NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.9068 8.3027 117.8519 55.6865 31.0140 174.6328 6 M 3.7786 8.1912 121.7099 58.6147 32.1445 176.4506 7 Y 3.9757 8.3106 116.5052 60.3965 38.7180 176.8196 8 L 4.0181 8.1613 121.2391 58.5046 42.1697 179.2485 9 S 4.1664 8.0813 113.8377 61.0704 62.9928 176.0763 10 K 3.8497 8.0400 123.3281 59.5860 31.7853 178.8169 11 Q 4.1115 8.2317 118.1277 58.7615 28.7048 178.2357 12 L 3.9817 7.9725 121.3608 58.5237 42.1794 178.9428 13 C 4.2507 8.2484 116.6196 62.6527 28.0011 175.8889 14 F 4.2714 8.4210 122.2756 61.4616 39.0824 177.2108 15 L 3.9134 8.4348 118.9711 57.6527 41.3176 179.4031 16 F 3.8358 8.4332 120.7278 61.1251 39.3791 176.3185 17 Y 4.1246 8.5674 119.6744 60.8883 38.5471 178.5659 18 V 2.9677 7.5924 119.0106 65.8253 31.5977 178.1771 19 S 3.8421 7.6308 115.0020 61.4277 62.6743 176.8661 20 S 3.7345 7.4256 116.9260 61.1120 62.5621 176.3334 21 K 3.6630 7.5133 123.4325 59.1734 32.0052 178.6881 22 E 3.9224 7.9784 118.7187 59.1543 29.3243 179.4977 23 I 4.0165 7.6716 120.0278 64.6411 37.1886 178.5361 24 I 3.4156 7.6882 120.6297 64.0510 36.7629 178.4018 25 K 3.9061 8.2411 120.7674 59.3162 31.8231 179.0795 26 K 3.8740 7.9102 118.3297 59.6077 31.8636 178.8346 27 Y 4.0268 7.9454 116.5092 61.5376 37.6640 178.9156 28 T 3.9738 8.4550 116.9368 66.6668 68.2785 176.2855 29 N 4.2386 7.9910 117.4919 56.7355 38.7356 176.8582 30 Y 4.2003 7.5876 117.7879 60.6897 37.9073 177.9779 31 L 4.2653 8.1498 119.4127 56.6197 41.8141 179.0251 32 K 3.8870 7.7935 119.3322 59.7537 31.7927 178.4129 33 E 3.8967 7.6730 117.7028 58.8271 29.4891 177.5073 34 Y 4.5079 7.9754 113.8307 56.4853 39.1327 174.8729 35 D 4.5226 8.1749 118.9461 55.7935 39.0560 173.6539 36 L 4.9550 7.8973 116.4353 52.8574 45.3157 177.7619 37 T 4.4774 8.2631 112.8657 60.8201 71.6032 175.3718 38 Y 4.2409 8.5727 121.8832 61.5104 38.8663 178.4466 39 T 3.9150 8.1888 116.1984 66.5146 68.5414 176.7223 40 G 3.6888 8.1494 107.4254 47.7338 0.0000 175.1003 41 Y 4.0650 8.0775 121.7612 60.7047 38.6554 177.9828 42 I 3.2428 7.2716 119.1907 64.3641 37.4673 178.2277 43 V 3.6474 7.6879 118.5657 66.0405 31.3362 177.8412 44 L 3.8905 7.8840 118.6951 58.3301 41.2644 179.6055 45 M 3.9196 7.8919 117.0767 57.5644 31.8473 177.2998 46 A 4.1562 7.5120 120.3066 52.8358 19.3323 176.9970 47 I 4.2542 7.1206 117.2596 59.5566 38.2676 175.8159 48 E 4.2582 9.0248 125.4638 55.6249 30.2800 177.4659 49 N 4.1574 8.8017 119.0617 56.3148 38.5918 175.6476 50 D 4.8103 7.9558 113.0501 53.6425 41.7507 174.6343 51 E 4.4374 8.2251 118.7403 54.9063 30.7101 175.1373 52 K 4.7640 8.4423 124.6743 54.7022 34.0555 175.4233 53 L 4.8768 