp3A1 GLN 324 HE22 -0.02 -0.02 -0.06 -0.04 7.69 7.55 1lp3A1 PHE 325 H 0.26 0.20 0.20 -0.55 8.34 8.45 1lp3A1 PHE 325 HA -0.20 -0.17 1.26 -0.75 4.62 4.76 1lp3A1 PHE 325 HB2 -0.19 -0.03 -0.00 -0.04 3.15 2.89 1lp3A1 PHE 325 HB3 -0.08 0.16 -0.00 -0.04 3.06 3.10 1lp3A1 PHE 325 HD2 -0.07 -0.03 -0.22 -0.04 7.28 6.92 1lp3A1 PHE 325 HE2 -0.04 0.06 -0.11 -0.04 7.38 7.25 1lp3A1 PHE 325 HZ -0.03 -0.00 -0.10 -0.04 7.32 7.15 1lp3A1 SER 326 H -0.36 0.59 0.41 -0.55 8.46 8.55 1lp3A1 SER 326 HA 0.19 0.24 1.01 -0.75 4.49 5.17 1lp3A1 SER 326 HB2 -0.34 0.01 -0.05 -0.04 3.95 3.52 1lp3A1 SER 326 HB3 0.08 -0.02 0.01 -0.04 3.93 3.96 1lp3A1 GLN 327 H 0.16 0.19 0.08 -0.55 8.47 8.35 1lp3A1 GLN 327 HA -0.11 0.23 0.74 -0.75 4.36 4.46 1lp3A1 GLN 327 HB2 -0.14 -0.06 0.01 -0.04 2.15 1.92 1lp3A1 GLN 327 HB3 -0.06 -0.02 0.08 -0.04 2.02 1.98 1lp3A1 GLN 327 HG2 -0.24 0.16 -0.36 -0.04 2.40 1.92 1lp3A1 GLN 327 HG3 -0.83 0.04 -0.44 -0.04 2.39 1.12 1lp3A1 GLN 327 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.90 1lp3A1 GLN 327 HE22 -0.04 -0.08 -0.01 -0.04 7.69 7.53 1lp3A1 ALA 328 H 0.21 0.24 0.06 -0.55 8.40 8.36 1lp3A1 ALA 328 HA 0.12 -0.09 0.17 -0.75 4.34 3.79 1lp3A1 ALA 328 HB3 -0.18 0.04 -0.07 -0.04 1.41 1.16 1lp3A1 GLY 329 H 0.02 -0.04 0.10 -0.55 8.43 7.96 1lp3A1 GLY 329 HA2 -0.02 0.27 0.88 -0.51 4.01 4.63 1lp3A1 GLY 329 HA3 0.01 -0.00 0.41 -0.51 4.01 3.92 1lp3A1 ALA 330 H -0.00 0.22 0.14 -0.55 8.40 8.21 1lp3A1 ALA 330 HA -0.01 0.15 0.45 -0.75 4.34 4.17 1lp3A1 ALA 330 HB3 -0.00 0.07 0.11 -0.04 1.41 1.55 1lp3A1 SER 331 H 0.01 0.11 0.03 -0.55 8.46 8.06 1lp3A1 SER 331 HA 0.00 0.11 0.40 -0.75 4.49 4.25 1lp3A1 SER 331 HB2 0.02 0.06 0.01 -0.04 3.95 4.00 1lp3A1 SER 331 HB3 0.01 0.03 0.10 -0.04 3.93 4.03 1lp3A1 ASP 332 H 0.01 -0.06 -0.64 -0.55 8.40 7.16 1lp3A1 ASP 332 HA 0.01 0.16 0.52 -0.75 4.63 4.57 1lp3A1 ASP 332 HB2 0.02 -0.39 0.05 -0.04 2.71 2.35 1lp3A1 ASP 332 HB3 -0.07 0.08 -0.18 -0.04 2.70 2.49 1lp3A1 ILE 333 H -0.03 0.36 -0.23 -0.55 8.25 7.79 1lp3A1 ILE 333 HA -0.07 0.03 0.35 -0.75 4.18 3.74 1lp3A1 ILE 333 HB -0.03 0.01 -0.02 -0.04 1.89 1.81 1lp3A1 ILE 333 HG12 -0.03 0.05 0.24 -0.04 1.49 1.71 1lp3A1 ILE 333 HG13 -0.02 -0.04 0.07 -0.04 1.21 1.19 1lp3A1 ILE 333 HG23 -0.03 0.01 -0.25 -0.04 0.93 0.61 1lp3A1 ILE 333 HD13 -0.03 -0.02 -0.04 -0.04 0.88 0.75 1lp3A1 ARG 334 H -0.05 0.11 -0.09 -0.55 8.46 7.88 1lp3A1 ARG 334 HA -0.05 0.01 0.37 -0.75 4.34 3.91 1lp3A1 ARG 334 HB2 -0.04 0.00 0.11 -0.04 1.90 1.93 1lp3A1 ARG 334 HB3 -0.03 -0.05 0.13 -0.04 1.80 1.81 1lp3A1 ARG 334 HG2 -0.04 0.05 0.08 -0.04 1.67 1.72 1lp3A1 ARG 334 HG3 -0.07 0.07 -0.10 -0.04 1.67 1.53 1lp3A1 ARG 334 HD2 -0.02 -0.00 -0.01 -0.04 3.22 3.14 1lp3A1 ARG 334 HD3 -0.01 -0.03 0.02 -0.04 3.22 3.15 1lp3A1 ASP 335 H -0.17 0.64 -0.34 -0.55 8.40 7.99 1lp3A1 ASP 335 HA -0.22 0.10 0.27 -0.75 4.63 4.02 1lp3A1 ASP 335 HB2 -0.74 -0.09 -0.09 -0.04 2.71 1.75 1lp3A1 ASP 335 HB3 -1.31 -0.08 -0.00 -0.04 2.70 1.26 1lp3A1 GLN 336 H -0.18 0.72 -0.24 -0.55 8.47 8.23 1lp3A1 GLN 336 HA -0.20 -0.16 0.27 -0.75 4.36 3.52 1lp3A1 GLN 336 HB2 -0.09 0.15 0.05 -0.04 2.15 2.22 1lp3A1 GLN 336 HB3 -0.09 0.08 -0.00 -0.04 2.02 1.96 1lp3A1 GLN 336 HG2 -0.11 -0.18 -0.10 -0.04 2.40 1.98 1lp3A1 GLN 336 HG3 -0.08 -0.04 0.04 -0.04 2.39 2.26 1lp3A1 GLN 336 HE21 -0.05 0.08 -0.13 -0.04 6.97 6.84 1lp3A1 GLN 336 HE22 -0.05 -0.02 -0.32 -0.04 7.69 7.26 1lp3A1 SER 337 H -0.11 -0.02 0.19 -0.55 8.46 7.97 1lp3A1 SER 337 HA -0.07 0.12 0.64 -0.75 4.49 4.42 1lp3A1 SER 337 HB2 -0.11 -0.07 0.09 -0.04 3.95 3.82 1lp3A1 SER 337 HB3 -0.07 0.04 0.09 -0.04 3.93 3.95 1lp3A1 ARG 338 H -0.08 0.10 0.13 -0.55 8.46 8.06 1lp3A1 ARG 338 HA -0.09 0.19 0.89 -0.75 4.34 4.57 1lp3A1 ARG 338 HB2 -0.04 0.04 0.08 -0.04 1.90 1.93 1lp3A1 ARG 338 HB3 -0.03 -0.13 0.21 -0.04 1.80 1.81 1lp3A1 ARG 338 HG2 -0.04 0.05 -0.23 -0.04 1.67 1.41 1lp3A1 ARG 338 HG3 -0.06 0.06 -0.63 -0.04 1.67 1.00 1lp3A1 ARG 338 HD2 -0.03 0.00 -0.04 -0.04 3.22 3.12 1lp3A1 ARG 338 HD3 0.01 0.01 -0.04 -0.04 3.22 3.16 1lp3A1 ASN 339 H -0.16 0.03 0.23 -0.55 8.53 8.08 1lp3A1 ASN 339 HA -0.44 0.15 0.80 -0.75 4.76 4.52 1lp3A1 ASN 339 HB2 -0.42 -0.05 -0.23 -0.04 2.88 2.14 1lp3A1 ASN 339 HB3 -1.63 0.02 -0.02 -0.04 2.79 1.13 1lp3A1 ASN 339 HD21 -0.20 -0.05 -0.01 -0.04 7.03 6.74 1lp3A1 ASN 339 HD22 -0.19 -0.02 -0.08 -0.04 7.74 7.41 1lp3A1 TRP 340 H -0.02 0.03 0.24 -0.55 7.97 7.67 1lp3A1 TRP 340 HA 0.04 0.19 0.89 -0.75 4.62 4.99 1lp3A1 TRP 340 HB2 0.02 -0.04 -0.08 -0.04 3.23 3.08 1lp3A1 TRP 340 HB3 0.04 0.26 0.11 -0.04 3.23 3.60 1lp3A1 TRP 340 HD1 -0.01 0.01 -0.07 -0.04 7.22 7.11 1lp3A1 TRP 340 HE1 -0.01 -0.02 -0.07 -0.04 10.20 10.06 1lp3A1 TRP 340 HE3 0.04 0.10 0.16 -0.04 7.59 7.85 1lp3A1 TRP 340 HZ2 -0.00 -0.05 -0.03 -0.04 7.44 7.32 1lp3A1 TRP 340 HZ3 0.03 -0.07 0.05 -0.04 7.13 7.10 1lp3A1 TRP 340 HH2 0.01 -0.06 0.01 -0.04 7.19 7.11 1lp3A1 LEU 341 H 0.32 0.49 -0.05 -0.55 8.37 8.57 1lp3A1 LEU 341 HA 0.15 0.16 0.99 -0.75 4.35 4.89 1lp3A1 LEU 341 HB2 0.22 -0.03 -0.15 -0.04 1.64 1.64 1lp3A1 LEU 341 HB3 0.26 0.13 -0.03 -0.04 1.64 1.96 1lp3A1 LEU 341 HG 0.12 -0.01 -0.10 -0.04 1.64 1.61 1lp3A1 LEU 341 HD13 0.10 0.01 -0.57 -0.04 0.93 0.44 1lp3A1 LEU 341 HD23 0.14 0.01 -0.12 -0.04 0.89 0.88 1lp3A1 PRO 342 HA 0.16 0.21 0.61 -0.51 4.44 4.91 1lp3A1 PRO 342 HB2 0.07 0.11 0.02 -0.04 2.28 2.44 1lp3A1 PRO 342 HB3 0.04 0.05 0.05 -0.04 2.02 2.12 1lp3A1 PRO 342 HG2 -0.25 0.02 0.08 -0.04 2.03 1.84 1lp3A1 PRO 342 HG3 -0.02 -0.03 0.12 -0.04 2.03 2.05 1lp3A1 PRO 342 HD2 0.06 0.09 0.13 -0.04 3.68 3.92 1lp3A1 PRO 342 HD3 0.03 0.05 0.26 -0.04 3.65 3.94 1lp3A1 GLY 343 H 0.24 0.41 0.48 -0.55 8.43 9.02 1lp3A1 GLY 343 HA2 0.22 -0.08 0.32 -0.51 4.01 3.96 1lp3A1 GLY 343 HA3 0.18 -0.03 0.38 -0.51 4.01 4.03 1lp3A1 PRO 344 HA -0.27 0.09 0.42 -0.51 4.44 4.17 1lp3A1 PRO 344 HB2 -0.22 0.12 0.17 -0.04 2.28 2.30 1lp3A1 PRO 344 HB3 -0.28 -0.10 -0.04 -0.04 2.02 1.55 1lp3A1 PRO 344 HG2 -0.35 0.06 -0.08 -0.04 2.03 1.62 1lp3A1 PRO 344 HG3 -0.55 -0.04 0.04 -0.04 2.03 1.43 1lp3A1 PRO 344 HD2 -0.50 0.13 0.11 -0.04 3.68 3.38 1lp3A1 PRO 344 HD3 -0.75 0.05 0.14 -0.04 3.65 3.05 1lp3A1 CYS 345 H -0.14 0.44 0.29 -0.55 8.50 8.54 1lp3A1 CYS 345 HA 0.02 0.19 0.43 -0.75 4.58 4.48 1lp3A1 CYS 345 HB2 0.09 0.06 -0.05 -0.04 2.97 3.03 1lp3A1 CYS 345 HB3 0.17 0.12 -0.37 -0.04 2.97 2.84 1lp3A1 TYR 346 H 0.10 0.23 -0.05 -0.55 8.29 8.02 1lp3A1 TYR 346 HA -0.03 0.07 0.70 -0.75 4.56 4.54 1lp3A1 TYR 346 HB2 -0.04 -0.02 -0.23 -0.04 3.06 2.73 1lp3A1 TYR 346 HB3 -0.02 0.03 0.16 -0.04 2.98 3.11 1lp3A1 TYR 346 HD2 -0.03 0.01 0.03 -0.04 7.15 7.13 1lp3A1 TYR 346 HE2 -0.01 -0.02 -0.06 -0.04 6.85 6.73 1lp3A1 ARG 347 H -0.06 0.42 0.17 -0.55 8.46 8.44 1lp3A1 ARG 347 HA -0.02 0.23 0.40 -0.75 4.34 4.20 1lp3A1 ARG 347 HB2 -0.06 -0.03 0.17 -0.04 1.90 1.94 1lp3A1 ARG 347 HB3 -0.14 -0.09 0.06 -0.04 1.80 1.60 1lp3A1 ARG 347 HG2 -0.08 -0.11 -0.11 -0.04 1.67 1.33 1lp3A1 ARG 347 HG3 -0.05 0.18 -0.08 -0.04 1.67 1.67 1lp3A1 ARG 347 HD2 -0.03 0.08 -0.41 -0.04 3.22 2.83 1lp3A1 ARG 347 HD3 -0.04 -0.18 -0.05 -0.04 3.22 2.92 1lp3A1 GLN 348 H -0.02 0.44 0.14 -0.55 8.47 8.49 1lp3A1 GLN 348 HA -0.04 0.17 1.04 -0.75 4.36 4.78 1lp3A1 GLN 348 HB2 0.01 -0.04 -0.09 -0.04 2.15 2.00 1lp3A1 GLN 348 HB3 0.01 -0.26 0.20 -0.04 2.02 1.93 1lp3A1 GLN 348 HG2 0.04 0.22 -0.15 -0.04 2.40 2.47 1lp3A1 GLN 348 HG3 0.05 -0.05 -0.01 -0.04 2.39 2.34 1lp3A1 GLN 348 HE21 0.07 0.23 -0.02 -0.04 6.97 7.21 1lp3A1 GLN 348 HE22 0.11 0.11 -0.02 -0.04 7.69 7.84 1lp3A1 GLN 349 H -0.03 0.07 0.23 -0.55 8.47 8.19 1lp3A1 GLN 349 HA -0.05 0.14 0.74 -0.75 4.36 4.43 1lp3A1 GLN 349 HB2 -0.00 -0.00 0.13 -0.04 2.15 2.23 1lp3A1 GLN 349 HB3 0.03 0.02 -0.08 -0.04 2.02 1.95 1lp3A1 GLN 349 HG2 -0.03 0.06 0.04 -0.04 2.40 2.43 1lp3A1 GLN 349 HG3 0.03 0.01 0.01 -0.04 2.39 2.40 1lp3A1 GLN 349 HE21 -0.10 -0.03 0.04 -0.04 6.97 6.84 1lp3A1 GLN 349 HE22 -0.07 -0.01 0.01 -0.04 7.69 7.58 1lp3A1 ARG 350 H -0.07 0.14 0.19 -0.55 8.46 8.16 1lp3A1 ARG 350 HA -0.09 0.30 0.95 -0.75 4.34 4.75 1lp3A1 ARG 350 HB2 -0.15 0.01 0.01 -0.04 1.90 1.73 1lp3A1 ARG 350 HB3 -0.18 -0.04 0.13 -0.04 1.80 1.67 1lp3A1 ARG 350 HG2 -0.20 -0.01 -0.31 -0.04 1.67 1.10 1lp3A1 ARG 350 HG3 -0.12 -0.01 0.05 -0.04 1.67 1.55 1lp3A1 ARG 350 HD2 -1.52 -0.03 -0.04 -0.04 3.22 1.60 1lp3A1 ARG 350 HD3 -0.44 -0.01 -0.04 -0.04 3.22 2.69 1lp3A1 VAL 351 H -0.27 0.71 0.33 -0.55 8.24 8.46 1lp3A1 VAL 351 HA -0.03 0.11 0.84 -0.75 4.13 4.31 1lp3A1 VAL 351 HB -0.19 -0.01 0.02 -0.04 2.12 1.89 1lp3A1 VAL 351 HG13 -0.06 0.00 -0.29 -0.04 0.97 0.58 1lp3A1 VAL 351 HG23 -1.15 0.09 -0.16 -0.04 0.95 -0.31 1lp3A1 SER 352 H 0.01 0.18 0.08 -0.55 8.46 8.19 1lp3A1 SER 352 HA 0.04 0.39 1.19 -0.75 4.49 5.36 1lp3A1 SER 352 HB2 -0.46 0.01 -0.04 -0.04 3.95 3.42 1lp3A1 SER 352 HB3 0.21 -0.01 -0.14 -0.04 3.93 3.95 1lp3A1 LYS 353 H 0.11 1.00 0.34 -0.55 8.42 9.33 1lp3A1 LYS 353 HA 0.23 0.06 0.40 -0.75 4.32 4.26 1lp3A1 LYS 353 HB2 0.02 -0.07 0.17 -0.04 1.87 1.95 1lp3A1 LYS 353 HB3 0.05 -0.06 0.08 -0.04 1.79 1.82 1lp3A1 LYS 353 HG2 0.07 -0.03 0.02 -0.04 1.46 1.48 1lp3A1 LYS 353 HG3 0.41 0.10 0.01 -0.04 1.46 1.94 1lp3A1 LYS 353 HD2 0.03 -0.06 0.11 -0.04 1.69 1.73 1lp3A1 LYS 353 HD3 0.00 -0.11 0.01 -0.04 1.68 1.54 1lp3A1 LYS 353 HE2 -0.12 -0.09 -0.02 -0.04 2.99 2.73 1lp3A1 LYS 353 HE3 0.05 0.09 -0.08 -0.04 2.99 3.01 1lp3A1 THR 354 H -0.05 0.02 -0.46 -0.55 8.28 7.25 1lp3A1 THR 354 HA -0.00 0.13 0.60 -0.75 4.39 4.36 1lp3A1 THR 354 HB -0.08 -0.02 0.10 -0.04 4.32 4.29 1lp3A1 THR 354 HG23 -0.02 -0.03 -0.06 -0.04 1.22 1.07 1lp3A1 SER 355 H 0.02 0.26 0.15 -0.55 8.46 8.35 1lp3A1 SER 355 HA 0.04 0.09 0.27 -0.75 4.49 4.14 1lp3A1 SER 355 HB2 0.02 0.05 -0.03 -0.04 3.95 3.95 1lp3A1 SER 355 HB3 0.03 0.02 0.13 -0.04 3.93 4.07 1lp3A1 ALA 356 H 0.01 -0.05 -0.31 -0.55 8.40 7.50 1lp3A1 ALA 356 HA 0.01 0.02 0.33 -0.75 4.34 3.95 1lp3A1 ALA 356 HB3 0.00 -0.03 0.06 -0.04 1.41 1.41 1lp3A1 ASP 357 H 0.01 0.03 0.01 -0.55 8.40 7.91 1lp3A1 ASP 357 HA 0.03 -0.04 0.31 -0.75 4.63 4.17 1lp3A1 ASP 357 HB2 0.07 -0.02 0.01 -0.04 2.71 2.72 1lp3A1 ASP 357 HB3 0.10 -0.02 0.01 -0.04 2.70 2.74 1lp3A1 ASN 358 H 0.05 0.13 -0.28 -0.55 8.53 7.88 1lp3A1 ASN 358 HA 0.04 -0.13 0.46 -0.75 4.76 4.37 1lp3A1 ASN 358 HB2 0.07 0.15 0.11 -0.04 2.88 3.17 1lp3A1 ASN 358 HB3 0.14 -0.01 0.04 -0.04 2.79 2.92 1lp3A1 ASN 358 HD21 0.05 0.41 -0.19 -0.04 7.03 7.25 1lp3A1 ASN 358 HD22 0.05 0.03 -0.05 -0.04 7.74 7.73 1lp3A1 ASN 359 H -0.06 0.03 0.23 -0.55 8.53 8.18 1lp3A1 ASN 359 HA -0.04 0.00 0.46 -0.75 4.76 4.43 1lp3A1 ASN 359 HB2 -0.14 0.02 0.16 -0.04 2.88 2.88 1lp3A1 ASN 359 HB3 -0.34 -0.03 0.10 -0.04 2.79 2.47 1lp3A1 ASN 359 HD21 -0.08 -0.01 -0.01 -0.04 7.03 6.88 1lp3A1 ASN 359 HD22 -0.09 0.01 0.04 -0.04 7.74 7.65 1lp3A1 ASN 360 H -0.01 0.08 0.19 -0.55 8.53 8.25 1lp3A1 ASN 360 HA 0.08 0.17 0.83 -0.75 4.76 5.08 1lp3A1 ASN 360 HB2 0.03 0.11 0.12 -0.04 2.88 3.11 1lp3A1 ASN 360 HB3 0.02 -0.06 0.23 -0.04 2.79 2.94 1lp3A1 ASN 360 HD21 0.02 -0.04 -0.01 -0.04 7.03 6.96 1lp3A1 ASN 360 HD22 0.02 0.04 0.02 -0.04 7.74 7.78 1lp3A1 SER 361 H 0.18 0.41 0.25 -0.55 8.46 8.75 1lp3A1 SER 361 HA 0.08 0.03 0.32 -0.75 4.49 4.17 1lp3A1 SER 361 HB2 0.10 -0.18 0.11 -0.04 3.95 3.93 1lp3A1 SER 361 HB3 0.04 0.24 0.32 -0.04 3.93 4.50 1lp3A1 GLU 362 H 0.12 0.19 0.09 -0.55 8.60 8.45 1lp3A1 GLU 362 HA 0.07 0.26 1.22 -0.75 4.29 5.09 1lp3A1 GLU 362 HB2 0.06 0.03 0.07 -0.04 2.09 2.21 1lp3A1 GLU 362 HB3 0.07 0.01 0.25 -0.04 1.99 2.28 1lp3A1 GLU 362 HG2 0.03 0.05 0.03 -0.04 2.34 2.40 1lp3A1 GLU 362 HG3 0.03 -0.12 0.02 -0.04 2.34 2.23 1lp3A1 TYR 363 H 0.03 0.38 -0.05 -0.55 8.29 8.10 1lp3A1 TYR 363 HA 0.03 0.16 0.78 -0.75 4.56 4.77 1lp3A1 TYR 363 HB2 -0.02 0.01 0.09 -0.04 3.06 3.10 1lp3A1 TYR 363 HB3 -0.00 0.04 -0.13 -0.04 2.98 2.85 1lp3A1 TYR 363 HD2 -0.02 -0.10 -0.26 -0.04 7.15 6.74 1lp3A1 TYR 363 HE2 -0.02 0.11 -0.05 -0.04 6.85 6.84 1lp3A1 SER 364 H -0.12 0.07 -0.27 -0.55 8.46 7.60 1lp3A1 SER 364 HA -0.24 0.14 0.33 -0.75 4.49 3.96 1lp3A1 SER 364 HB2 0.00 0.09 -0.06 -0.04 3.95 3.94 1lp3A1 SER 364 HB3 -0.12 0.05 0.08 -0.04 3.93 3.90 1lp3A1 TRP 365 H 0.19 -0.01 -0.16 -0.55 7.97 7.44 1lp3A1 TRP 365 HA -0.03 0.32 0.95 -0.75 4.62 5.10 1lp3A1 TRP 365 HB2 -0.02 0.03 0.00 -0.04 3.23 3.20 1lp3A1 TRP 365 HB3 -0.02 -0.10 0.10 -0.04 3.23 3.17 1lp3A1 TRP 365 HD1 -0.00 -0.07 -0.19 -0.04 7.22 6.92 1lp3A1 TRP 365 HE1 -0.01 -0.02 -0.10 -0.04 10.20 10.03 1lp3A1 TRP 365 HE3 -0.02 -0.01 -0.04 -0.04 7.59 7.47 1lp3A1 TRP 365 HZ2 0.00 -0.05 -0.09 -0.04 7.44 7.27 1lp3A1 TRP 365 HZ3 -0.03 -0.03 -0.09 -0.04 7.13 6.94 1lp3A1 TRP 365 HH2 -0.02 0.21 -0.30 -0.04 7.19 7.04 1lp3A1 THR 366 H 0.27 0.01 -0.00 -0.55 8.28 8.01 1lp3A1 THR 366 HA 0.06 0.07 0.27 -0.75 4.39 4.04 1lp3A1 THR 366 HB 0.11 0.01 0.09 -0.04 4.32 4.50 1lp3A1 THR 366 HG23 0.19 -0.04 0.15 -0.04 1.22 1.48 1lp3A1 GLY 367 H 0.03 0.23 -0.45 -0.55 8.43 7.70 1lp3A1 GLY 367 HA2 -0.03 0.13 0.68 -0.51 4.01 4.29 1lp3A1 GLY 367 HA3 0.09 -0.08 0.28 -0.51 4.01 3.80 1lp3A1 ALA 368 H -0.19 0.28 -0.28 -0.55 8.40 7.66 1lp3A1 ALA 368 HA -0.11 -0.11 0.53 -0.75 4.34 3.90 1lp3A1 ALA 368 HB3 -0.21 0.03 0.07 -0.04 1.41 1.26 1lp3A1 THR 369 H -0.10 -0.04 0.24 -0.55 8.28 7.83 1lp3A1 THR 369 HA -0.14 0.05 0.48 -0.75 4.39 4.03 1lp3A1 THR 369 HB -0.06 -0.18 0.34 -0.04 4.32 4.38 1lp3A1 THR 369 HG23 0.12 0.02 -0.01 -0.04 1.22 1.30 1lp3A1 LYS 370 H -0.07 0.15 0.23 -0.55 8.42 8.18 1lp3A1 LYS 370 HA -0.12 0.08 0.68 -0.75 4.32 4.21 1lp3A1 LYS 370 HB2 -0.19 0.35 0.24 -0.04 1.87 2.23 1lp3A1 LYS 370 HB3 -0.42 -0.05 -0.15 -0.04 1.79 1.12 1lp3A1 LYS 370 HG2 -0.27 0.06 -0.00 -0.04 1.46 1.20 1lp3A1 LYS 370 HG3 -0.11 -0.08 -0.14 -0.04 1.46 1.08 1lp3A1 LYS 370 HD2 -0.20 -0.11 -0.10 -0.04 1.69 1.24 1lp3A1 LYS 370 HD3 -0.56 -0.02 -0.19 -0.04 1.68 0.87 1lp3A1 LYS 370 HE2 -2.18 -0.17 -0.16 -0.04 2.99 0.44 1lp3A1 LYS 370 HE3 -1.23 0.07 -0.15 -0.04 2.99 1.63 1lp3A1 TYR 371 H -0.16 0.56 0.26 -0.55 8.29 8.40 1lp3A1 TYR 371 HA 0.14 0.13 0.70 -0.75 4.56 4.78 1lp3A1 TYR 371 HB2 0.06 -0.06 0.08 -0.04 3.06 3.10 1lp3A1 TYR 371 HB3 0.02 0.07 -0.15 -0.04 2.98 2.88 1lp3A1 TYR 371 HD2 0.04 0.02 -1.04 -0.04 7.15 6.12 1lp3A1 TYR 371 HE2 0.04 0.01 -0.04 -0.04 6.85 6.83 1lp3A1 HIS 372 H 0.37 0.20 0.11 -0.55 8.41 8.53 1lp3A1 HIS 372 HA 0.45 0.12 0.60 -0.75 4.63 5.05 1lp3A1 HIS 372 HB2 0.20 0.11 -0.56 -0.04 3.26 2.97 1lp3A1 HIS 372 HB3 0.19 0.01 -0.47 -0.04 3.20 2.89 1lp3A1 HIS 372 HD2 0.10 0.02 -0.47 -0.04 6.97 6.57 1lp3A1 HIS 372 HE1 0.05 0.01 -0.04 -0.04 7.75 7.72 1lp3A1 LEU 373 H 0.14 0.43 0.19 -0.55 8.37 8.58 1lp3A1 LEU 373 HA -0.17 0.11 0.84 -0.75 4.35 4.37 1lp3A1 LEU 373 HB2 0.03 0.08 0.06 -0.04 1.64 1.77 1lp3A1 LEU 373 HB3 -0.04 -0.02 0.03 -0.04 1.64 1.57 1lp3A1 LEU 373 HG -0.28 -0.02 -0.10 -0.04 1.64 1.20 1lp3A1 LEU 373 HD13 -0.04 0.02 -0.02 -0.04 0.93 0.85 1lp3A1 LEU 373 HD23 -0.15 0.01 0.00 -0.04 0.89 0.71 1lp3A1 ASN 374 H -0.10 0.16 0.13 -0.55 8.53 8.18 1lp3A1 ASN 374 HA -0.04 0.02 0.33 -0.75 4.76 4.31 1lp3A1 ASN 374 HB2 0.01 -0.02 -0.13 -0.04 2.88 2.70 1lp3A1 ASN 374 HB3 0.03 0.09 0.21 -0.04 2.79 3.08 1lp3A1 ASN 374 HD21 0.01 -0.02 0.03 -0.04 7.03 7.01 1lp3A1 ASN 374 HD22 0.02 0.02 0.02 -0.04 7.74 7.76 1lp3A1 GLY 375 H -0.22 0.04 -0.44 -0.55 8.43 7.27 1lp3A1 GLY 375 HA2 0.20 -0.03 0.18 -0.51 4.01 3.85 1lp3A1 GLY 375 HA3 0.10 0.04 0.34 -0.51 4.01 3.98 1lp3A1 ARG 376 H 0.10 0.87 -0.30 -0.55 8.46 8.57 1lp3A1 ARG 376 HA 0.18 0.09 1.04 -0.75 4.34 4.89 1lp3A1 ARG 376 HB2 0.15 0.07 -0.04 -0.04 1.90 2.03 1lp3A1 ARG 376 HB3 0.10 -0.07 -0.08 -0.04 1.80 1.71 1lp3A1 ARG 376 HG2 0.11 0.00 -0.05 -0.04 1.67 1.69 1lp3A1 ARG 376 HG3 0.10 0.09 -0.08 -0.04 1.67 1.74 1lp3A1 ARG 376 HD2 0.09 0.04 -0.06 -0.04 3.22 3.25 1lp3A1 ARG 376 HD3 0.15 -0.07 0.04 -0.04 3.22 3.30 1lp3A1 ASP 377 H 0.27 0.09 0.04 -0.55 8.40 8.25 1lp3A1 ASP 377 HA 0.40 0.12 0.70 -0.75 4.63 5.09 1lp3A1 ASP 377 HB2 0.39 -0.11 0.13 -0.04 2.71 3.09 1lp3A1 ASP 377 HB3 0.40 0.08 -0.06 -0.04 2.70 3.08 1lp3A1 SER 378 H 0.21 0.40 0.40 -0.55 8.46 8.93 1lp3A1 SER 378 HA 0.24 0.20 0.99 -0.75 4.49 5.16 1lp3A1 SER 378 HB2 -0.32 -0.00 0.06 -0.04 3.95 3.65 1lp3A1 SER 378 HB3 0.00 -0.02 0.16 -0.04 3.93 4.04 1lp3A1 LEU 379 H 0.06 0.09 0.13 -0.55 8.37 8.10 1lp3A1 LEU 379 HA -0.23 0.16 0.59 -0.75 4.35 4.12 1lp3A1 LEU 379 HB2 0.16 -0.03 0.07 -0.04 1.64 1.80 1lp3A1 LEU 379 HB3 0.00 -0.02 0.03 -0.04 1.64 1.62 1lp3A1 LEU 379 HG -0.06 0.02 -0.32 -0.04 1.64 1.24 1lp3A1 LEU 379 HD13 -0.19 0.01 -0.01 -0.04 0.93 0.70 1lp3A1 LEU 379 HD23 0.06 -0.01 -0.04 -0.04 0.89 0.86 1lp3A1 VAL 380 H -0.14 0.44 0.15 -0.55 8.24 8.14 1lp3A1 VAL 380 HA -0.15 0.19 0.94 -0.75 4.13 4.35 1lp3A1 VAL 380 HB 0.02 0.11 0.08 -0.04 2.12 2.29 1lp3A1 VAL 380 HG13 0.01 -0.00 -0.11 -0.04 0.97 0.82 1lp3A1 VAL 380 HG23 -0.02 -0.05 -0.25 -0.04 0.95 0.60 1lp3A1 ASN 381 H -0.05 0.13 -0.20 -0.55 8.53 7.86 1lp3A1 ASN 381 HA -0.01 0.17 0.70 -0.75 4.76 4.87 1lp3A1 ASN 381 HB2 -0.02 -0.09 -0.01 -0.04 2.88 2.72 1lp3A1 ASN 381 HB3 -0.02 0.02 -0.19 -0.04 2.79 2.57 1lp3A1 ASN 381 HD21 -0.01 -0.02 0.03 -0.04 7.03 6.99 1lp3A1 ASN 381 HD22 -0.01 -0.04 -0.01 -0.04 7.74 7.63 1lp3A1 PRO 382 HA 0.03 -0.05 0.15 -0.51 4.44 4.05 1lp3A1 PRO 382 HB2 0.03 0.02 -0.02 -0.04 2.28 2.26 1lp3A1 PRO 382 HB3 0.03 0.02 0.02 -0.04 2.02 2.04 1lp3A1 PRO 382 HG2 -0.00 0.04 -0.64 -0.04 2.03 1.38 1lp3A1 PRO 382 HG3 -0.02 0.00 -0.15 -0.04 2.03 1.83 1lp3A1 PRO 382 HD2 -0.02 0.00 -0.02 -0.04 3.68 3.60 1lp3A1 PRO 382 HD3 -0.02 0.11 -0.04 -0.04 3.65 3.66 1lp3A1 GLY 383 H 0.04 0.03 -0.11 -0.55 8.43 7.84 1lp3A1 GLY 383 HA2 0.02 0.08 0.17 -0.51 4.01 3.77 1lp3A1 GLY 383 HA3 0.05 -0.05 0.20 -0.51 4.01 3.70 1lp3A1 PRO 384 HA -0.00 0.02 0.44 -0.51 4.44 4.39 1lp3A1 PRO 384 HB2 -0.04 -0.01 -0.12 -0.04 2.28 2.06 1lp3A1 PRO 384 HB3 -0.09 0.01 -0.00 -0.04 2.02 1.89 1lp3A1 PRO 384 HG2 -0.11 -0.02 -0.04 -0.04 2.03 1.81 1lp3A1 PRO 384 HG3 -0.08 0.05 0.02 -0.04 2.03 1.98 1lp3A1 PRO 384 HD2 0.03 0.05 0.10 -0.04 3.68 3.82 1lp3A1 PRO 384 HD3 -0.05 0.13 0.09 -0.04 3.65 3.78 1lp3A1 ALA 385 H 0.03 0.06 0.15 -0.55 8.40 8.10 1lp3A1 ALA 385 HA 0.07 0.03 0.33 -0.75 4.34 4.02 1lp3A1 ALA 385 HB3 0.12 -0.02 0.17 -0.04 1.41 1.64 1lp3A1 MET 386 H 0.06 0.20 0.13 -0.55 8.47 8.32 1lp3A1 MET 386 HA 0.07 -0.04 0.43 -0.75 4.52 4.22 1lp3A1 MET 386 HB2 0.06 0.20 -0.05 -0.04 2.15 2.32 1lp3A1 MET 386 HB3 0.05 0.16 0.02 -0.04 2.03 2.21 1lp3A1 MET 386 HG2 0.05 0.53 -0.20 -0.04 2.63 2.97 1lp3A1 MET 386 HG3 0.05 -0.18 0.02 -0.04 2.56 2.42 1lp3A1 MET 386 HE3 0.09 0.02 -0.18 -0.04 2.10 1.98 1lp3A1 ALA 387 H 0.05 0.15 0.02 -0.55 8.40 8.08 1lp3A1 ALA 387 HA 0.01 0.09 0.41 -0.75 4.34 4.09 1lp3A1 ALA 387 HB3 0.01 -0.00 0.04 -0.04 1.41 1.42 1lp3A1 SER 388 H -0.08 -0.06 0.01 -0.55 8.46 7.78 1lp3A1 SER 388 HA 0.06 0.20 0.79 -0.75 4.49 4.79 1lp3A1 SER 388 HB2 0.16 0.11 0.22 -0.04 3.95 4.40 1lp3A1 SER 388 HB3 0.07 0.15 0.14 -0.04 3.93 4.24 1lp3A1 HIS 389 H -0.14 0.13 -0.15 -0.55 8.41 7.70 1lp3A1 HIS 389 HA 0.08 -0.01 0.20 -0.75 4.63 4.15 1lp3A1 HIS 389 HB2 0.19 -0.02 -0.04 -0.04 3.26 3.35 1lp3A1 HIS 389 HB3 0.20 0.28 0.12 -0.04 3.20 3.76 1lp3A1 HIS 389 HD2 0.09 0.15 -0.29 -0.04 6.97 6.88 1lp3A1 HIS 389 HE1 0.09 0.06 0.04 -0.04 7.75 7.89 1lp3A1 LYS 390 H 0.15 0.10 0.03 -0.55 8.42 8.15 1lp3A1 LYS 390 HA 0.09 0.09 0.41 -0.75 4.32 4.16 1lp3A1 LYS 390 HB2 0.06 -0.03 0.13 -0.04 1.87 2.00 1lp3A1 LYS 390 HB3 0.05 0.03 0.08 -0.04 1.79 1.92 1lp3A1 LYS 390 HG2 0.07 -0.09 0.03 -0.04 1.46 1.43 1lp3A1 LYS 390 HG3 0.08 0.13 -0.13 -0.04 1.46 1.51 1lp3A1 LYS 390 HD2 0.02 0.02 -0.00 -0.04 1.69 1.68 1lp3A1 LYS 390 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.60 1lp3A1 LYS 390 HE2 0.04 0.05 -0.05 -0.04 2.99 2.99 1lp3A1 LYS 390 HE3 0.01 -0.00 -0.03 -0.04 2.99 2.93 1lp3A1 ASP 391 H 0.08 0.11 0.11 -0.55 8.40 8.15 1lp3A1 ASP 391 HA 0.11 0.02 0.39 -0.75 4.63 4.39 1lp3A1 ASP 391 HB2 0.05 0.01 0.05 -0.04 2.71 2.79 1lp3A1 ASP 391 HB3 0.06 0.01 0.01 -0.04 2.70 2.73 1lp3A1 ASP 392 H 0.07 0.09 0.16 -0.55 8.40 8.17 1lp3A1 ASP 392 HA 0.03 -0.03 0.34 -0.75 4.63 4.22 1lp3A1 ASP 392 HB2 0.05 0.27 0.04 -0.04 2.71 3.03 1lp3A1 ASP 392 HB3 0.03 -0.03 0.21 -0.04 2.70 2.88 1lp3A1 GLU 393 H -0.02 0.18 -0.12 -0.55 8.60 8.09 1lp3A1 GLU 393 HA -0.02 0.16 0.82 -0.75 4.29 4.49 1lp3A1 GLU 393 HB2 0.24 0.01 -0.02 -0.04 2.09 2.29 1lp3A1 GLU 393 HB3 0.66 -0.05 0.12 -0.04 1.99 2.67 1lp3A1 GLU 393 HG2 0.13 0.08 -1.22 -0.04 2.34 1.29 1lp3A1 GLU 393 HG3 0.16 -0.02 -0.45 -0.04 2.34 1.99 1lp3A1 GLU 394 H -0.21 0.12 0.03 -0.55 8.60 8.01 1lp3A1 GLU 394 HA -1.43 0.13 0.36 -0.75 4.29 2.59 1lp3A1 GLU 394 HB2 -0.10 -0.07 0.13 -0.04 2.09 2.01 1lp3A1 GLU 394 HB3 -0.09 0.03 -0.01 -0.04 1.99 1.87 1lp3A1 GLU 394 HG2 0.05 0.01 0.04 -0.04 2.34 2.40 1lp3A1 GLU 394 HG3 0.07 0.10 0.13 -0.04 2.34 2.60 1lp3A1 LYS 395 H -0.23 -0.10 -0.78 -0.55 8.42 6.75 1lp3A1 LYS 395 HA -0.09 0.07 0.42 -0.75 4.32 3.97 1lp3A1 LYS 395 HB2 -0.21 -0.00 0.05 -0.04 1.87 1.66 1lp3A1 LYS 395 HB3 -0.36 -0.02 0.01 -0.04 1.79 1.38 1lp3A1 LYS 395 HG2 -1.25 0.12 -0.37 -0.04 1.46 -0.09 1lp3A1 LYS 395 HG3 -0.36 -0.24 0.03 -0.04 1.46 0.86 1lp3A1 LYS 395 HD2 -0.26 -0.02 -0.01 -0.04 1.69 1.35 1lp3A1 LYS 395 HD3 -0.45 0.05 -0.02 -0.04 1.68 1.23 1lp3A1 LYS 395 HE2 -1.27 0.06 -0.07 -0.04 2.99 1.66 1lp3A1 LYS 395 HE3 -0.32 -0.07 -0.02 -0.04 2.99 2.53 1lp3A1 PHE 396 H 0.02 0.60 -0.12 -0.55 8.34 8.29 1lp3A1 PHE 396 HA 0.09 0.22 1.20 -0.75 4.62 5.37 1lp3A1 PHE 396 HB2 0.09 0.06 0.10 -0.04 3.15 3.35 1lp3A1 PHE 396 HB3 0.03 -0.07 0.20 -0.04 3.06 3.17 1lp3A1 PHE 396 HD2 -0.02 0.12 -0.15 -0.04 7.28 7.19 1lp3A1 PHE 396 HE2 -0.01 0.01 -0.08 -0.04 7.38 7.25 1lp3A1 PHE 396 HZ -0.01 -0.01 -0.05 -0.04 7.32 7.22 1lp3A1 PHE 397 H 0.14 0.29 0.35 -0.55 8.34 8.56 1lp3A1 PHE 397 HA 0.17 0.17 0.44 -0.75 4.62 4.64 1lp3A1 PHE 397 HB2 0.10 0.01 0.14 -0.04 3.15 3.36 1lp3A1 PHE 397 HB3 0.16 0.23 0.28 -0.04 3.06 3.69 1lp3A1 PHE 397 HD2 0.08 0.15 -0.44 -0.04 7.28 7.03 1lp3A1 PHE 397 HE2 0.04 -0.04 -0.20 -0.04 7.38 7.14 1lp3A1 PHE 397 HZ 0.04 -0.05 -0.18 -0.04 7.32 7.09 1lp3A1 PRO 398 HA 0.02 0.34 0.54 -0.51 4.44 4.83 1lp3A1 PRO 398 HB2 0.11 -0.53 0.13 -0.04 2.28 1.94 1lp3A1 PRO 398 HB3 0.06 0.09 0.13 -0.04 2.02 2.26 1lp3A1 PRO 398 HG2 0.11 0.18 0.05 -0.04 2.03 2.33 1lp3A1 PRO 398 HG3 0.10 0.01 0.10 -0.04 2.03 2.20 1lp3A1 PRO 398 HD2 0.28 0.12 0.11 -0.04 3.68 4.15 1lp3A1 PRO 398 HD3 0.26 0.19 0.31 -0.04 3.65 4.37 1lp3A1 GLN 399 H 0.00 0.19 0.29 -0.55 8.47 8.42 1lp3A1 GLN 399 HA 0.01 0.13 0.54 -0.75 4.36 4.28 1lp3A1 GLN 399 HB2 -0.02 0.01 0.21 -0.04 2.15 2.30 1lp3A1 GLN 399 HB3 -0.02 -0.03 0.11 -0.04 2.02 2.04 1lp3A1 GLN 399 HG2 -0.04 0.05 0.04 -0.04 2.40 2.41 1lp3A1 GLN 399 HG3 -0.05 -0.00 0.05 -0.04 2.39 2.35 1lp3A1 GLN 399 HE21 -0.03 0.05 -0.14 -0.04 6.97 6.81 1lp3A1 GLN 399 HE22 -0.10 0.17 0.08 -0.04 7.69 7.80 1lp3A1 SER 400 H 0.04 -0.02 0.01 -0.55 8.46 7.94 1lp3A1 SER 400 HA 0.04 0.24 0.73 -0.75 4.49 4.75 1lp3A1 SER 400 HB2 -0.00 0.04 0.16 -0.04 3.95 4.11 1lp3A1 SER 400 HB3 -0.01 0.04 -0.07 -0.04 3.93 3.85 1lp3A1 GLY 401 H 0.09 -0.01 -0.12 -0.55 8.43 7.84 1lp3A1 GLY 401 HA2 0.05 0.03 0.66 -0.51 4.01 4.24 1lp3A1 GLY 401 HA3 0.07 -0.00 0.36 -0.51 4.01 3.93 1lp3A1 VAL 402 H 0.07 0.15 -0.33 -0.55 8.24 7.58 1lp3A1 VAL 402 HA 0.04 0.28 1.06 -0.75 4.13 4.76 1lp3A1 VAL 402 HB -0.02 0.07 0.02 -0.04 2.12 2.15 1lp3A1 VAL 402 HG13 0.08 -0.02 -0.09 -0.04 0.97 0.89 1lp3A1 VAL 402 HG23 0.05 -0.03 -0.20 -0.04 0.95 0.72 1lp3A1 LEU 403 H -0.04 0.09 0.12 -0.55 8.37 8.00 1lp3A1 LEU 403 HA -0.15 0.16 0.64 -0.75 4.35 4.24 1lp3A1 LEU 403 HB2 -0.08 -0.04 0.10 -0.04 1.64 1.58 1lp3A1 LEU 403 HB3 -0.19 -0.05 -0.06 -0.04 1.64 1.29 1lp3A1 LEU 403 HG -0.28 0.00 0.03 -0.04 1.64 1.35 1lp3A1 LEU 403 HD13 -0.00 0.03 -0.04 -0.04 0.93 0.87 1lp3A1 LEU 403 HD23 0.03 0.01 -0.03 -0.04 0.89 0.86 1lp3A1 ILE 404 H -0.28 0.25 0.15 -0.55 8.25 7.82 1lp3A1 ILE 404 HA -0.05 0.22 1.09 -0.75 4.18 4.69 1lp3A1 ILE 404 HB -0.08 -0.01 0.08 -0.04 1.89 1.84 1lp3A1 ILE 404 HG12 -0.10 -0.01 -0.18 -0.04 1.49 1.16 1lp3A1 ILE 404 HG13 -0.08 -0.08 -0.86 -0.04 1.21 0.14 1lp3A1 ILE 404 HG23 -0.03 0.00 -0.32 -0.04 0.93 0.54 1lp3A1 ILE 404 HD13 -0.01 -0.00 -0.13 -0.04 0.88 0.70 1lp3A1 PHE 405 H 0.31 0.47 0.25 -0.55 8.34 8.83 1lp3A1 PHE 405 HA -0.02 0.19 0.87 -0.75 4.62 4.91 1lp3A1 PHE 405 HB2 -0.03 -0.02 -0.04 -0.04 3.15 3.02 1lp3A1 PHE 405 HB3 -0.00 0.04 0.04 -0.04 3.06 3.10 1lp3A1 PHE 405 HD2 -0.05 0.06 -0.04 -0.04 7.28 7.20 1lp3A1 PHE 405 HE2 -0.17 0.19 -0.15 -0.04 7.38 7.20 1lp3A1 PHE 405 HZ -0.00 0.08 -0.18 -0.04 7.32 7.18 1lp3A1 GLY 406 H 0.13 0.13 0.13 -0.55 8.43 8.28 1lp3A1 GLY 406 HA2 0.04 0.11 0.65 -0.51 4.01 4.30 1lp3A1 GLY 406 HA3 0.05 0.07 0.26 -0.51 4.01 3.87 1lp3A1 LYS 407 H 0.01 0.73 0.35 -0.55 8.42 8.96 1lp3A1 LYS 407 HA -0.02 0.09 0.54 -0.75 4.32 4.18 1lp3A1 LYS 407 HB2 -0.01 0.09 0.18 -0.04 1.87 2.08 1lp3A1 LYS 407 HB3 -0.04 -0.04 -0.01 -0.04 1.79 1.67 1lp3A1 LYS 407 HG2 -0.05 0.03 -0.01 -0.04 1.46 1.39 1lp3A1 LYS 407 HG3 -0.01 -0.04 -0.23 -0.04 1.46 1.13 1lp3A1 LYS 407 HD2 -0.01 0.04 -0.26 -0.04 1.69 1.41 1lp3A1 LYS 407 HD3 -0.03 -0.10 0.02 -0.04 1.68 1.53 1lp3A1 LYS 407 HE2 -0.03 -0.10 -0.00 -0.04 2.99 2.82 1lp3A1 LYS 407 HE3 -0.02 0.01 -0.10 -0.04 2.99 2.84 1lp3A1 GLN 408 H -0.05 0.15 0.15 -0.55 8.47 8.17 1lp3A1 GLN 408 HA -0.00 -0.00 0.33 -0.75 4.36 3.93 1lp3A1 GLN 408 HB2 -0.09 -0.09 0.21 -0.04 2.15 2.13 1lp3A1 GLN 408 HB3 -0.08 -0.03 0.10 -0.04 2.02 1.98 1lp3A1 GLN 408 HG2 -0.01 -0.02 0.08 -0.04 2.40 2.41 1lp3A1 GLN 408 HG3 -0.07 0.24 0.10 -0.04 2.39 2.62 1lp3A1 GLN 408 HE21 0.01 -0.03 -0.09 -0.04 6.97 6.81 1lp3A1 GLN 408 HE22 0.02 0.00 -0.02 -0.04 7.69 7.65 1lp3A1 GLY 409 H 0.01 0.13 0.07 -0.55 8.43 8.09 1lp3A1 GLY 409 HA2 0.00 -0.05 0.35 -0.51 4.01 3.80 1lp3A1 GLY 409 HA3 -0.01 0.15 0.87 -0.51 4.01 4.51 1lp3A1 SER 410 H 0.00 0.72 -0.13 -0.55 8.46 8.50 1lp3A1 SER 410 HA 0.00 -0.15 0.38 -0.75 4.49 3.97 1lp3A1 SER 410 HB2 0.02 -0.07 0.06 -0.04 3.95 3.92 1lp3A1 SER 410 HB3 0.01 0.02 -0.06 -0.04 3.93 3.87 1lp3A1 GLU 411 H 0.01 -0.04 0.15 -0.55 8.60 8.17 1lp3A1 GLU 411 HA 0.01 0.14 0.42 -0.75 4.29 4.10 1lp3A1 GLU 411 HB2 0.00 -0.03 0.14 -0.04 2.09 2.16 1lp3A1 GLU 411 HB3 0.01 -0.09 0.09 -0.04 1.99 1.96 1lp3A1 GLU 411 HG2 0.01 -0.04 0.11 -0.04 2.34 2.38 1lp3A1 GLU 411 HG3 0.00 0.11 0.08 -0.04 2.34 2.49 1lp3A1 LYS 412 H 0.01 0.05 0.16 -0.55 8.42 8.09 1lp3A1 LYS 412 HA 0.01 0.21 0.44 -0.75 4.32 4.22 1lp3A1 LYS 412 HB2 0.01 0.03 0.11 -0.04 1.87 1.98 1lp3A1 LYS 412 HB3 0.01 -0.08 0.11 -0.04 1.79 1.79 1lp3A1 LYS 412 HG2 0.01 0.01 -0.24 -0.04 1.46 1.20 1lp3A1 LYS 412 HG3 0.01 0.04 0.02 -0.04 1.46 1.49 1lp3A1 LYS 412 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.63 1lp3A1 LYS 412 HD3 0.00 -0.05 -0.12 -0.04 1.68 1.47 1lp3A1 LYS 412 HE2 0.00 -0.03 -0.04 -0.04 2.99 2.89 1lp3A1 LYS 412 HE3 0.01 0.00 -0.06 -0.04 2.99 2.90 1lp3A1 THR 413 H 0.01 0.07 0.02 -0.55 8.28 7.82 1lp3A1 THR 413 HA 0.01 0.32 1.16 -0.75 4.39 5.12 1lp3A1 THR 413 HB 0.00 0.09 -0.00 -0.04 4.32 4.36 1lp3A1 THR 413 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.14 1lp3A1 ASN 414 H 0.01 0.20 0.12 -0.55 8.53 8.30 1lp3A1 ASN 414 HA 0.01 0.08 0.28 -0.75 4.76 4.37 1lp3A1 ASN 414 HB2 0.00 0.01 -0.24 -0.04 2.88 2.61 1lp3A1 ASN 414 HB3 0.01 -0.00 0.18 -0.04 2.79 2.94 1lp3A1 ASN 414 HD21 0.00 -0.02 0.02 -0.04 7.03 6.99 1lp3A1 ASN 414 HD22 0.01 0.03 0.03 -0.04 7.74 7.77 1lp3A1 VAL 415 H 0.01 0.06 -0.64 -0.55 8.24 7.12 1lp3A1 VAL 415 HA 0.01 0.00 0.45 -0.75 4.13 3.84 1lp3A1 VAL 415 HB 0.01 0.10 -0.21 -0.04 2.12 1.97 1lp3A1 VAL 415 HG13 0.01 0.02 -0.30 -0.04 0.97 0.66 1lp3A1 VAL 415 HG23 0.01 -0.03 0.02 -0.04 0.95 0.91 1lp3A1 ASP 416 H 0.01 0.08 0.15 -0.55 8.40 8.09 1lp3A1 ASP 416 HA 0.02 0.19 0.61 -0.75 4.63 4.69 1lp3A1 ASP 416 HB2 0.01 0.01 0.16 -0.04 2.71 2.86 1lp3A1 ASP 416 HB3 0.01 -0.14 -0.06 -0.04 2.70 2.48 1lp3A1 ILE 417 H 0.03 0.18 0.16 -0.55 8.25 8.08 1lp3A1 ILE 417 HA 0.03 0.11 0.31 -0.75 4.18 3.88 1lp3A1 ILE 417 HB 0.06 0.05 0.14 -0.04 1.89 2.11 1lp3A1 ILE 417 HG12 0.04 0.01 -0.04 -0.04 1.49 1.46 1lp3A1 ILE 417 HG13 0.02 0.04 -0.10 -0.04 1.21 1.13 1lp3A1 ILE 417 HG23 0.03 -0.01 0.04 -0.04 0.93 0.95 1lp3A1 ILE 417 HD13 0.10 0.01 0.00 -0.04 0.88 0.96 1lp3A1 GLU 418 H 0.01 -0.01 -0.37 -0.55 8.60 7.68 1lp3A1 GLU 418 HA -0.00 0.11 0.48 -0.75 4.29 4.12 1lp3A1 GLU 418 HB2 0.00 -0.01 -0.03 -0.04 2.09 2.01 1lp3A1 GLU 418 HB3 -0.00 0.02 0.11 -0.04 1.99 2.07 1lp3A1 GLU 418 HG2 0.00 0.01 0.03 -0.04 2.34 2.34 1lp3A1 GLU 418 HG3 0.01 -0.03 0.02 -0.04 2.34 2.31 1lp3A1 LYS 419 H 0.00 1.00 -0.15 -0.55 8.42 8.72 1lp3A1 LYS 419 HA -0.00 0.15 0.80 -0.75 4.32 4.51 1lp3A1 LYS 419 HB2 0.01 0.06 -0.06 -0.04 1.87 1.84 1lp3A1 LYS 419 HB3 0.00 -0.06 0.13 -0.04 1.79 1.82 1lp3A1 LYS 419 HG2 0.00 -0.07 0.04 -0.04 1.46 1.39 1lp3A1 LYS 419 HG3 0.00 -0.08 0.04 -0.04 1.46 1.38 1lp3A1 LYS 419 HD2 -0.01 0.08 -0.01 -0.04 1.69 1.72 1lp3A1 LYS 419 HD3 -0.00 -0.04 -0.33 -0.04 1.68 1.27 1lp3A1 LYS 419 HE2 -0.01 0.00 -0.04 -0.04 2.99 2.90 1lp3A1 LYS 419 HE3 -0.00 -0.06 -0.01 -0.04 2.99 2.88 1lp3A1 VAL 420 H 0.00 0.42 -0.21 -0.55 8.24 7.90 1lp3A1 VAL 420 HA 0.02 0.15 1.20 -0.75 4.13 4.74 1lp3A1 VAL 420 HB 0.01 0.11 -0.11 -0.04 2.12 2.09 1lp3A1 VAL 420 HG13 0.01 -0.03 -0.34 -0.04 0.97 0.57 1lp3A1 VAL 420 HG23 -0.01 -0.02 -0.18 -0.04 0.95 0.70 1lp3A1 MET 421 H 0.05 0.89 0.25 -0.55 8.47 9.11 1lp3A1 MET 421 HA -0.01 0.12 0.88 -0.75 4.52 4.75 1lp3A1 MET 421 HB2 0.07 -0.10 0.06 -0.04 2.15 2.15 1lp3A1 MET 421 HB3 0.00 -0.03 0.00 -0.04 2.03 1.97 1lp3A1 MET 421 HG2 -0.01 0.07 -0.20 -0.04 2.63 2.45 1lp3A1 MET 421 HG3 0.02 -0.02 -0.33 -0.04 2.56 2.19 1lp3A1 MET 421 HE3 -0.02 -0.04 -0.30 -0.04 2.10 1.70 1lp3A1 ILE 422 H -0.06 0.17 0.10 -0.55 8.25 7.91 1lp3A1 ILE 422 HA -0.08 0.19 0.97 -0.75 4.18 4.51 1lp3A1 ILE 422 HB -0.25 -0.05 0.09 -0.04 1.89 1.64 1lp3A1 ILE 422 HG12 -0.28 0.04 -0.13 -0.04 1.49 1.08 1lp3A1 ILE 422 HG13 -0.14 -0.08 -0.31 -0.04 1.21 0.64 1lp3A1 ILE 422 HG23 -0.45 0.06 -0.14 -0.04 0.93 0.37 1lp3A1 ILE 422 HD13 -0.47 -0.01 -0.07 -0.04 0.88 0.29 1lp3A1 THR 423 H -0.06 0.79 0.32 -0.55 8.28 8.78 1lp3A1 THR 423 HA -0.06 0.05 0.63 -0.75 4.39 4.26 1lp3A1 THR 423 HB -0.35 -0.08 -0.00 -0.04 4.32 3.85 1lp3A1 THR 423 HG23 -0.41 0.03 -0.08 -0.04 1.22 0.72 1lp3A1 ASP 424 H 0.10 0.16 0.19 -0.55 8.40 8.30 1lp3A1 ASP 424 HA 0.06 0.16 0.88 -0.75 4.63 4.97 1lp3A1 ASP 424 HB2 0.13 0.20 -0.01 -0.04 2.71 2.99 1lp3A1 ASP 424 HB3 0.11 0.02 0.14 -0.04 2.70 2.92 1lp3A1 GLU 425 H 0.01 0.21 0.14 -0.55 8.60 8.41 1lp3A1 GLU 425 HA 0.08 0.31 1.21 -0.75 4.29 5.13 1lp3A1 GLU 425 HB2 0.04 -0.00 0.13 -0.04 2.09 2.22 1lp3A1 GLU 425 HB3 0.07 -0.01 0.15 -0.04 1.99 2.16 1lp3A1 GLU 425 HG2 0.11 -0.08 -0.31 -0.04 2.34 2.03 1lp3A1 GLU 425 HG3 0.10 0.19 -0.04 -0.04 2.34 2.56 1lp3A1 GLU 426 H -0.06 0.21 -0.18 -0.55 8.60 8.03 1lp3A1 GLU 426 HA -0.14 -0.01 0.39 -0.75 4.29 3.78 1lp3A1 GLU 426 HB2 0.01 0.06 -0.04 -0.04 2.09 2.08 1lp3A1 GLU 426 HB3 -0.16 0.08 0.09 -0.04 1.99 1.96 1lp3A1 GLU 426 HG2 0.02 -0.08 0.07 -0.04 2.34 2.30 1lp3A1 GLU 426 HG3 0.05 0.07 -0.02 -0.04 2.34 2.39 1lp3A1 GLU 427 H -0.01 0.09 -0.21 -0.55 8.60 7.93 1lp3A1 GLU 427 HA -0.00 0.06 0.29 -0.75 4.29 3.89 1lp3A1 GLU 427 HB2 -0.04 0.01 -0.02 -0.04 2.09 2.00 1lp3A1 GLU 427 HB3 -0.07 0.04 0.04 -0.04 1.99 1.97 1lp3A1 GLU 427 HG2 -0.11 0.08 0.04 -0.04 2.34 2.32 1lp3A1 GLU 427 HG3 -0.06 0.01 0.05 -0.04 2.34 2.30 1lp3A1 ILE 428 H 0.01 0.28 -0.42 -0.55 8.25 7.57 1lp3A1 ILE 428 HA 0.03 0.11 0.70 -0.75 4.18 4.27 1lp3A1 ILE 428 HB 0.04 0.06 0.16 -0.04 1.89 2.10 1lp3A1 ILE 428 HG12 0.03 -0.01 -0.02 -0.04 1.49 1.45 1lp3A1 ILE 428 HG13 0.01 -0.06 -0.05 -0.04 1.21 1.07 1lp3A1 ILE 428 HG23 0.09 0.05 -0.11 -0.04 0.93 0.92 1lp3A1 ILE 428 HD13 0.08 0.04 -0.21 -0.04 0.88 0.75 1lp3A1 ARG 429 H 0.02 0.33 0.17 -0.55 8.46 8.43 1lp3A1 ARG 429 HA 0.03 0.06 0.37 -0.75 4.34 4.05 1lp3A1 ARG 429 HB2 0.04 -0.04 -0.04 -0.04 1.90 1.82 1lp3A1 ARG 429 HB3 0.03 -0.05 -0.04 -0.04 1.80 1.70 1lp3A1 ARG 429 HG2 0.01 -0.07 0.06 -0.04 1.67 1.64 1lp3A1 ARG 429 HG3 0.00 0.56 0.29 -0.04 1.67 2.49 1lp3A1 ARG 429 HD2 0.04 0.00 -0.07 -0.04 3.22 3.16 1lp3A1 ARG 429 HD3 0.05 -0.07 -0.04 -0.04 3.22 3.12 1lp3A1 THR 430 H 0.05 0.06 -0.60 -0.55 8.28 7.24 1lp3A1 THR 430 HA 0.03 -0.07 0.46 -0.75 4.39 4.05 1lp3A1 THR 430 HB 0.06 -0.02 0.08 -0.04 4.32 4.40 1lp3A1 THR 430 HG23 0.15 -0.03 0.11 -0.04 1.22 1.40 1lp3A1 THR 431 H 0.08 0.65 -0.01 -0.55 8.28 8.45 1lp3A1 THR 431 HA 0.06 0.13 1.09 -0.75 4.39 4.92 1lp3A1 THR 431 HB 0.11 0.06 0.01 -0.04 4.32 4.45 1lp3A1 THR 431 HG23 -0.02 -0.02 -0.22 -0.04 1.22 0.92 1lp3A1 ASN 432 H 0.11 0.04 0.08 -0.55 8.53 8.21 1lp3A1 ASN 432 HA 0.16 0.12 0.94 -0.75 4.76 5.23 1lp3A1 ASN 432 HB2 0.10 -0.27 0.06 -0.04 2.88 2.73 1lp3A1 ASN 432 HB3 0.10 0.32 0.20 -0.04 2.79 3.38 1lp3A1 ASN 432 HD21 0.33 0.50 0.24 -0.04 7.03 8.06 1lp3A1 ASN 432 HD22 0.14 0.48 -0.00 -0.04 7.74 8.32 1lp3A1 PRO 433 HA 0.03 0.04 0.36 -0.51 4.44 4.36 1lp3A1 PRO 433 HB2 0.12 -0.01 -0.20 -0.04 2.28 2.15 1lp3A1 PRO 433 HB3 0.10 0.07 -0.01 -0.04 2.02 2.14 1lp3A1 PRO 433 HG2 0.37 0.08 -0.23 -0.04 2.03 2.22 1lp3A1 PRO 433 HG3 0.16 0.00 -0.02 -0.04 2.03 2.13 1lp3A1 PRO 433 HD2 0.11 0.29 0.09 -0.04 3.68 4.13 1lp3A1 PRO 433 HD3 0.17 0.05 0.22 -0.04 3.65 4.05 1lp3A1 VAL 434 H 0.02 0.17 0.09 -0.55 8.24 7.97 1lp3A1 VAL 434 HA 0.04 0.21 0.66 -0.75 4.13 4.28 1lp3A1 VAL 434 HB 0.02 -0.03 0.08 -0.04 2.12 2.15 1lp3A1 VAL 434 HG13 0.04 -0.09 -0.24 -0.04 0.97 0.64 1lp3A1 VAL 434 HG23 0.03 -0.00 -0.07 -0.04 0.95 0.86 1lp3A1 ALA 435 H 0.04 0.68 0.04 -0.55 8.40 8.62 1lp3A1 ALA 435 HA 0.05 0.05 0.26 -0.75 4.34 3.94 1lp3A1 ALA 435 HB3 0.06 0.01 0.08 -0.04 1.41 1.51 1lp3A1 THR 436 H 0.02 0.05 -0.25 -0.55 8.28 7.55 1lp3A1 THR 436 HA -0.02 0.21 0.48 -0.75 4.39 4.31 1lp3A1 THR 436 HB -0.08 -0.03 -0.00 -0.04 4.32 4.16 1lp3A1 THR 436 HG23 -0.02 0.00 -0.29 -0.04 1.22 0.87 1lp3A1 GLU 437 H -0.00 0.25 -0.29 -0.55 8.60 8.01 1lp3A1 GLU 437 HA -0.03 0.11 1.08 -0.75 4.29 4.70 1lp3A1 GLU 437 HB2 -0.01 -0.04 0.07 -0.04 2.09 2.07 1lp3A1 GLU 437 HB3 -0.02 0.05 0.01 -0.04 1.99 1.99 1lp3A1 GLU 437 HG2 -0.05 0.01 -0.05 -0.04 2.34 2.21 1lp3A1 GLU 437 HG3 -0.06 -0.06 -0.42 -0.04 2.34 1.76 1lp3A1 GLN 438 H -0.01 0.02 0.10 -0.55 8.47 8.04 1lp3A1 GLN 438 HA 0.03 0.00 0.37 -0.75 4.36 4.01 1lp3A1 GLN 438 HB2 0.02 0.17 -0.15 -0.04 2.15 2.15 1lp3A1 GLN 438 HB3 -0.01 -0.07 0.02 -0.04 2.02 1.93 1lp3A1 GLN 438 HG2 0.02 0.07 -0.38 -0.04 2.40 2.06 1lp3A1 GLN 438 HG3 0.00 -0.10 0.01 -0.04 2.39 2.26 1lp3A1 GLN 438 HE21 -0.02 -0.05 -0.09 -0.04 6.97 6.77 1lp3A1 GLN 438 HE22 -0.02 0.08 -0.22 -0.04 7.69 7.48 1lp3A1 TYR 439 H 0.16 0.30 0.22 -0.55 8.29 8.43 1lp3A1 TYR 439 HA 0.00 0.12 0.47 -0.75 4.56 4.40 1lp3A1 TYR 439 HB2 -0.01 -0.04 0.02 -0.04 3.06 2.99 1lp3A1 TYR 439 HB3 -0.01 -0.18 0.09 -0.04 2.98 2.84 1lp3A1 TYR 439 HD2 0.00 -0.07 -0.13 -0.04 7.15 6.92 1lp3A1 TYR 439 HE2 0.02 0.34 -0.10 -0.04 6.85 7.06 1lp3A1 GLY 440 H 0.15 0.00 -0.03 -0.55 8.43 8.01 1lp3A1 GLY 440 HA2 -0.06 0.21 0.53 -0.51 4.01 4.18 1lp3A1 GLY 440 HA3 -0.02 -0.00 0.34 -0.51 4.01 3.82 1lp3A1 SER 441 H 0.03 0.29 0.01 -0.55 8.46 8.24 1lp3A1 SER 441 HA 0.02 0.06 0.67 -0.75 4.49 4.49 1lp3A1 SER 441 HB2 0.01 -0.01 -0.17 -0.04 3.95 3.74 1lp3A1 SER 441 HB3 0.00 0.05 0.00 -0.04 3.93 3.95 1lp3A1 VAL 442 H 0.02 0.25 0.20 -0.55 8.24 8.17 1lp3A1 VAL 442 HA 0.02 0.15 0.83 -0.75 4.13 4.38 1lp3A1 VAL 442 HB 0.02 0.00 0.07 -0.04 2.12 2.17 1lp3A1 VAL 442 HG13 0.02 0.07 0.03 -0.04 0.97 1.04 1lp3A1 VAL 442 HG23 0.04 -0.01 -0.03 -0.04 0.95 0.91 1lp3A1 SER 443 H 0.01 0.13 0.16 -0.55 8.46 8.21 1lp3A1 SER 443 HA 0.01 0.06 0.61 -0.75 4.49 4.41 1lp3A1 SER 443 HB2 0.01 0.01 0.09 -0.04 3.95 4.01 1lp3A1 SER 443 HB3 0.01 -0.01 0.05 -0.04 3.93 3.94 1lp3A1 THR 444 H 0.00 0.02 -0.36 -0.55 8.28 7.39 1lp3A1 THR 444 HA 0.00 0.26 0.73 -0.75 4.39 4.63 1lp3A1 THR 444 HB -0.00 -0.23 0.14 -0.04 4.32 4.19 1lp3A1 THR 444 HG23 -0.00 0.02 -0.18 -0.04 1.22 1.02 1lp3A1 ASN 445 H 0.00 -0.09 0.09 -0.55 8.53 7.99 1lp3A1 ASN 445 HA 0.00 0.19 0.58 -0.75 4.76 4.78 1lp3A1 ASN 445 HB2 0.00 0.03 0.13 -0.04 2.88 2.99 1lp3A1 ASN 445 HB3 -0.00 -0.01 0.09 -0.04 2.79 2.82 1lp3A1 ASN 445 HD21 -0.00 0.73 0.07 -0.04 7.03 7.78 1lp3A1 ASN 445 HD22 -0.00 -0.04 -0.03 -0.04 7.74 7.63 1lp3A1 LEU 446 H 0.00 0.22 0.12 -0.55 8.37 8.16 1lp3A1 LEU 446 HA 0.00 0.15 0.82 -0.75 4.35 4.57 1lp3A1 LEU 446 HB2 0.00 -0.03 0.10 -0.04 1.64 1.67 1lp3A1 LEU 446 HB3 0.00 0.05 0.04 -0.04 1.64 1.70 1lp3A1 LEU 446 HG 0.00 -0.05 -0.03 -0.04 1.64 1.52 1lp3A1 LEU 446 HD13 0.00 -0.00 -0.01 -0.04 0.93 0.88 1lp3A1 LEU 446 HD23 0.01 0.05 -0.36 -0.04 0.89 0.54 1lp3A1 GLN 447 H 0.00 0.11 0.05 -0.55 8.47 8.09 1lp3A1 GLN 447 HA -0.00 0.19 0.45 -0.75 4.36 4.24 1lp3A1 GLN 447 HB2 -0.00 0.17 -0.00 -0.04 2.15 2.27 1lp3A1 GLN 447 HB3 -0.00 -0.11 -0.06 -0.04 2.02 1.81 1lp3A1 GLN 447 HG2 -0.00 -0.01 -0.01 -0.04 2.40 2.33 1lp3A1 GLN 447 HG3 0.00 -0.05 0.07 -0.04 2.39 2.36 1lp3A1 GLN 447 HE21 -0.00 -0.04 -0.12 -0.04 6.97 6.77 1lp3A1 GLN 447 HE22 -0.00 0.01 -0.06 -0.04 7.69 7.60 1lp3A1 ARG 448 H -0.00 0.67 0.28 -0.55 8.46 8.85 1lp3A1 ARG 448 HA -0.00 0.09 0.42 -0.75 4.34 4.09 1lp3A1 ARG 448 HB2 -0.00 -0.06 0.12 -0.04 1.90 1.92 1lp3A1 ARG 448 HB3 0.00 0.18 -0.27 -0.04 1.80 1.67 1lp3A1 ARG 448 HG2 -0.00 0.03 -0.23 -0.04 1.67 1.42 1lp3A1 ARG 448 HG3 -0.00 -0.26 -0.25 -0.04 1.67 1.11 1lp3A1 ARG 448 HD2 -0.00 -0.02 -0.07 -0.04 3.22 3.09 1lp3A1 ARG 448 HD3 -0.00 0.09 -0.13 -0.04 3.22 3.14 1lp3A1 GLY 449 H -0.00 0.16 0.11 -0.55 8.43 8.15 1lp3A1 GLY 449 HA2 -0.00 0.06 0.37 -0.51 4.01 3.92 1lp3A1 GLY 449 HA3 -0.00 0.04 0.36 -0.51 4.01 3.90 1lp3A1 ASN 450 H -0.00 0.06 -0.22 -0.55 8.53 7.83 1lp3A1 ASN 450 HA -0.00 0.15 0.57 -0.75 4.76 4.73 1lp3A1 ASN 450 HB2 -0.00 0.03 0.20 -0.04 2.88 3.07 1lp3A1 ASN 450 HB3 -0.00 -0.01 0.06 -0.04 2.79 2.80 1lp3A1 ASN 450 HD21 -0.00 0.03 0.00 -0.04 7.03 7.02 1lp3A1 ASN 450 HD22 -0.00 -0.07 0.04 -0.04 7.74 7.67 1lp3A1 ARG 451 H -0.00 0.66 -0.60 -0.55 8.46 7.97 1lp3A1 ARG 451 HA -0.00 -0.00 0.62 -0.75 4.34 4.20 1lp3A1 ARG 451 HB2 -0.00 0.03 -0.41 -0.04 1.90 1.49 1lp3A1 ARG 451 HB3 -0.00 -0.16 0.06 -0.04 1.80 1.66 1lp3A1 ARG 451 HG2 -0.00 0.05 -0.08 -0.04 1.67 1.59 1lp3A1 ARG 451 HG3 -0.00 -0.02 0.06 -0.04 1.67 1.66 1lp3A1 ARG 451 HD2 -0.00 -0.04 0.02 -0.04 3.22 3.16 1lp3A1 ARG 451 HD3 -0.00 0.04 0.02 -0.04 3.22 3.24 1lp3A1 GLN 452 H -0.00 0.10 0.09 -0.55 8.47 8.10 1lp3A1 GLN 452 HA -0.00 0.05 0.42 -0.75 4.36 4.08 1lp3A1 GLN 452 HB2 -0.00 -0.02 0.09 -0.04 2.15 2.17 1lp3A1 GLN 452 HB3 -0.00 0.09 -0.05 -0.04 2.02 2.01 1lp3A1 GLN 452 HG2 -0.00 -0.01 0.03 -0.04 2.40 2.38 1lp3A1 GLN 452 HG3 -0.00 0.01 0.02 -0.04 2.39 2.38 1lp3A1 GLN 452 HE21 -0.01 0.00 0.01 -0.04 6.97 6.93 1lp3A1 GLN 452 HE22 -0.01 -0.00 0.00 -0.04 7.69 7.65 1lp3A1 ALA 453 H -0.00 0.09 0.14 -0.55 8.40 8.08 1lp3A1 ALA 453 HA -0.00 0.02 0.53 -0.75 4.34 4.14 1lp3A1 ALA 453 HB3 -0.00 0.02 0.10 -0.04 1.41 1.49 1lp3A1 ALA 454 H -0.00 0.05 0.08 -0.55 8.40 7.99 1lp3A1 ALA 454 HA -0.00 0.18 0.52 -0.75 4.34 4.29 1lp3A1 ALA 454 HB3 -0.00 -0.18 0.19 -0.04 1.41 1.37 1lp3A1 THR 455 H -0.00 0.31 0.25 -0.55 8.28 8.29 1lp3A1 THR 455 HA 0.00 0.02 0.55 -0.75 4.39 4.21 1lp3A1 THR 455 HB 0.00 0.19 0.00 -0.04 4.32 4.48 1lp3A1 THR 455 HG23 -0.00 -0.02 -0.21 -0.04 1.22 0.95 1lp3A1 ALA 456 H 0.00 0.77 0.24 -0.55 8.40 8.87 1lp3A1 ALA 456 HA -0.00 0.05 0.66 -0.75 4.34 4.30 1lp3A1 ALA 456 HB3 -0.00 0.02 -0.07 -0.04 1.41 1.32 1lp3A1 ASP 457 H -0.01 0.11 0.17 -0.55 8.40 8.14 1lp3A1 ASP 457 HA 0.01 0.19 0.77 -0.75 4.63 4.84 1lp3A1 ASP 457 HB2 -0.01 -0.05 0.12 -0.04 2.71 2.73 1lp3A1 ASP 457 HB3 -0.00 0.04 0.02 -0.04 2.70 2.71 1lp3A1 VAL 458 H 0.04 0.34 0.04 -0.55 8.24 8.10 1lp3A1 VAL 458 HA 0.00 0.18 0.90 -0.75 4.13 4.46 1lp3A1 VAL 458 HB 0.02 0.10 -0.02 -0.04 2.12 2.18 1lp3A1 VAL 458 HG13 0.10 -0.07 -0.12 -0.04 0.97 0.84 1lp3A1 VAL 458 HG23 0.04 -0.05 -0.29 -0.04 0.95 0.61 1lp3A1 ASN 459 H -0.02 0.22 0.13 -0.55 8.53 8.31 1lp3A1 ASN 459 HA -0.01 0.13 0.83 -0.75 4.76 4.96 1lp3A1 ASN 459 HB2 -0.07 0.03 0.07 -0.04 2.88 2.87 1lp3A1 ASN 459 HB3 -0.09 0.06 0.10 -0.04 2.79 2.82 1lp3A1 ASN 459 HD21 -0.03 0.01 -0.16 -0.04 7.03 6.81 1lp3A1 ASN 459 HD22 -0.03 0.02 -0.11 -0.04 7.74 7.58 1lp3A1 THR 460 H -0.03 0.07 -0.15 -0.55 8.28 7.62 1lp3A1 THR 460 HA -0.01 0.26 0.66 -0.75 4.39 4.56 1lp3A1 THR 460 HB -0.04 -0.09 0.10 -0.04 4.32 4.25 1lp3A1 THR 460 HG23 0.15 0.02 -0.15 -0.04 1.22 1.21 1lp3A1 GLN 461 H -0.10 0.39 0.09 -0.55 8.47 8.30 1lp3A1 GLN 461 HA -0.16 0.10 0.94 -0.75 4.36 4.49 1lp3A1 GLN 461 HB2 -0.36 -0.12 -0.13 -0.04 2.15 1.50 1lp3A1 GLN 461 HB3 -0.74 -0.00 0.09 -0.04 2.02 1.32 1lp3A1 GLN 461 HG2 -0.98 -0.02 -0.08 -0.04 2.40 1.27 1lp3A1 GLN 461 HG3 -0.53 0.15 -0.24 -0.04 2.39 1.72 1lp3A1 GLN 461 HE21 -0.06 -0.04 -0.02 -0.04 6.97 6.81 1lp3A1 GLN 461 HE22 -0.09 -0.01 -0.06 -0.04 7.69 7.49 1lp3A1 GLY 462 H -0.12 0.10 0.13 -0.55 8.43 7.99 1lp3A1 GLY 462 HA2 -0.16 0.11 0.64 -0.51 4.01 4.09 1lp3A1 GLY 462 HA3 -0.13 0.02 0.31 -0.51 4.01 3.70 1lp3A1 VAL 463 H -0.25 0.07 0.13 -0.55 8.24 7.64 1lp3A1 VAL 463 HA -0.20 0.05 0.30 -0.75 4.13 3.53 1lp3A1 VAL 463 HB -0.38 -0.05 0.03 -0.04 2.12 1.68 1lp3A1 VAL 463 HG13 -0.02 0.00 -0.16 -0.04 0.97 0.75 1lp3A1 VAL 463 HG23 -0.42 0.01 0.06 -0.04 0.95 0.56 1lp3A1 LEU 464 H -0.02 0.23 0.18 -0.55 8.37 8.21 1lp3A1 LEU 464 HA -0.01 0.13 0.79 -0.75 4.35 4.50 1lp3A1 LEU 464 HB2 -0.06 0.09 -0.12 -0.04 1.64 1.51 1lp3A1 LEU 464 HB3 0.05 0.01 -0.03 -0.04 1.64 1.62 1lp3A1 LEU 464 HG 0.03 0.03 0.03 -0.04 1.64 1.70 1lp3A1 LEU 464 HD13 -0.02 -0.00 0.03 -0.04 0.93 0.89 1lp3A1 LEU 464 HD23 0.03 -0.01 -0.05 -0.04 0.89 0.82 1lp3A1 PRO 465 HA 0.13 0.02 0.47 -0.51 4.44 4.55 1lp3A1 PRO 465 HB2 0.07 0.03 0.05 -0.04 2.28 2.38 1lp3A1 PRO 465 HB3 0.08 0.01 0.08 -0.04 2.02 2.16 1lp3A1 PRO 465 HG2 0.04 0.02 0.09 -0.04 2.03 2.14 1lp3A1 PRO 465 HG3 0.05 0.04 0.08 -0.04 2.03 2.16 1lp3A1 PRO 465 HD2 0.04 0.10 0.20 -0.04 3.68 3.98 1lp3A1 PRO 465 HD3 0.02 0.17 0.24 -0.04 3.65 4.03 1lp3A1 GLY 466 H 0.23 0.13 0.20 -0.55 8.43 8.44 1lp3A1 GLY 466 HA2 0.49 0.01 0.47 -0.51 4.01 4.47 1lp3A1 GLY 466 HA3 0.23 0.15 0.87 -0.51 4.01 4.75 1lp3A1 MET 467 H 0.22 0.42 -0.26 -0.55 8.47 8.31 1lp3A1 MET 467 HA 0.28 0.29 0.54 -0.75 4.52 4.87 1lp3A1 MET 467 HB2 0.25 -0.09 0.11 -0.04 2.15 2.38 1lp3A1 MET 467 HB3 0.28 0.01 -0.05 -0.04 2.03 2.23 1lp3A1 MET 467 HG2 0.20 0.03 -0.09 -0.04 2.63 2.73 1lp3A1 MET 467 HG3 0.11 0.05 0.08 -0.04 2.56 2.76 1lp3A1 MET 467 HE3 -0.13 -0.04 -0.01 -0.04 2.10 1.87 1lp3A1 VAL 468 H 0.34 0.62 0.22 -0.55 8.24 8.87 1lp3A1 VAL 468 HA 0.03 0.05 0.62 -0.75 4.13 4.08 1lp3A1 VAL 468 HB -0.17 -0.05 -0.01 -0.04 2.12 1.85 1lp3A1 VAL 468 HG13 -0.22 0.02 -0.17 -0.04 0.97 0.56 1lp3A1 VAL 468 HG23 0.04 0.02 -0.04 -0.04 0.95 0.92 1lp3A1 TRP 469 H -0.71 0.28 0.20 -0.55 7.97 7.19 1lp3A1 TRP 469 HA 0.02 0.08 0.55 -0.75 4.62 4.51 1lp3A1 TRP 469 HB2 0.02 -0.01 0.14 -0.04 3.23 3.34 1lp3A1 TRP 469 HB3 0.03 0.09 -0.35 -0.04 3.23 2.96 1lp3A1 TRP 469 HD1 -0.02 0.29 -0.40 -0.04 7.22 7.05 1lp3A1 TRP 469 HE1 -0.25 -0.01 -0.18 -0.04 10.20 9.72 1lp3A1 TRP 469 HE3 0.03 -0.06 -0.46 -0.04 7.59 7.06 1lp3A1 TRP 469 HZ2 -1.27 0.00 -0.04 -0.04 7.44 6.09 1lp3A1 TRP 469 HZ3 0.08 0.09 -0.19 -0.04 7.13 7.07 1lp3A1 TRP 469 HH2 0.08 -0.03 -0.05 -0.04 7.19 7.15 1lp3A1 GLN 470 H 0.32 0.18 0.17 -0.55 8.47 8.59 1lp3A1 GLN 470 HA -0.10 0.13 0.83 -0.75 4.36 4.46 1lp3A1 GLN 470 HB2 0.06 -0.07 0.06 -0.04 2.15 2.16 1lp3A1 GLN 470 HB3 0.05 0.00 -0.03 -0.04 2.02 2.00 1lp3A1 GLN 470 HG2 -0.19 -0.01 0.01 -0.04 2.40 2.16 1lp3A1 GLN 470 HG3 -0.18 0.08 0.08 -0.04 2.39 2.33 1lp3A1 GLN 470 HE21 -0.22 -0.01 -0.02 -0.04 6.97 6.67 1lp3A1 GLN 470 HE22 -0.69 0.06 0.02 -0.04 7.69 7.04 1lp3A1 ASP 471 H 0.01 0.11 0.17 -0.55 8.40 8.14 1lp3A1 ASP 471 HA 0.24 0.16 0.78 -0.75 4.63 5.05 1lp3A1 ASP 471 HB2 0.09 -0.03 0.10 -0.04 2.71 2.83 1lp3A1 ASP 471 HB3 0.16 0.11 0.07 -0.04 2.70 3.01 1lp3A1 ARG 472 H 0.14 0.15 0.15 -0.55 8.46 8.35 1lp3A1 ARG 472 HA 0.12 -0.12 0.31 -0.75 4.34 3.89 1lp3A1 ARG 472 HB2 0.15 0.11 -0.03 -0.04 1.90 2.09 1lp3A1 ARG 472 HB3 0.15 -0.05 0.03 -0.04 1.80 1.89 1lp3A1 ARG 472 HG2 0.11 -0.17 0.17 -0.04 1.67 1.74 1lp3A1 ARG 472 HG3 0.12 -0.02 0.14 -0.04 1.67 1.86 1lp3A1 ARG 472 HD2 0.08 -0.04 0.12 -0.04 3.22 3.35 1lp3A1 ARG 472 HD3 0.09 0.28 0.10 -0.04 3.22 3.65 1lp3A1 ASP 473 H 0.12 -0.06 0.14 -0.55 8.40 8.05 1lp3A1 ASP 473 HA 0.24 0.15 0.36 -0.75 4.63 4.62 1lp3A1 ASP 473 HB2 -0.01 0.02 0.18 -0.04 2.71 2.86 1lp3A1 ASP 473 HB3 -0.21 -0.01 0.06 -0.04 2.70 2.50 1lp3A1 VAL 474 H -0.19 -0.08 0.07 -0.55 8.24 7.50 1lp3A1 VAL 474 HA 0.06 0.60 1.79 -0.75 4.13 5.83 1lp3A1 VAL 474 HB -0.11 0.05 -0.27 -0.04 2.12 1.74 1lp3A1 VAL 474 HG13 -0.06 0.05 -0.11 -0.04 0.97 0.81 1lp3A1 VAL 474 HG23 -0.53 -0.04 -0.05 -0.04 0.95 0.28 1lp3A1 TYR 475 H -0.24 -0.07 -0.06 -0.55 8.29 7.37 1lp3A1 TYR 475 HA 0.07 0.45 0.55 -0.75 4.56 4.87 1lp3A1 TYR 475 HB2 0.19 0.35 0.01 -0.04 3.06 3.56 1lp3A1 TYR 475 HB3 -0.08 -0.15 -0.13 -0.04 2.98 2.58 1lp3A1 TYR 475 HD2 0.12 0.14 -0.53 -0.04 7.15 6.84 1lp3A1 TYR 475 HE2 0.11 0.04 -0.19 -0.04 6.85 6.77 1lp3A1 LEU 476 H -0.39 0.44 0.25 -0.55 8.37 8.13 1lp3A1 LEU 476 HA -1.87 0.06 0.25 -0.75 4.35 2.04 1lp3A1 LEU 476 HB2 -2.34 0.05 0.11 -0.04 1.64 -0.58 1lp3A1 LEU 476 HB3 -0.63 -0.12 0.18 -0.04 1.64 1.03 1lp3A1 LEU 476 HG -0.26 0.02 -0.37 -0.04 1.64 0.99 1lp3A1 LEU 476 HD13 -0.56 0.03 -0.16 -0.04 0.93 0.19 1lp3A1 LEU 476 HD23 -0.40 -0.00 -0.04 -0.04 0.89 0.40 1lp3A1 GLN 477 H -0.24 0.02 -0.24 -0.55 8.47 7.46 1lp3A1 GLN 477 HA -0.37 0.07 0.87 -0.75 4.36 4.18 1lp3A1 GLN 477 HB2 0.03 0.04 0.17 -0.04 2.15 2.36 1lp3A1 GLN 477 HB3 0.14 -0.04 0.03 -0.04 2.02 2.11 1lp3A1 GLN 477 HG2 -0.89 0.08 -0.14 -0.04 2.40 1.40 1lp3A1 GLN 477 HG3 -0.37 0.03 -0.02 -0.04 2.39 2.00 1lp3A1 GLN 477 HE21 -0.11 0.17 0.11 -0.04 6.97 7.10 1lp3A1 GLN 477 HE22 -0.21 0.06 -0.10 -0.04 7.69 7.40 1lp3A1 GLY 478 H 0.19 0.61 -0.31 -0.55 8.43 8.37 1lp3A1 GLY 478 HA2 0.37 0.06 0.73 -0.51 4.01 4.66 1lp3A1 GLY 478 HA3 0.39 0.29 0.41 -0.51 4.01 4.59 1lp3A1 PRO 479 HA -0.11 0.24 0.59 -0.51 4.44 4.65 1lp3A1 PRO 479 HB2 0.05 0.22 -0.13 -0.04 2.28 2.38 1lp3A1 PRO 479 HB3 -0.07 -0.06 0.15 -0.04 2.02 2.00 1lp3A1 PRO 479 HG2 0.03 0.14 0.05 -0.04 2.03 2.21 1lp3A1 PRO 479 HG3 -0.01 -0.06 0.11 -0.04 2.03 2.03 1lp3A1 PRO 479 HD2 0.19 0.26 0.19 -0.04 3.68 4.28 1lp3A1 PRO 479 HD3 0.14 0.04 0.25 -0.04 3.65 4.04 1lp3A1 ILE 480 H -0.26 0.00 0.21 -0.55 8.25 7.66 1lp3A1 ILE 480 HA -0.46 0.22 0.75 -0.75 4.18 3.93 1lp3A1 ILE 480 HB 0.17 -0.07 0.01 -0.04 1.89 1.96 1lp3A1 ILE 480 HG12 -1.30 0.04 -0.27 -0.04 1.49 -0.08 1lp3A1 ILE 480 HG13 -0.31 0.01 -0.66 -0.04 1.21 0.21 1lp3A1 ILE 480 HG23 0.28 -0.00 -0.09 -0.04 0.93 1.08 1lp3A1 ILE 480 HD13 0.32 0.05 -0.28 -0.04 0.88 0.92 1lp3A1 TRP 481 H -0.24 0.04 0.25 -0.55 7.97 7.48 1lp3A1 TRP 481 HA 0.23 0.09 0.74 -0.75 4.62 4.92 1lp3A1 TRP 481 HB2 0.22 0.09 0.19 -0.04 3.23 3.70 1lp3A1 TRP 481 HB3 0.23 0.01 -0.30 -0.04 3.23 3.13 1lp3A1 TRP 481 HD1 0.17 -0.01 -0.32 -0.04 7.22 7.02 1lp3A1 TRP 481 HE1 0.33 0.04 -0.21 -0.04 10.20 10.32 1lp3A1 TRP 481 HE3 0.13 -0.01 -0.20 -0.04 7.59 7.47 1lp3A1 TRP 481 HZ2 -0.06 0.10 -0.10 -0.04 7.44 7.34 1lp3A1 TRP 481 HZ3 0.25 0.09 -0.13 -0.04 7.13 7.30 1lp3A1 TRP 481 HH2 -0.26 -0.03 -0.18 -0.04 7.19 6.68 1lp3A1 ALA 482 H 0.60 0.40 0.31 -0.55 8.40 9.17 1lp3A1 ALA 482 HA 0.30 -0.02 0.55 -0.75 4.34 4.42 1lp3A1 ALA 482 HB3 0.12 0.07 -0.08 -0.04 1.41 1.49 1lp3A1 LYS 483 H 0.28 0.16 0.09 -0.55 8.42 8.39 1lp3A1 LYS 483 HA -0.01 0.25 0.70 -0.75 4.32 4.51 1lp3A1 LYS 483 HB2 -0.65 -0.06 -0.01 -0.04 1.87 1.11 1lp3A1 LYS 483 HB3 -0.02 -0.02 0.09 -0.04 1.79 1.80 1lp3A1 LYS 483 HG2 -0.08 -0.11 -0.37 -0.04 1.46 0.85 1lp3A1 LYS 483 HG3 -0.19 0.29 -0.26 -0.04 1.46 1.26 1lp3A1 LYS 483 HD2 -0.46 0.09 -0.00 -0.04 1.69 1.27 1lp3A1 LYS 483 HD3 -0.65 -0.12 -0.03 -0.04 1.68 0.85 1lp3A1 LYS 483 HE2 -0.15 -0.01 0.03 -0.04 2.99 2.81 1lp3A1 LYS 483 HE3 -0.04 -0.11 -0.01 -0.04 2.99 2.80 1lp3A1 ILE 484 H -0.10 0.81 0.30 -0.55 8.25 8.72 1lp3A1 ILE 484 HA -0.07 0.06 0.48 -0.75 4.18 3.90 1lp3A1 ILE 484 HB -0.22 -0.06 -0.03 -0.04 1.89 1.55 1lp3A1 ILE 484 HG12 -0.22 -0.08 -0.12 -0.04 1.49 1.03 1lp3A1 ILE 484 HG13 -0.11 0.06 -0.06 -0.04 1.21 1.06 1lp3A1 ILE 484 HG23 -0.58 -0.00 -0.22 -0.04 0.93 0.09 1lp3A1 ILE 484 HD13 -0.05 -0.00 -0.44 -0.04 0.88 0.35 1lp3A1 PRO 485 HA 0.03 0.02 0.36 -0.51 4.44 4.34 1lp3A1 PRO 485 HB2 0.07 -0.05 -0.06 -0.04 2.28 2.19 1lp3A1 PRO 485 HB3 0.06 0.01 0.03 -0.04 2.02 2.07 1lp3A1 PRO 485 HG2 0.04 -0.00 0.06 -0.04 2.03 2.09 1lp3A1 PRO 485 HG3 0.04 0.11 0.09 -0.04 2.03 2.24 1lp3A1 PRO 485 HD2 -0.04 0.01 0.16 -0.04 3.68 3.77 1lp3A1 PRO 485 HD3 -0.01 0.27 0.33 -0.04 3.65 4.20 1lp3A1 HIS 486 H 0.13 0.11 0.12 -0.55 8.41 8.23 1lp3A1 HIS 486 HA 0.05 0.13 0.56 -0.75 4.63 4.62 1lp3A1 HIS 486 HB2 -0.02 0.07 0.14 -0.04 3.26 3.42 1lp3A1 HIS 486 HB3 0.02 -0.05 0.23 -0.04 3.20 3.36 1lp3A1 HIS 486 HD2 0.02 -0.04 -0.01 -0.04 6.97 6.89 1lp3A1 HIS 486 HE1 0.01 -0.02 -0.05 -0.04 7.75 7.64 1lp3A1 THR 487 H 0.18 0.38 0.18 -0.55 8.28 8.47 1lp3A1 THR 487 HA -0.11 0.24 1.06 -0.75 4.39 4.83 1lp3A1 THR 487 HB -0.05 -0.21 -0.02 -0.04 4.32 4.00 1lp3A1 THR 487 HG23 0.02 0.00 -0.17 -0.04 1.22 1.04 1lp3A1 ASP 488 H -0.10 0.16 0.14 -0.55 8.40 8.05 1lp3A1 ASP 488 HA -0.15 0.07 0.30 -0.75 4.63 4.09 1lp3A1 ASP 488 HB2 -0.07 -0.01 0.12 -0.04 2.71 2.71 1lp3A1 ASP 488 HB3 -0.08 0.01 0.04 -0.04 2.70 2.64 1lp3A1 GLY 489 H -0.17 0.06 -0.58 -0.55 8.43 7.19 1lp3A1 GLY 489 HA2 -0.33 0.10 0.57 -0.51 4.01 3.84 1lp3A1 GLY 489 HA3 -0.12 0.00 0.22 -0.51 4.01 3.60 1lp3A1 HIS 490 H -0.26 0.23 0.15 -0.55 8.41 7.98 1lp3A1 HIS 490 HA 0.05 0.20 0.83 -0.75 4.63 4.95 1lp3A1 HIS 490 HB2 0.01 -0.06 -0.24 -0.04 3.26 2.94 1lp3A1 HIS 490 HB3 0.03 0.05 -0.05 -0.04 3.20 3.19 1lp3A1 HIS 490 HD2 -0.02 -0.04 -0.05 -0.04 6.97 6.82 1lp3A1 HIS 490 HE1 -0.06 -0.22 0.11 -0.04 7.75 7.53 1lp3A1 PHE 491 H 0.25 0.30 -0.03 -0.55 8.34 8.31 1lp3A1 PHE 491 HA 0.12 0.24 1.20 -0.75 4.62 5.42 1lp3A1 PHE 491 HB2 0.05 -0.00 -0.12 -0.04 3.15 3.03 1lp3A1 PHE 491 HB3 0.05 0.02 0.10 -0.04 3.06 3.19 1lp3A1 PHE 491 HD2 0.05 0.03 -0.03 -0.04 7.28 7.29 1lp3A1 PHE 491 HE2 -0.01 -0.00 -0.04 -0.04 7.38 7.29 1lp3A1 PHE 491 HZ 0.23 0.00 -0.05 -0.04 7.32 7.46 1lp3A1 HIS 492 H -0.37 0.12 0.01 -0.55 8.41 7.63 1lp3A1 HIS 492 HA -0.21 0.03 0.35 -0.75 4.63 4.04 1lp3A1 HIS 492 HB2 -1.00 -0.04 -0.02 -0.04 3.26 2.17 1lp3A1 HIS 492 HB3 -0.35 0.15 0.05 -0.04 3.20 3.01 1lp3A1 HIS 492 HD2 0.13 0.02 -0.05 -0.04 6.97 7.03 1lp3A1 HIS 492 HE1 -0.14 0.02 -0.00 -0.04 7.75 7.58 1lp3A1 PRO 493 HA 0.06 0.21 0.34 -0.51 4.44 4.54 1lp3A1 PRO 493 HB2 -0.06 0.03 -0.05 -0.04 2.28 2.17 1lp3A1 PRO 493 HB3 -0.07 0.04 0.00 -0.04 2.02 1.95 1lp3A1 PRO 493 HG2 -0.09 0.05 -0.08 -0.04 2.03 1.87 1lp3A1 PRO 493 HG3 -0.00 -0.02 -0.22 -0.04 2.03 1.75 1lp3A1 PRO 493 HD2 -0.12 0.13 0.07 -0.04 3.68 3.72 1lp3A1 PRO 493 HD3 -0.07 -0.05 -0.04 -0.04 3.65 3.46 1lp3A1 SER 494 H 0.07 0.08 -0.38 -0.55 8.46 7.69 1lp3A1 SER 494 HA 0.08 -0.00 0.44 -0.75 4.49 4.25 1lp3A1 SER 494 HB2 0.20 -0.09 0.09 -0.04 3.95 4.11 1lp3A1 SER 494 HB3 0.21 0.02 -0.00 -0.04 3.93 4.11 1lp3A1 PRO 495 HA 0.09 0.01 0.31 -0.51 4.44 4.34 1lp3A1 PRO 495 HB2 0.10 0.07 -0.40 -0.04 2.28 2.02 1lp3A1 PRO 495 HB3 0.10 0.02 -0.12 -0.04 2.02 1.98 1lp3A1 PRO 495 HG2 0.18 0.02 -0.66 -0.04 2.03 1.53 1lp3A1 PRO 495 HG3 0.14 0.06 -0.21 -0.04 2.03 1.98 1lp3A1 PRO 495 HD2 0.11 0.23 -0.39 -0.04 3.68 3.59 1lp3A1 PRO 495 HD3 0.12 -0.04 -0.05 -0.04 3.65 3.64 1lp3A1 LEU 496 H 0.08 0.12 0.12 -0.55 8.37 8.15 1lp3A1 LEU 496 HA 0.08 0.06 0.47 -0.75 4.35 4.21 1lp3A1 LEU 496 HB2 0.06 -0.08 0.12 -0.04 1.64 1.70 1lp3A1 LEU 496 HB3 0.05 0.22 -0.07 -0.04 1.64 1.80 1lp3A1 LEU 496 HG 0.07 -0.06 0.08 -0.04 1.64 1.69 1lp3A1 LEU 496 HD13 0.05 -0.01 0.01 -0.04 0.93 0.94 1lp3A1 LEU 496 HD23 0.03 0.01 -0.19 -0.04 0.89 0.69 1lp3A1 MET 497 H 0.06 0.06 -0.18 -0.55 8.47 7.86 1lp3A1 MET 497 HA 0.04 0.06 0.53 -0.75 4.52 4.40 1lp3A1 MET 497 HB2 0.03 -0.04 0.03 -0.04 2.15 2.13 1lp3A1 MET 497 HB3 0.03 0.05 0.04 -0.04 2.03 2.11 1lp3A1 MET 497 HG2 -0.02 -0.03 0.02 -0.04 2.63 2.56 1lp3A1 MET 497 HG3 -0.00 0.01 -0.05 -0.04 2.56 2.48 1lp3A1 MET 497 HE3 -0.05 -0.01 -0.10 -0.04 2.10 1.90 1lp3A1 GLY 498 H 0.09 0.19 -0.93 -0.55 8.43 7.23 1lp3A1 GLY 498 HA2 0.11 0.02 0.27 -0.51 4.01 3.89 1lp3A1 GLY 498 HA3 0.14 0.18 0.50 -0.51 4.01 4.32 1lp3A1 GLY 499 H 0.03 0.17 0.09 -0.55 8.43 8.18 1lp3A1 GLY 499 HA2 0.08 0.04 0.18 -0.51 4.01 3.80 1lp3A1 GLY 499 HA3 0.17 0.14 0.57 -0.51 4.01 4.38 1lp3A1 PHE 500 H 0.47 0.46 0.23 -0.55 8.34 8.96 1lp3A1 PHE 500 HA 0.14 0.14 0.93 -0.75 4.62 5.07 1lp3A1 PHE 500 HB2 0.26 -0.05 0.19 -0.04 3.15 3.52 1lp3A1 PHE 500 HB3 0.14 0.02 -0.01 -0.04 3.06 3.17 1lp3A1 PHE 500 HD2 0.23 0.22 0.11 -0.04 7.28 7.79 1lp3A1 PHE 500 HE2 0.33 0.06 0.08 -0.04 7.38 7.80 1lp3A1 PHE 500 HZ -0.32 0.05 0.08 -0.04 7.32 7.09 1lp3A1 GLY 501 H 0.19 0.14 0.12 -0.55 8.43 8.34 1lp3A1 GLY 501 HA2 0.16 0.17 0.71 -0.51 4.01 4.54 1lp3A1 GLY 501 HA3 0.08 0.17 0.28 -0.51 4.01 4.04 1lp3A1 LEU 502 H 0.16 0.71 0.32 -0.55 8.37 9.01 1lp3A1 LEU 502 HA 0.02 0.15 0.89 -0.75 4.35 4.65 1lp3A1 LEU 502 HB2 0.04 0.01 -0.10 -0.04 1.64 1.56 1lp3A1 LEU 502 HB3 -0.01 -0.06 -0.34 -0.04 1.64 1.19 1lp3A1 LEU 502 HG 0.18 0.02 -0.35 -0.04 1.64 1.45 1lp3A1 LEU 502 HD13 -0.21 -0.02 -0.09 -0.04 0.93 0.57 1lp3A1 LEU 502 HD23 0.13 0.02 -0.07 -0.04 0.89 0.93 1lp3A1 LYS 503 H -0.11 0.14 0.10 -0.55 8.42 7.99 1lp3A1 LYS 503 HA -0.26 0.14 0.53 -0.75 4.32 3.97 1lp3A1 LYS 503 HB2 -0.21 0.01 0.10 -0.04 1.87 1.73 1lp3A1 LYS 503 HB3 -0.45 -0.05 0.11 -0.04 1.79 1.35 1lp3A1 LYS 503 HG2 -0.38 -0.03 -0.02 -0.04 1.46 0.98 1lp3A1 LYS 503 HG3 -0.66 0.05 -0.10 -0.04 1.46 0.71 1lp3A1 LYS 503 HD2 -0.23 0.09 0.02 -0.04 1.69 1.53 1lp3A1 LYS 503 HD3 -0.16 -0.03 -0.02 -0.04 1.68 1.43 1lp3A1 LYS 503 HE2 0.00 -0.04 -0.03 -0.04 2.99 2.88 1lp3A1 LYS 503 HE3 -0.07 -0.01 -0.03 -0.04 2.99 2.84 1lp3A1 HIS 504 H -0.18 0.05 -0.08 -0.55 8.41 7.65 1lp3A1 HIS 504 HA -0.70 0.23 0.76 -0.75 4.63 4.17 1lp3A1 HIS 504 HB2 -0.11 -0.04 0.19 -0.04 3.26 3.27 1lp3A1 HIS 504 HB3 -0.24 0.06 0.04 -0.04 3.20 3.02 1lp3A1 HIS 504 HD2 -0.11 -0.03 0.01 -0.04 6.97 6.80 1lp3A1 HIS 504 HE1 -0.12 -0.00 -0.05 -0.04 7.75 7.53 1lp3A1 PRO 505 HA -0.14 0.06 0.35 -0.51 4.44 4.20 1lp3A1 PRO 505 HB2 0.29 0.08 -0.32 -0.04 2.28 2.28 1lp3A1 PRO 505 HB3 -0.06 -0.03 -0.14 -0.04 2.02 1.75 1lp3A1 PRO 505 HG2 -0.56 0.00 -0.14 -0.04 2.03 1.29 1lp3A1 PRO 505 HG3 -0.09 0.16 -0.24 -0.04 2.03 1.82 1lp3A1 PRO 505 HD2 -0.19 0.07 -0.06 -0.04 3.68 3.46 1lp3A1 PRO 505 HD3 -0.37 0.41 -0.30 -0.04 3.65 3.35 1lp3A1 PRO 506 HA -0.69 0.06 0.22 -0.51 4.44 3.51 1lp3A1 PRO 506 HB2 -0.00 -0.02 -0.01 -0.04 2.28 2.20 1lp3A1 PRO 506 HB3 -0.35 0.02 -0.07 -0.04 2.02 1.59 1lp3A1 PRO 506 HG2 -2.04 0.01 -0.07 -0.04 2.03 -0.10 1lp3A1 PRO 506 HG3 -1.52 0.03 -0.07 -0.04 2.03 0.44 1lp3A1 PRO 506 HD2 -1.31 0.07 0.00 -0.04 3.68 2.40 1lp3A1 PRO 506 HD3 -0.90 0.11 0.09 -0.04 3.65 2.91 1lp3A1 PRO 507 HA -0.03 0.02 0.19 -0.51 4.44 4.12 1lp3A1 PRO 507 HB2 -0.30 -0.11 -0.28 -0.04 2.28 1.55 1lp3A1 PRO 507 HB3 -0.40 0.08 -0.02 -0.04 2.02 1.64 1lp3A1 PRO 507 HG2 -0.19 0.01 -0.16 -0.04 2.03 1.65 1lp3A1 PRO 507 HG3 -0.40 0.02 -0.06 -0.04 2.03 1.54 1lp3A1 PRO 507 HD2 0.07 0.03 -0.06 -0.04 3.68 3.68 1lp3A1 PRO 507 HD3 0.19 0.16 0.08 -0.04 3.65 4.04 1lp3A1 GLN 508 H -0.03 0.08 0.07 -0.55 8.47 8.04 1lp3A1 GLN 508 HA -0.08 0.11 0.46 -0.75 4.36 4.09 1lp3A1 GLN 508 HB2 -0.28 -0.11 0.08 -0.04 2.15 1.80 1lp3A1 GLN 508 HB3 -0.30 0.04 0.01 -0.04 2.02 1.73 1lp3A1 GLN 508 HG2 -0.17 0.06 0.04 -0.04 2.40 2.29 1lp3A1 GLN 508 HG3 0.01 0.03 0.02 -0.04 2.39 2.41 1lp3A1 GLN 508 HE21 -0.28 -0.01 0.07 -0.04 6.97 6.70 1lp3A1 GLN 508 HE22 -0.31 0.07 0.04 -0.04 7.69 7.45 1lp3A1 ILE 509 H -0.00 0.23 0.23 -0.55 8.25 8.16 1lp3A1 ILE 509 HA -0.23 0.13 1.03 -0.75 4.18 4.35 1lp3A1 ILE 509 HB 0.17 -0.06 0.13 -0.04 1.89 2.09 1lp3A1 ILE 509 HG12 -0.39 -0.02 -0.12 -0.04 1.49 0.92 1lp3A1 ILE 509 HG13 -0.02 0.00 -0.19 -0.04 1.21 0.96 1lp3A1 ILE 509 HG23 -0.07 0.01 -0.24 -0.04 0.93 0.59 1lp3A1 ILE 509 HD13 0.17 -0.01 -0.06 -0.04 0.88 0.93 1lp3A1 LEU 510 H -0.49 0.70 0.32 -0.55 8.37 8.35 1lp3A1 LEU 510 HA 0.01 0.28 1.20 -0.75 4.35 5.08 1lp3A1 LEU 510 HB2 -1.13 0.03 0.01 -0.04 1.64 0.50 1lp3A1 LEU 510 HB3 0.02 -0.02 -0.04 -0.04 1.64 1.56 1lp3A1 LEU 510 HG -0.30 0.07 -0.53 -0.04 1.64 0.84 1lp3A1 LEU 510 HD13 -0.94 -0.03 -0.25 -0.04 0.93 -0.33 1lp3A1 LEU 510 HD23 -0.78 -0.01 -0.20 -0.04 0.89 -0.14 1lp3A1 ILE 511 H 0.28 0.71 0.41 -0.55 8.25 9.09 1lp3A1 ILE 511 HA 0.17 0.28 1.04 -0.75 4.18 4.91 1lp3A1 ILE 511 HB 0.19 -0.03 -0.38 -0.04 1.89 1.63 1lp3A1 ILE 511 HG12 -0.02 -0.02 -0.29 -0.04 1.49 1.13 1lp3A1 ILE 511 HG13 0.02 0.12 -0.05 -0.04 1.21 1.26 1lp3A1 ILE 511 HG23 -0.16 0.04 -0.10 -0.04 0.93 0.67 1lp3A1 ILE 511 HD13 -0.03 -0.02 -0.19 -0.04 0.88 0.59 1lp3A1 LYS 512 H -0.29 0.69 0.42 -0.55 8.42 8.68 1lp3A1 LYS 512 HA -0.34 0.19 0.89 -0.75 4.32 4.30 1lp3A1 LYS 512 HB2 -1.70 -0.02 -0.16 -0.04 1.87 -0.06 1lp3A1 LYS 512 HB3 -1.92 -0.01 -0.07 -0.04 1.79 -0.25 1lp3A1 LYS 512 HG2 -0.42 0.01 -0.51 -0.04 1.46 0.49 1lp3A1 LYS 512 HG3 -0.52 0.07 -0.09 -0.04 1.46 0.86 1lp3A1 LYS 512 HD2 -1.35 -0.07 -0.19 -0.04 1.69 0.04 1lp3A1 LYS 512 HD3 -0.59 -0.03 -0.19 -0.04 1.68 0.83 1lp3A1 LYS 512 HE2 0.06 -0.05 -0.09 -0.04 2.99 2.88 1lp3A1 LYS 512 HE3 -0.12 0.05 -0.15 -0.04 2.99 2.74 1lp3A1 ASN 513 H -0.19 0.23 0.13 -0.55 8.53 8.15 1lp3A1 ASN 513 HA -0.07 0.14 1.20 -0.75 4.76 5.27 1lp3A1 ASN 513 HB2 -0.01 -0.03 0.12 -0.04 2.88 2.92 1lp3A1 ASN 513 HB3 -0.02 0.10 -0.02 -0.04 2.79 2.81 1lp3A1 ASN 513 HD21 0.05 0.07 0.01 -0.04 7.03 7.12 1lp3A1 ASN 513 HD22 0.01 -0.00 -0.18 -0.04 7.74 7.52 1lp3A1 THR 514 H -0.07 0.10 0.07 -0.55 8.28 7.83 1lp3A1 THR 514 HA -0.07 -0.03 0.33 -0.75 4.39 3.88 1lp3A1 THR 514 HB -0.02 0.03 -0.00 -0.04 4.32 4.28 1lp3A1 THR 514 HG23 0.00 -0.01 0.01 -0.04 1.22 1.17 1lp3A1 PRO 515 HA -0.30 0.09 0.49 -0.51 4.44 4.21 1lp3A1 PRO 515 HB2 -0.08 -0.04 -0.00 -0.04 2.28 2.11 1lp3A1 PRO 515 HB3 -0.97 -0.01 0.05 -0.04 2.02 1.04 1lp3A1 PRO 515 HG2 -0.23 0.02 0.09 -0.04 2.03 1.86 1lp3A1 PRO 515 HG3 -0.52 0.10 0.11 -0.04 2.03 1.68 1lp3A1 PRO 515 HD2 -0.06 0.03 0.20 -0.04 3.68 3.80 1lp3A1 PRO 515 HD3 -0.09 0.08 0.17 -0.04 3.65 3.77 1lp3A1 VAL 516 H 0.01 0.14 0.08 -0.55 8.24 7.92 1lp3A1 VAL 516 HA -0.00 0.23 0.84 -0.75 4.13 4.44 1lp3A1 VAL 516 HB 0.05 0.01 0.14 -0.04 2.12 2.28 1lp3A1 VAL 516 HG13 0.01 -0.02 -0.06 -0.04 0.97 0.85 1lp3A1 VAL 516 HG23 -0.01 0.05 -0.21 -0.04 0.95 0.75 1lp3A1 PRO 517 HA -0.54 0.01 0.32 -0.51 4.44 3.72 1lp3A1 PRO 517 HB2 -0.58 -0.01 0.06 -0.04 2.28 1.71 1lp3A1 PRO 517 HB3 -2.05 0.02 0.00 -0.04 2.02 -0.05 1lp3A1 PRO 517 HG2 -0.42 0.03 0.02 -0.04 2.03 1.62 1lp3A1 PRO 517 HG3 -0.48 0.02 -0.02 -0.04 2.03 1.51 1lp3A1 PRO 517 HD2 -0.14 0.10 0.09 -0.04 3.68 3.69 1lp3A1 PRO 517 HD3 -0.04 0.25 -0.20 -0.04 3.65 3.62 1lp3A1 ALA 518 H -0.06 0.48 0.66 -0.55 8.40 8.94 1lp3A1 ALA 518 HA 0.01 0.02 0.68 -0.75 4.34 4.30 1lp3A1 ALA 518 HB3 0.06 -0.01 -0.13 -0.04 1.41 1.29 1lp3A1 ASN 519 H 0.02 0.04 0.14 -0.55 8.53 8.19 1lp3A1 ASN 519 HA 0.05 0.06 0.37 -0.75 4.76 4.48 1lp3A1 ASN 519 HB2 0.02 -0.03 0.12 -0.04 2.88 2.95 1lp3A1 ASN 519 HB3 0.03 -0.05 0.03 -0.04 2.79 2.76 1lp3A1 ASN 519 HD21 0.01 -0.05 -0.15 -0.04 7.03 6.80 1lp3A1 ASN 519 HD22 0.02 -0.04 -0.07 -0.04 7.74 7.61 1lp3A1 PRO 520 HA 0.08 0.08 0.64 -0.51 4.44 4.73 1lp3A1 PRO 520 HB2 0.15 0.11 -0.06 -0.04 2.28 2.43 1lp3A1 PRO 520 HB3 0.53 0.02 0.02 -0.04 2.02 2.54 1lp3A1 PRO 520 HG2 0.09 0.02 -0.05 -0.04 2.03 2.04 1lp3A1 PRO 520 HG3 0.10 0.05 -0.04 -0.04 2.03 2.10 1lp3A1 PRO 520 HD2 0.06 0.05 0.14 -0.04 3.68 3.89 1lp3A1 PRO 520 HD3 0.06 0.08 0.12 -0.04 3.65 3.86 1lp3A1 SER 521 H -0.05 0.11 0.13 -0.55 8.46 8.10 1lp3A1 SER 521 HA -0.00 0.08 0.54 -0.75 4.49 4.36 1lp3A1 SER 521 HB2 -0.03 -0.07 0.12 -0.04 3.95 3.93 1lp3A1 SER 521 HB3 -0.06 0.01 0.12 -0.04 3.93 3.96 1lp3A1 THR 522 H 0.01 0.09 0.17 -0.55 8.28 8.00 1lp3A1 THR 522 HA 0.03 0.09 0.36 -0.75 4.39 4.12 1lp3A1 THR 522 HB 0.02 -0.02 -0.07 -0.04 4.32 4.21 1lp3A1 THR 522 HG23 0.02 -0.00 0.02 -0.04 1.22 1.22 1lp3A1 THR 523 H 0.01 0.01 -0.12 -0.55 8.28 7.64 1lp3A1 THR 523 HA 0.06 0.11 0.85 -0.75 4.39 4.66 1lp3A1 THR 523 HB 0.02 -0.03 0.05 -0.04 4.32 4.33 1lp3A1 THR 523 HG23 -0.01 -0.02 0.05 -0.04 1.22 1.21 1lp3A1 PHE 524 H 0.20 0.06 0.13 -0.55 8.34 8.18 1lp3A1 PHE 524 HA -0.00 0.11 0.30 -0.75 4.62 4.27 1lp3A1 PHE 524 HB2 0.00 0.03 0.11 -0.04 3.15 3.26 1lp3A1 PHE 524 HB3 -0.00 -0.05 0.05 -0.04 3.06 3.02 1lp3A1 PHE 524 HD2 0.01 0.01 -0.10 -0.04 7.28 7.16 1lp3A1 PHE 524 HE2 0.02 0.01 -0.07 -0.04 7.38 7.29 1lp3A1 PHE 524 HZ 0.01 0.02 -0.09 -0.04 7.32 7.22 1lp3A1 SER 525 H -1.23 0.31 0.16 -0.55 8.46 7.16 1lp3A1 SER 525 HA -0.46 0.05 0.60 -0.75 4.49 3.93 1lp3A1 SER 525 HB2 -0.23 0.12 0.03 -0.04 3.95 3.83 1lp3A1 SER 525 HB3 -0.33 0.04 0.06 -0.04 3.93 3.65 1lp3A1 ALA 526 H -0.32 0.15 0.09 -0.55 8.40 7.77 1lp3A1 ALA 526 HA -0.27 0.23 0.67 -0.75 4.34 4.23 1lp3A1 ALA 526 HB3 0.12 -0.00 0.10 -0.04 1.41 1.58 1lp3A1 ALA 527 H -0.23 -0.01 -0.46 -0.55 8.40 7.16 1lp3A1 ALA 527 HA -0.05 0.08 0.55 -0.75 4.34 4.16 1lp3A1 ALA 527 HB3 -0.11 -0.00 0.05 -0.04 1.41 1.30 1lp3A1 LYS 528 H -0.01 0.05 0.13 -0.55 8.42 8.04 1lp3A1 LYS 528 HA 0.06 0.06 0.47 -0.75 4.32 4.16 1lp3A1 LYS 528 HB2 0.06 -0.02 0.12 -0.04 1.87 2.00 1lp3A1 LYS 528 HB3 0.05 -0.04 0.07 -0.04 1.79 1.83 1lp3A1 LYS 528 HG2 0.16 0.26 -0.15 -0.04 1.46 1.69 1lp3A1 LYS 528 HG3 0.15 -0.05 0.09 -0.04 1.46 1.60 1lp3A1 LYS 528 HD2 0.11 -0.05 0.03 -0.04 1.69 1.74 1lp3A1 LYS 528 HD3 0.13 -0.01 -0.01 -0.04 1.68 1.75 1lp3A1 LYS 528 HE2 0.22 0.11 0.01 -0.04 2.99 3.29 1lp3A1 LYS 528 HE3 0.17 -0.03 0.04 -0.04 2.99 3.13 1lp3A1 PHE 529 H 0.20 0.10 0.16 -0.55 8.34 8.25 1lp3A1 PHE 529 HA -0.13 0.04 0.54 -0.75 4.62 4.32 1lp3A1 PHE 529 HB2 -0.07 0.01 0.15 -0.04 3.15 3.21 1lp3A1 PHE 529 HB3 -0.29 0.02 -0.04 -0.04 3.06 2.71 1lp3A1 PHE 529 HD2 -0.38 -0.05 -0.06 -0.04 7.28 6.75 1lp3A1 PHE 529 HE2 -0.15 0.19 0.00 -0.04 7.38 7.38 1lp3A1 PHE 529 HZ -0.10 0.00 -0.12 -0.04 7.32 7.06 1lp3A1 ALA 530 H -0.29 0.03 0.20 -0.55 8.40 7.80 1lp3A1 ALA 530 HA 0.25 0.27 0.91 -0.75 4.34 5.01 1lp3A1 ALA 530 HB3 0.02 0.00 -0.01 -0.04 1.41 1.39 1lp3A1 SER 531 H -0.13 0.03 0.08 -0.55 8.46 7.90 1lp3A1 SER 531 HA 0.09 0.22 0.98 -0.75 4.49 5.02 1lp3A1 SER 531 HB2 0.04 0.09 0.12 -0.04 3.95 4.16 1lp3A1 SER 531 HB3 0.00 -0.00 0.06 -0.04 3.93 3.95 1lp3A1 PHE 532 H 0.48 0.28 0.05 -0.55 8.34 8.59 1lp3A1 PHE 532 HA 0.04 -0.12 1.17 -0.75 4.62 4.96 1lp3A1 PHE 532 HB2 0.11 0.09 -0.14 -0.04 3.15 3.17 1lp3A1 PHE 532 HB3 -0.05 -0.06 -0.09 -0.04 3.06 2.82 1lp3A1 PHE 532 HD2 -0.04 -0.03 -0.24 -0.04 7.28 6.93 1lp3A1 PHE 532 HE2 -0.01 0.06 -0.12 -0.04 7.38 7.27 1lp3A1 PHE 532 HZ 0.07 0.12 -0.10 -0.04 7.32 7.37 1lp3A1 ILE 533 H 0.17 0.86 0.30 -0.55 8.25 9.03 1lp3A1 ILE 533 HA 0.09 -0.03 0.45 -0.75 4.18 3.93 1lp3A1 ILE 533 HB 0.07 -0.00 0.16 -0.04 1.89 2.08 1lp3A1 ILE 533 HG12 0.04 0.03 0.02 -0.04 1.49 1.54 1lp3A1 ILE 533 HG13 0.02 -0.02 -0.02 -0.04 1.21 1.16 1lp3A1 ILE 533 HG23 0.04 -0.02 -0.30 -0.04 0.93 0.61 1lp3A1 ILE 533 HD13 0.03 -0.02 0.04 -0.04 0.88 0.88 1lp3A1 THR 534 H 0.07 0.11 0.24 -0.55 8.28 8.16 1lp3A1 THR 534 HA 0.08 0.10 0.62 -0.75 4.39 4.44 1lp3A1 THR 534 HB 0.05 0.11 0.23 -0.04 4.32 4.66 1lp3A1 THR 534 HG23 0.05 -0.04 -0.11 -0.04 1.22 1.07 1lp3A1 GLN 535 H 0.05 0.27 0.26 -0.55 8.47 8.51 1lp3A1 GLN 535 HA 0.04 -0.18 0.62 -0.75 4.36 4.08 1lp3A1 GLN 535 HB2 -0.08 0.52 0.32 -0.04 2.15 2.87 1lp3A1 GLN 535 HB3 -0.00 0.03 -0.32 -0.04 2.02 1.69 1lp3A1 GLN 535 HG2 0.04 0.02 -0.16 -0.04 2.40 2.26 1lp3A1 GLN 535 HG3 -0.00 0.01 -0.27 -0.04 2.39 2.09 1lp3A1 GLN 535 HE21 -0.01 -0.05 -0.10 -0.04 6.97 6.77 1lp3A1 GLN 535 HE22 0.00 -0.05 -0.17 -0.04 7.69 7.43 1lp3A1 TYR 536 H -0.33 0.26 0.24 -0.55 8.29 7.91 1lp3A1 TYR 536 HA -0.06 0.26 0.94 -0.75 4.56 4.95 1lp3A1 TYR 536 HB2 -0.08 0.16 0.01 -0.04 3.06 3.11 1lp3A1 TYR 536 HB3 -0.08 -0.12 -0.09 -0.04 2.98 2.65 1lp3A1 TYR 536 HD2 -0.06 0.16 -0.14 -0.04 7.15 7.06 1lp3A1 TYR 536 HE2 -0.07 -0.03 -0.15 -0.04 6.85 6.56 1lp3A1 SER 537 H 0.21 0.74 0.39 -0.55 8.46 9.24 1lp3A1 SER 537 HA -0.12 0.24 1.23 -0.75 4.49 5.09 1lp3A1 SER 537 HB2 0.14 -0.02 0.09 -0.04 3.95 4.12 1lp3A1 SER 537 HB3 0.06 0.01 -0.11 -0.04 3.93 3.85 1lp3A1 THR 538 H -0.15 0.39 0.40 -0.55 8.28 8.37 1lp3A1 THR 538 HA -0.79 0.13 0.65 -0.75 4.39 3.63 1lp3A1 THR 538 HB -0.09 0.02 0.08 -0.04 4.32 4.29 1lp3A1 THR 538 HG23 -0.16 -0.02 -0.13 -0.04 1.22 0.86 1lp3A1 GLY 539 H -1.06 0.32 0.34 -0.55 8.43 7.49 1lp3A1 GLY 539 HA2 -0.41 0.09 0.40 -0.51 4.01 3.57 1lp3A1 GLY 539 HA3 -0.49 0.13 0.77 -0.51 4.01 3.91 1lp3A1 GLN 540 H -0.38 0.39 0.23 -0.55 8.47 8.16 1lp3A1 GLN 540 HA -0.22 0.19 1.29 -0.75 4.36 4.86 1lp3A1 GLN 540 HB2 -0.40 0.04 -0.12 -0.04 2.15 1.63 1lp3A1 GLN 540 HB3 -0.09 -0.04 -0.10 -0.04 2.02 1.75 1lp3A1 GLN 540 HG2 -0.49 0.14 0.09 -0.04 2.40 2.10 1lp3A1 GLN 540 HG3 -0.04 -0.01 -0.17 -0.04 2.39 2.13 1lp3A1 GLN 540 HE21 0.10 -0.02 -0.04 -0.04 6.97 6.96 1lp3A1 GLN 540 HE22 0.20 -0.00 -0.07 -0.04 7.69 7.78 1lp3A1 VAL 541 H 0.06 0.68 0.43 -0.55 8.24 8.87 1lp3A1 VAL 541 HA -0.32 0.19 1.14 -0.75 4.13 4.39 1lp3A1 VAL 541 HB -0.26 -0.02 -0.12 -0.04 2.12 1.68 1lp3A1 VAL 541 HG13 0.21 0.04 -0.06 -0.04 0.97 1.12 1lp3A1 VAL 541 HG23 -0.77 0.00 -0.08 -0.04 0.95 0.06 1lp3A1 SER 542 H -0.38 0.67 0.42 -0.55 8.46 8.62 1lp3A1 SER 542 HA -0.26 0.31 1.15 -0.75 4.49 4.94 1lp3A1 SER 542 HB2 -0.01 -0.04 -0.10 -0.04 3.95 3.77 1lp3A1 SER 542 HB3 0.12 -0.00 0.07 -0.04 3.93 4.08 1lp3A1 VAL 543 H -0.24 0.97 0.47 -0.55 8.24 8.88 1lp3A1 VAL 543 HA -0.29 0.22 1.22 -0.75 4.13 4.52 1lp3A1 VAL 543 HB -0.32 0.07 0.11 -0.04 2.12 1.94 1lp3A1 VAL 543 HG13 -0.66 -0.02 -0.09 -0.04 0.97 0.17 1lp3A1 VAL 543 HG23 -0.48 -0.00 -0.23 -0.04 0.95 0.19 1lp3A1 GLU 544 H -0.17 0.68 0.44 -0.55 8.60 9.00 1lp3A1 GLU 544 HA -0.05 0.43 1.21 -0.75 4.29 5.13 1lp3A1 GLU 544 HB2 -0.10 -0.08 -0.02 -0.04 2.09 1.86 1lp3A1 GLU 544 HB3 -0.13 0.02 0.10 -0.04 1.99 1.94 1lp3A1 GLU 544 HG2 -0.09 -0.04 -0.34 -0.04 2.34 1.82 1lp3A1 GLU 544 HG3 -0.06 -0.01 -0.24 -0.04 2.34 1.98 1lp3A1 ILE 545 H -0.01 0.56 0.27 -0.55 8.25 8.52 1lp3A1 ILE 545 HA -0.17 0.15 1.17 -0.75 4.18 4.58 1lp3A1 ILE 545 HB -0.09 0.04 0.08 -0.04 1.89 1.88 1lp3A1 ILE 545 HG12 -0.14 -0.01 -0.01 -0.04 1.49 1.29 1lp3A1 ILE 545 HG13 -0.07 -0.04 -0.61 -0.04 1.21 0.45 1lp3A1 ILE 545 HG23 -1.31 0.01 -0.27 -0.04 0.93 -0.68 1lp3A1 ILE 545 HD13 -0.23 0.00 -0.12 -0.04 0.88 0.49 1lp3A1 GLU 546 H -0.27 0.65 0.39 -0.55 8.60 8.82 1lp3A1 GLU 546 HA -0.04 0.17 0.94 -0.75 4.29 4.61 1lp3A1 GLU 546 HB2 -0.05 -0.01 0.00 -0.04 2.09 1.98 1lp3A1 GLU 546 HB3 -0.09 0.01 0.18 -0.04 1.99 2.05 1lp3A1 GLU 546 HG2 -0.04 -0.10 -0.10 -0.04 2.34 2.05 1lp3A1 GLU 546 HG3 0.00 0.10 -0.35 -0.04 2.34 2.06 1lp3A1 TRP 547 H 0.30 0.56 0.42 -0.55 7.97 8.70 1lp3A1 TRP 547 HA -0.01 0.10 1.17 -0.75 4.62 5.12 1lp3A1 TRP 547 HB2 0.00 -0.01 0.04 -0.04 3.23 3.22 1lp3A1 TRP 547 HB3 0.16 0.09 -0.05 -0.04 3.23 3.39 1lp3A1 TRP 547 HD1 -0.14 0.21 0.21 -0.04 7.22 7.45 1lp3A1 TRP 547 HE1 -0.25 0.04 -0.01 -0.04 10.20 9.95 1lp3A1 TRP 547 HE3 0.31 0.00 -0.42 -0.04 7.59 7.44 1lp3A1 TRP 547 HZ2 -0.27 0.04 -0.09 -0.04 7.44 7.09 1lp3A1 TRP 547 HZ3 0.34 0.04 -0.09 -0.04 7.13 7.38 1lp3A1 TRP 547 HH2 0.25 0.01 -0.09 -0.04 7.19 7.32 1lp3A1 GLU 548 H 0.26 0.83 0.42 -0.55 8.60 9.56 1lp3A1 GLU 548 HA 0.13 0.18 0.95 -0.75 4.29 4.80 1lp3A1 GLU 548 HB2 0.17 -0.06 0.00 -0.04 2.09 2.16 1lp3A1 GLU 548 HB3 0.32 -0.01 0.05 -0.04 1.99 2.31 1lp3A1 GLU 548 HG2 0.18 0.11 0.04 -0.04 2.34 2.64 1lp3A1 GLU 548 HG3 0.16 0.00 0.12 -0.04 2.34 2.58 1lp3A1 LEU 549 H 0.05 0.34 0.35 -0.55 8.37 8.56 1lp3A1 LEU 549 HA -0.16 0.20 1.17 -0.75 4.35 4.80 1lp3A1 LEU 549 HB2 0.04 -0.00 -0.03 -0.04 1.64 1.60 1lp3A1 LEU 549 HB3 0.01 0.01 -0.02 -0.04 1.64 1.60 1lp3A1 LEU 549 HG 0.07 -0.03 -0.53 -0.04 1.64 1.11 1lp3A1 LEU 549 HD13 0.17 -0.04 -0.36 -0.04 0.93 0.66 1lp3A1 LEU 549 HD23 0.01 0.01 -0.14 -0.04 0.89 0.74 1lp3A1 GLN 550 H -0.14 0.73 0.25 -0.55 8.47 8.77 1lp3A1 GLN 550 HA 0.11 0.11 0.84 -0.75 4.36 4.66 1lp3A1 GLN 550 HB2 -0.10 -0.03 -0.20 -0.04 2.15 1.78 1lp3A1 GLN 550 HB3 0.08 -0.06 0.01 -0.04 2.02 2.01 1lp3A1 GLN 550 HG2 0.33 0.06 -0.19 -0.04 2.40 2.56 1lp3A1 GLN 550 HG3 0.29 0.01 -0.01 -0.04 2.39 2.64 1lp3A1 GLN 550 HE21 0.29 -0.00 -0.09 -0.04 6.97 7.13 1lp3A1 GLN 550 HE22 0.59 -0.00 -0.09 -0.04 7.69 8.14 1lp3A1 LYS 551 H 0.06 0.13 0.15 -0.55 8.42 8.20 1lp3A1 LYS 551 HA -0.05 0.15 0.81 -0.75 4.32 4.47 1lp3A1 LYS 551 HB2 -0.02 -0.00 0.16 -0.04 1.87 1.96 1lp3A1 LYS 551 HB3 -0.09 0.00 0.22 -0.04 1.79 1.88 1lp3A1 LYS 551 HG2 -0.00 0.01 0.02 -0.04 1.46 1.45 1lp3A1 LYS 551 HG3 0.02 -0.02 0.09 -0.04 1.46 1.51 1lp3A1 LYS 551 HD2 -0.05 -0.00 0.11 -0.04 1.69 1.71 1lp3A1 LYS 551 HD3 0.01 0.15 0.12 -0.04 1.68 1.92 1lp3A1 LYS 551 HE2 0.01 -0.02 0.04 -0.04 2.99 2.97 1lp3A1 LYS 551 HE3 -0.02 -0.01 0.06 -0.04 2.99 2.98 1lp3A1 GLU 552 H -0.33 0.28 0.21 -0.55 8.60 8.21 1lp3A1 GLU 552 HA -2.12 0.03 0.39 -0.75 4.29 1.85 1lp3A1 GLU 552 HB2 -0.77 0.05 0.03 -0.04 2.09 1.35 1lp3A1 GLU 552 HB3 -0.51 0.04 0.06 -0.04 1.99 1.55 1lp3A1 GLU 552 HG2 -1.18 -0.83 0.26 -0.04 2.34 0.55 1lp3A1 GLU 552 HG3 -1.57 0.06 0.05 -0.04 2.34 0.83 1lp3A1 ASN 553 H -0.67 0.04 0.10 -0.55 8.53 7.46 1lp3A1 ASN 553 HA -0.09 0.05 0.32 -0.75 4.76 4.28 1lp3A1 ASN 553 HB2 0.01 0.33 0.26 -0.04 2.88 3.44 1lp3A1 ASN 553 HB3 0.23 -0.04 -0.19 -0.04 2.79 2.75 1lp3A1 ASN 553 HD21 0.08 -0.04 0.05 -0.04 7.03 7.08 1lp3A1 ASN 553 HD22 0.16 0.02 0.04 -0.04 7.74 7.91 1lp3A1 SER 554 H -0.10 0.20 0.21 -0.55 8.46 8.23 1lp3A1 SER 554 HA 0.16 0.27 1.18 -0.75 4.49 5.35 1lp3A1 SER 554 HB2 0.20 -0.03 0.16 -0.04 3.95 4.24 1lp3A1 SER 554 HB3 0.47 0.03 0.05 -0.04 3.93 4.44 1lp3A1 LYS 555 H 0.10 0.17 0.16 -0.55 8.42 8.29 1lp3A1 LYS 555 HA 0.07 0.18 0.54 -0.75 4.32 4.35 1lp3A1 LYS 555 HB2 0.08 -0.02 0.12 -0.04 1.87 2.01 1lp3A1 LYS 555 HB3 0.10 -0.00 0.15 -0.04 1.79 1.99 1lp3A1 LYS 555 HG2 0.06 0.01 -0.05 -0.04 1.46 1.44 1lp3A1 LYS 555 HG3 0.06 -0.01 0.03 -0.04 1.46 1.50 1lp3A1 LYS 555 HD2 0.09 -0.02 0.03 -0.04 1.69 1.74 1lp3A1 LYS 555 HD3 0.06 0.07 -0.01 -0.04 1.68 1.76 1lp3A1 LYS 555 HE2 0.04 0.02 -0.05 -0.04 2.99 2.95 1lp3A1 LYS 555 HE3 0.05 -0.02 -0.01 -0.04 2.99 2.97 1lp3A1 ARG 556 H 0.09 -0.06 -0.62 -0.55 8.46 7.32 1lp3A1 ARG 556 HA 0.14 -0.07 0.39 -0.75 4.34 4.05 1lp3A1 ARG 556 HB2 0.12 -0.03 0.08 -0.04 1.90 2.02 1lp3A1 ARG 556 HB3 0.07 -0.02 0.06 -0.04 1.80 1.87 1lp3A1 ARG 556 HG2 0.05 0.17 -0.36 -0.04 1.67 1.50 1lp3A1 ARG 556 HG3 0.11 -0.12 -0.11 -0.04 1.67 1.51 1lp3A1 ARG 556 HD2 0.11 -0.03 0.03 -0.04 3.22 3.29 1lp3A1 ARG 556 HD3 0.05 -0.07 -0.05 -0.04 3.22 3.11 1lp3A1 TRP 557 H 0.31 0.00 0.22 -0.55 7.97 7.95 1lp3A1 TRP 557 HA 0.00 0.12 0.50 -0.75 4.62 4.49 1lp3A1 TRP 557 HB2 0.01 0.04 0.16 -0.04 3.23 3.40 1lp3A1 TRP 557 HB3 0.01 -0.13 0.22 -0.04 3.23 3.30 1lp3A1 TRP 557 HD1 0.01 -0.04 -0.15 -0.04 7.22 7.00 1lp3A1 TRP 557 HE1 -0.00 -0.03 -0.05 -0.04 10.20 10.08 1lp3A1 TRP 557 HE3 0.00 0.05 0.02 -0.04 7.59 7.62 1lp3A1 TRP 557 HZ2 -0.00 -0.02 -0.01 -0.04 7.44 7.37 1lp3A1 TRP 557 HZ3 -0.00 -0.01 0.00 -0.04 7.13 7.08 1lp3A1 TRP 557 HH2 -0.00 -0.02 0.00 -0.04 7.19 7.12 1lp3A1 ASN 558 H 0.34 -0.04 0.06 -0.55 8.53 8.35 1lp3A1 ASN 558 HA 0.07 0.05 0.45 -0.75 4.76 4.58 1lp3A1 ASN 558 HB2 0.11 0.06 0.06 -0.04 2.88 3.07 1lp3A1 ASN 558 HB3 0.22 -0.07 0.12 -0.04 2.79 3.01 1lp3A1 ASN 558 HD21 0.12 0.01 0.00 -0.04 7.03 7.12 1lp3A1 ASN 558 HD22 0.20 -0.16 0.12 -0.04 7.74 7.86 1lp3A1 PRO 559 HA -0.06 -0.01 0.41 -0.51 4.44 4.28 1lp3A1 PRO 559 HB2 -0.01 -0.02 0.06 -0.04 2.28 2.27 1lp3A1 PRO 559 HB3 -0.04 0.05 0.10 -0.04 2.02 2.09 1lp3A1 PRO 559 HG2 -0.04 -0.02 0.09 -0.04 2.03 2.03 1lp3A1 PRO 559 HG3 -0.09 0.05 0.12 -0.04 2.03 2.07 1lp3A1 PRO 559 HD2 0.02 0.03 0.21 -0.04 3.68 3.90 1lp3A1 PRO 559 HD3 -0.07 0.16 0.24 -0.04 3.65 3.93 1lp3A1 GLU 560 H -0.03 0.06 0.16 -0.55 8.60 8.25 1lp3A1 GLU 560 HA 0.05 0.10 0.61 -0.75 4.29 4.29 1lp3A1 GLU 560 HB2 -0.02 0.05 0.06 -0.04 2.09 2.14 1lp3A1 GLU 560 HB3 0.05 -0.02 0.25 -0.04 1.99 2.23 1lp3A1 GLU 560 HG2 -0.01 0.07 0.02 -0.04 2.34 2.38 1lp3A1 GLU 560 HG3 -0.07 0.01 0.09 -0.04 2.34 2.33 1lp3A1 ILE 561 H 0.08 0.21 0.19 -0.55 8.25 8.19 1lp3A1 ILE 561 HA 0.06 0.12 0.78 -0.75 4.18 4.39 1lp3A1 ILE 561 HB 0.11 0.09 0.16 -0.04 1.89 2.21 1lp3A1 ILE 561 HG12 0.07 -0.01 0.05 -0.04 1.49 1.56 1lp3A1 ILE 561 HG13 0.06 0.01 -0.08 -0.04 1.21 1.16 1lp3A1 ILE 561 HG23 0.26 -0.02 -0.21 -0.04 0.93 0.92 1lp3A1 ILE 561 HD13 0.06 -0.01 -0.00 -0.04 0.88 0.89 1lp3A1 GLN 562 H 0.06 0.18 0.15 -0.55 8.47 8.32 1lp3A1 GLN 562 HA 0.00 0.23 0.79 -0.75 4.36 4.63 1lp3A1 GLN 562 HB2 -0.04 -0.06 -0.08 -0.04 2.15 1.93 1lp3A1 GLN 562 HB3 -0.08 0.05 0.01 -0.04 2.02 1.96 1lp3A1 GLN 562 HG2 -0.02 -0.03 -0.80 -0.04 2.40 1.51 1lp3A1 GLN 562 HG3 -0.06 -0.04 -0.14 -0.04 2.39 2.11 1lp3A1 GLN 562 HE21 -0.12 0.19 0.05 -0.04 6.97 7.05 1lp3A1 GLN 562 HE22 -0.09 -0.10 -0.03 -0.04 7.69 7.43 1lp3A1 TYR 563 H -0.24 0.21 0.06 -0.55 8.29 7.77 1lp3A1 TYR 563 HA -0.12 0.12 0.87 -0.75 4.56 4.67 1lp3A1 TYR 563 HB2 -1.36 0.00 -0.05 -0.04 3.06 1.61 1lp3A1 TYR 563 HB3 -0.54 0.03 0.07 -0.04 2.98 2.49 1lp3A1 TYR 563 HD2 0.02 -0.03 -0.20 -0.04 7.15 6.90 1lp3A1 TYR 563 HE2 0.07 -0.04 -0.15 -0.04 6.85 6.68 1lp3A1 THR 564 H -0.51 0.17 0.13 -0.55 8.28 7.53 1lp3A1 THR 564 HA -0.13 0.22 0.87 -0.75 4.39 4.59 1lp3A1 THR 564 HB -0.14 -0.03 -0.05 -0.04 4.32 4.05 1lp3A1 THR 564 HG23 -0.06 -0.09 -0.20 -0.04 1.22 0.83 1lp3A1 SER 565 H -0.05 0.19 0.12 -0.55 8.46 8.17 1lp3A1 SER 565 HA -0.04 0.11 0.81 -0.75 4.49 4.62 1lp3A1 SER 565 HB2 0.07 0.08 0.02 -0.04 3.95 4.08 1lp3A1 SER 565 HB3 0.12 0.02 0.03 -0.04 3.93 4.05 1lp3A1 ASN 566 H 0.01 0.10 0.08 -0.55 8.53 8.17 1lp3A1 ASN 566 HA 0.03 -0.04 0.36 -0.75 4.76 4.36 1lp3A1 ASN 566 HB2 0.01 0.13 -0.10 -0.04 2.88 2.88 1lp3A1 ASN 566 HB3 0.02 -0.05 0.03 -0.04 2.79 2.75 1lp3A1 ASN 566 HD21 0.02 0.01 0.04 -0.04 7.03 7.06 1lp3A1 ASN 566 HD22 0.01 0.06 0.00 -0.04 7.74 7.77 1lp3A1 TYR 567 H 0.15 0.03 0.16 -0.55 8.29 8.09 1lp3A1 TYR 567 HA -0.01 0.15 0.35 -0.75 4.56 4.29 1lp3A1 TYR 567 HB2 -0.01 0.04 0.11 -0.04 3.06 3.15 1lp3A1 TYR 567 HB3 -0.01 -0.09 0.19 -0.04 2.98 3.03 1lp3A1 TYR 567 HD2 -0.01 0.01 0.01 -0.04 7.15 7.13 1lp3A1 TYR 567 HE2 -0.01 -0.01 -0.03 -0.04 6.85 6.77 1lp3A1 ASN 568 H -0.03 -0.06 -0.00 -0.55 8.53 7.90 1lp3A1 ASN 568 HA -0.46 -0.04 0.31 -0.75 4.76 3.81 1lp3A1 ASN 568 HB2 -0.07 0.12 -0.07 -0.04 2.88 2.81 1lp3A1 ASN 568 HB3 -0.12 -0.02 0.09 -0.04 2.79 2.70 1lp3A1 ASN 568 HD21 0.03 -0.01 0.04 -0.04 7.03 7.04 1lp3A1 ASN 568 HD22 -0.01 0.06 -0.03 -0.04 7.74 7.72 1lp3A1 LYS 569 H -0.20 -0.01 0.14 -0.55 8.42 7.80 1lp3A1 LYS 569 HA -0.09 0.12 0.38 -0.75 4.32 3.98 1lp3A1 LYS 569 HB2 -0.06 0.03 0.09 -0.04 1.87 1.88 1lp3A1 LYS 569 HB3 -0.11 -0.01 0.13 -0.04 1.79 1.76 1lp3A1 LYS 569 HG2 -0.08 -0.06 0.03 -0.04 1.46 1.31 1lp3A1 LYS 569 HG3 -0.06 0.01 -0.30 -0.04 1.46 1.07 1lp3A1 LYS 569 HD2 -0.04 0.01 -0.09 -0.04 1.69 1.53 1lp3A1 LYS 569 HD3 -0.05 0.01 -0.01 -0.04 1.68 1.59 1lp3A1 LYS 569 HE2 -0.05 -0.01 -0.01 -0.04 2.99 2.87 1lp3A1 LYS 569 HE3 -0.04 -0.01 -0.05 -0.04 2.99 2.85 1lp3A1 SER 570 H -0.04 0.29 0.17 -0.55 8.46 8.33 1lp3A1 SER 570 HA -0.03 0.06 0.54 -0.75 4.49 4.30 1lp3A1 SER 570 HB2 -0.03 -0.08 0.07 -0.04 3.95 3.87 1lp3A1 SER 570 HB3 -0.03 0.11 -0.02 -0.04 3.93 3.95 1lp3A1 VAL 571 H -0.03 0.16 0.12 -0.55 8.24 7.94 1lp3A1 VAL 571 HA -0.02 0.10 0.52 -0.75 4.13 3.97 1lp3A1 VAL 571 HB -0.03 -0.00 0.11 -0.04 2.12 2.16 1lp3A1 VAL 571 HG13 -0.02 0.00 -0.10 -0.04 0.97 0.81 1lp3A1 VAL 571 HG23 -0.02 -0.00 0.03 -0.04 0.95 0.92 1lp3A1 ASN 572 H -0.03 0.11 -0.23 -0.55 8.53 7.83 1lp3A1 ASN 572 HA -0.02 0.18 0.73 -0.75 4.76 4.89 1lp3A1 ASN 572 HB2 -0.05 -0.06 -0.08 -0.04 2.88 2.64 1lp3A1 ASN 572 HB3 -0.06 0.14 -0.15 -0.04 2.79 2.68 1lp3A1 ASN 572 HD21 -0.03 -0.11 0.01 -0.04 7.03 6.85 1lp3A1 ASN 572 HD22 -0.03 0.03 0.14 -0.04 7.74 7.84 1lp3A1 VAL 573 H -0.01 0.14 0.01 -0.55 8.24 7.83 1lp3A1 VAL 573 HA 0.01 0.10 0.55 -0.75 4.13 4.04 1lp3A1 VAL 573 HB 0.04 0.01 -0.07 -0.04 2.12 2.05 1lp3A1 VAL 573 HG13 0.08 0.05 -0.02 -0.04 0.97 1.03 1lp3A1 VAL 573 HG23 0.02 0.00 -0.01 -0.04 0.95 0.92 1lp3A1 ASP 574 H 0.06 0.10 0.11 -0.55 8.40 8.12 1lp3A1 ASP 574 HA -0.17 0.09 0.55 -0.75 4.63 4.34 1lp3A1 ASP 574 HB2 0.28 -0.01 0.13 -0.04 2.71 3.06 1lp3A1 ASP 574 HB3 -0.23 -0.01 0.10 -0.04 2.70 2.52 1lp3A1 PHE 575 H -0.53 0.29 0.31 -0.55 8.34 7.85 1lp3A1 PHE 575 HA -0.40 0.04 0.39 -0.75 4.62 3.90 1lp3A1 PHE 575 HB2 0.09 0.30 0.38 -0.04 3.15 3.88 1lp3A1 PHE 575 HB3 0.20 -0.06 0.17 -0.04 3.06 3.33 1lp3A1 PHE 575 HD2 0.05 0.07 -0.17 -0.04 7.28 7.18 1lp3A1 PHE 575 HE2 0.04 0.03 -0.01 -0.04 7.38 7.40 1lp3A1 PHE 575 HZ 0.02 0.05 -0.03 -0.04 7.32 7.32 1lp3A1 THR 576 H -0.25 0.27 0.23 -0.55 8.28 7.98 1lp3A1 THR 576 HA 0.14 0.07 0.46 -0.75 4.39 4.31 1lp3A1 THR 576 HB -0.02 0.27 -0.23 -0.04 4.32 4.30 1lp3A1 THR 576 HG23 0.00 0.04 0.00 -0.04 1.22 1.23 1lp3A1 VAL 577 H -0.03 0.17 0.09 -0.55 8.24 7.91 1lp3A1 VAL 577 HA -0.09 0.21 0.32 -0.75 4.13 3.82 1lp3A1 VAL 577 HB -0.08 -0.19 -0.20 -0.04 2.12 1.62 1lp3A1 VAL 577 HG13 -0.30 -0.00 -0.17 -0.04 0.97 0.45 1lp3A1 VAL 577 HG23 -0.03 0.06 0.02 -0.04 0.95 0.96 1lp3A1 ASP 578 H -0.06 0.30 0.08 -0.55 8.40 8.17 1lp3A1 ASP 578 HA -0.04 0.17 0.46 -0.75 4.63 4.46 1lp3A1 ASP 578 HB2 -0.04 -0.08 0.20 -0.04 2.71 2.74 1lp3A1 ASP 578 HB3 -0.06 0.18 0.12 -0.04 2.70 2.90 1lp3A1 THR 579 H -0.03 0.15 0.14 -0.55 8.28 7.99 1lp3A1 THR 579 HA -0.01 0.15 0.50 -0.75 4.39 4.28 1lp3A1 THR 579 HB -0.01 0.05 0.12 -0.04 4.32 4.44 1lp3A1 THR 579 HG23 -0.02 -0.01 0.11 -0.04 1.22 1.26 1lp3A1 ASN 580 H -0.02 0.02 -0.19 -0.55 8.53 7.80 1lp3A1 ASN 580 HA -0.01 0.22 0.65 -0.75 4.76 4.87 1lp3A1 ASN 580 HB2 -0.01 0.00 0.03 -0.04 2.88 2.86 1lp3A1 ASN 580 HB3 -0.01 0.06 0.11 -0.04 2.79 2.91 1lp3A1 ASN 580 HD21 -0.01 -0.00 -0.07 -0.04 7.03 6.91 1lp3A1 ASN 580 HD22 -0.01 0.07 -0.07 -0.04 7.74 7.69 1lp3A1 GLY 581 H -0.02 0.36 -0.81 -0.55 8.43 7.42 1lp3A1 GLY 581 HA2 -0.03 0.05 0.13 -0.51 4.01 3.65 1lp3A1 GLY 581 HA3 -0.00 0.08 0.30 -0.51 4.01 3.87 1lp3A1 VAL 582 H -0.04 -0.08 -0.19 -0.55 8.24 7.38 1lp3A1 VAL 582 HA -0.00 0.26 0.95 -0.75 4.13 4.58 1lp3A1 VAL 582 HB -0.03 -0.15 0.10 -0.04 2.12 1.99 1lp3A1 VAL 582 HG13 -0.02 0.05 -0.12 -0.04 0.97 0.83 1lp3A1 VAL 582 HG23 -0.00 0.03 -0.19 -0.04 0.95 0.75 1lp3A1 TYR 583 H 0.01 0.19 0.05 -0.55 8.29 7.99 1lp3A1 TYR 583 HA -0.24 0.18 0.18 -0.75 4.56 3.93 1lp3A1 TYR 583 HB2 -0.71 -0.00 -0.02 -0.04 3.06 2.28 1lp3A1 TYR 583 HB3 -0.13 0.02 0.01 -0.04 2.98 2.85 1lp3A1 TYR 583 HD2 -0.16 -0.03 -0.24 -0.04 7.15 6.68 1lp3A1 TYR 583 HE2 0.10 0.10 -0.26 -0.04 6.85 6.74 1lp3A1 SER 584 H -0.98 0.14 0.21 -0.55 8.46 7.28 1lp3A1 SER 584 HA -0.33 0.07 0.70 -0.75 4.49 4.17 1lp3A1 SER 584 HB2 -0.22 0.01 -0.07 -0.04 3.95 3.63 1lp3A1 SER 584 HB3 -0.18 0.15 -0.28 -0.04 3.93 3.58 1lp3A1 GLU 585 H -0.26 0.20 0.14 -0.55 8.60 8.13 1lp3A1 GLU 585 HA -0.75 0.07 0.69 -0.75 4.29 3.54 1lp3A1 GLU 585 HB2 -0.07 0.03 0.16 -0.04 2.09 2.16 1lp3A1 GLU 585 HB3 0.00 0.11 0.00 -0.04 1.99 2.07 1lp3A1 GLU 585 HG2 0.36 0.02 0.01 -0.04 2.34 2.68 1lp3A1 GLU 585 HG3 0.01 -0.10 -0.07 -0.04 2.34 2.14 1lp3A1 PRO 586 HA -0.23 0.08 0.45 -0.51 4.44 4.23 1lp3A1 PRO 586 HB2 -0.25 -0.01 0.11 -0.04 2.28 2.09 1lp3A1 PRO 586 HB3 -0.20 0.03 0.07 -0.04 2.02 1.89 1lp3A1 PRO 586 HG2 -0.56 -0.06 0.18 -0.04 2.03 1.54 1lp3A1 PRO 586 HG3 -0.44 0.09 0.12 -0.04 2.03 1.76 1lp3A1 PRO 586 HD2 -2.55 0.09 0.25 -0.04 3.68 1.43 1lp3A1 PRO 586 HD3 -1.31 0.29 0.61 -0.04 3.65 3.19 1lp3A1 ARG 587 H -0.09 0.11 -0.00 -0.55 8.46 7.92 1lp3A1 ARG 587 HA -0.02 0.28 0.88 -0.75 4.34 4.73 1lp3A1 ARG 587 HB2 0.11 0.13 0.08 -0.04 1.90 2.18 1lp3A1 ARG 587 HB3 0.05 0.02 -0.13 -0.04 1.80 1.70 1lp3A1 ARG 587 HG2 0.15 -0.08 -0.06 -0.04 1.67 1.64 1lp3A1 ARG 587 HG3 0.33 -0.05 -0.10 -0.04 1.67 1.81 1lp3A1 ARG 587 HD2 0.18 -0.02 -0.02 -0.04 3.22 3.32 1lp3A1 ARG 587 HD3 0.41 -0.04 -0.05 -0.04 3.22 3.51 1lp3A1 PRO 588 HA -0.18 0.07 0.57 -0.51 4.44 4.39 1lp3A1 PRO 588 HB2 -0.04 -0.04 -0.11 -0.04 2.28 2.06 1lp3A1 PRO 588 HB3 -0.46 0.06 -0.06 -0.04 2.02 1.52 1lp3A1 PRO 588 HG2 -0.03 0.07 -0.23 -0.04 2.03 1.80 1lp3A1 PRO 588 HG3 -0.11 0.10 -0.13 -0.04 2.03 1.84 1lp3A1 PRO 588 HD2 0.05 0.07 0.16 -0.04 3.68 3.92 1lp3A1 PRO 588 HD3 -0.00 0.18 0.14 -0.04 3.65 3.93 1lp3A1 ILE 589 H -0.01 0.09 0.13 -0.55 8.25 7.91 1lp3A1 ILE 589 HA 0.23 0.25 1.11 -0.75 4.18 5.01 1lp3A1 ILE 589 HB -0.14 -0.08 0.12 -0.04 1.89 1.75 1lp3A1 ILE 589 HG12 0.08 0.06 -0.20 -0.04 1.49 1.39 1lp3A1 ILE 589 HG13 0.08 -0.00 -0.38 -0.04 1.21 0.87 1lp3A1 ILE 589 HG23 -0.00 0.07 -0.19 -0.04 0.93 0.77 1lp3A1 ILE 589 HD13 -0.49 -0.00 -0.09 -0.04 0.88 0.26 1lp3A1 GLY 590 H 0.32 0.16 0.03 -0.55 8.43 8.40 1lp3A1 GLY 590 HA2 -0.42 0.04 0.39 -0.51 4.01 3.51 1lp3A1 GLY 590 HA3 -0.03 0.01 0.40 -0.51 4.01 3.88 1lp3A1 THR 591 H -0.08 -0.04 0.20 -0.55 8.28 7.81 1lp3A1 THR 591 HA 0.00 0.23 0.71 -0.75 4.39 4.58 1lp3A1 THR 591 HB 0.00 -0.31 0.01 -0.04 4.32 3.99 1lp3A1 THR 591 HG23 0.24 0.04 -0.18 -0.04 1.22 1.28 1lp3A1 ARG 592 H -0.06 -0.11 0.13 -0.55 8.46 7.86 1lp3A1 ARG 592 HA 0.03 0.24 0.39 -0.75 4.34 4.24 1lp3A1 ARG 592 HB2 -0.12 -0.13 0.11 -0.04 1.90 1.71 1lp3A1 ARG 592 HB3 -0.11 0.04 -0.32 -0.04 1.80 1.36 1lp3A1 ARG 592 HG2 -0.28 0.34 -0.18 -0.04 1.67 1.52 1lp3A1 ARG 592 HG3 -0.11 -0.10 -0.09 -0.04 1.67 1.32 1lp3A1 ARG 592 HD2 -0.10 -0.20 0.07 -0.04 3.22 2.95 1lp3A1 ARG 592 HD3 -0.18 -0.04 -0.02 -0.04 3.22 2.94 1lp3A1 TYR 593 H 0.20 0.24 0.24 -0.55 8.29 8.42 1lp3A1 TYR 593 HA 0.06 0.09 0.77 -0.75 4.56 4.73 1lp3A1 TYR 593 HB2 0.01 0.18 0.07 -0.04 3.06 3.28 1lp3A1 TYR 593 HB3 0.04 0.10 -0.18 -0.04 2.98 2.90 1lp3A1 TYR 593 HD2 0.03 0.07 -0.54 -0.04 7.15 6.66 1lp3A1 TYR 593 HE2 0.11 -0.05 -0.29 -0.04 6.85 6.58 1lp3A1 LEU 594 H 0.22 0.22 0.30 -0.55 8.37 8.57 1lp3A1 LEU 594 HA 0.13 0.06 0.67 -0.75 4.35 4.46 1lp3A1 LEU 594 HB2 0.26 0.19 0.19 -0.04 1.64 2.24 1lp3A1 LEU 594 HB3 0.15 -0.08 -0.01 -0.04 1.64 1.65 1lp3A1 LEU 594 HG -0.01 0.13 0.08 -0.04 1.64 1.80 1lp3A1 LEU 594 HD13 -0.27 -0.00 -0.13 -0.04 0.93 0.49 1lp3A1 LEU 594 HD23 -0.12 -0.00 0.13 -0.04 0.89 0.85 1lp3A1 THR 595 H 0.25 0.12 0.22 -0.55 8.28 8.32 1lp3A1 THR 595 HA 0.28 0.29 1.25 -0.75 4.39 5.46 1lp3A1 THR 595 HB 0.16 -0.05 0.16 -0.04 4.32 4.54 1lp3A1 THR 595 HG23 0.16 -0.03 -0.16 -0.04 1.22 1.15 1lp3A1 ARG 596 H 0.13 0.49 0.22 -0.55 8.46 8.74 1lp3A1 ARG 596 HA 0.02 0.09 0.91 -0.75 4.34 4.60 1lp3A1 ARG 596 HB2 -2.46 -0.03 -0.04 -0.04 1.90 -0.68 1lp3A1 ARG 596 HB3 -0.99 0.04 -0.04 -0.04 1.80 0.77 1lp3A1 ARG 596 HG2 -0.36 0.25 -0.02 -0.04 1.67 1.50 1lp3A1 ARG 596 HG3 -0.79 -0.08 0.05 -0.04 1.67 0.81 1lp3A1 ARG 596 HD2 -1.08 -0.01 -0.12 -0.04 3.22 1.97 1lp3A1 ARG 596 HD3 -0.58 0.02 -0.02 -0.04 3.22 2.59 1lp3A1 ASN 597 H -0.03 0.12 0.18 -0.55 8.53 8.25 1lp3A1 ASN 597 HA 0.08 -0.08 0.76 -0.75 4.76 4.76 1lp3A1 ASN 597 HB2 0.01 0.04 0.11 -0.04 2.88 3.00 1lp3A1 ASN 597 HB3 0.05 0.03 0.10 -0.04 2.79 2.93 1lp3A1 ASN 597 HD21 0.04 0.01 0.05 -0.04 7.03 7.08 1lp3A1 ASN 597 HD22 0.05 0.01 0.04 -0.04 7.74 7.80 1lp3A1 LEU 598 H -0.03 0.07 0.09 -0.55 8.37 7.96 1lp3A1 LEU 598 HA -0.26 0.19 0.29 -0.75 4.35 3.82 1lp3A1 LEU 598 HB2 -0.29 0.00 -0.05 -0.04 1.64 1.26 1lp3A1 LEU 598 HB3 -0.17 0.03 -0.07 -0.04 1.64 1.39 1lp3A1 LEU 598 HG -1.05 0.03 -0.11 -0.04 1.64 0.46 1lp3A1 LEU 598 HD13 -0.17 0.04 -0.29 -0.04 0.93 0.47 1lp3A1 LEU 598 HD23 -0.31 0.01 -0.05 -0.04 0.89 0.49