8.8275 127.0450 52.8812 45.6435 175.3542 54 N 5.0035 8.6915 123.2372 52.1295 38.3952 175.9293 55 I 3.7243 8.5402 120.8217 64.1553 38.0509 178.4998 56 K 3.9354 7.9332 118.9258 59.3436 32.0076 179.0954 57 K 3.8550 8.0098 118.2322 59.4565 31.8996 178.9215 58 L 4.0146 8.3266 120.9913 58.1361 41.9507 179.2319 59 G 3.7618 8.3872 107.4205 47.2353 0.0000 175.4748 60 E 3.7366 8.1212 120.8635 59.1876 29.2283 179.3762 61 R 3.8431 7.5974 117.2261 58.5553 30.1486 177.4889 62 V 4.3752 7.2087 108.5269 60.2313 32.1022 175.3805 63 F 3.7172 7.3670 117.2652 58.8396 36.9367 175.2447 64 L 4.8058 7.9969 118.8145 52.6128 44.7421 176.9503 65 D 4.7323 8.2743 122.2228 52.7783 42.3696 177.5590 66 S 4.3134 8.5090 114.6961 61.3868 62.5906 176.9929 67 G 3.6677 8.0901 107.4140 47.8216 0.0000 175.1830 68 T 4.2388 8.0025 117.1514 66.0450 68.7433 177.2517 69 L 4.2805 7.9711 120.9817 57.7195 41.5561 179.4645 70 T 3.9187 8.0084 116.1911 66.2829 68.4733 174.7547 71 P 4.2832 0.0000 0.0000 65.6470 31.3654 178.1637 72 L 3.9361 7.4773 120.4956 58.0640 42.0831 178.9778 73 L 4.0524 8.6606 119.3930 57.7329 41.4287 179.7532 74 K 4.0150 8.1427 118.5846 59.1588 31.8751 179.4890 75 K 3.9415 8.0812 118.8076 59.6648 31.9804 179.3952 76 L 4.0773 8.0803 119.0822 57.6581 41.3841 179.3356 77 E 4.2594 8.3022 120.7404 58.8544 29.4359 179.0872 78 K 3.9646 8.0289 117.2740 59.0491 32.1357 178.5884 79 K 3.9581 7.9765 116.3417 55.4883 32.2987 176.0583 80 D 4.3619 7.9422 118.1162 55.8236 40.1925 173.5994 81 Y 5.0525 8.1608 116.2631 58.5576 40.6369 176.7778 82 V 5.1521 7.7910 110.5749 59.4329 36.8030 174.8384 83 V 4.5547 9.1117 121.5808 60.0631 34.4320 174.5185 84 R 5.1753 8.7457 121.5555 55.1208 31.9042 176.0783 85 T 4.4054 9.0249 117.8194 63.0931 70.6556 173.2711 *94 L 4.6034 7.6758 121.5910 54.6853 43.4382 175.4590 95 Q 4.9207 9.2194 123.4110 54.1671 31.4736 174.5784 96 I 5.0343 8.9725 125.3188 59.6871 39.7267 174.9571 97 S 5.0417 8.7774 120.0650 56.4459 66.8164 173.4557 98 L 4.6756 8.4795 121.3042 55.2395 42.4153 177.2852 99 T 4.3035 8.6732 113.6130 60.9254 70.6591 175.3973 100 E 4.0054 8.8592 120.1707 59.6191 29.1618 179.3962 101 Q 4.1606 8.1844 119.4079 58.9286 29.0160 178.1136 102 G 3.6926 8.3952 106.3897 47.9152 0.0000 175.3855 103 K 4.0694 8.1291 120.9615 59.1599 31.8311 179.2965 104 A 4.0673 7.9242 120.2490 54.1536 18.5743 178.6477 105 I 4.1898 7.4265 110.3038 61.1076 38.2040 177.4936 106 K 3.7090 7.6400 122.9420 59.9797 31.9405 177.9800 107 S 4.0628 8.0514 112.7706 61.0040 62.3796 174.1504 108 P 4.2925 0.0000 0.0000 65.7786 30.7829 178.0670 109 L 3.8384 8.0158 118.0982 57.6272 41.9132 178.8743 110 A 4.2115 8.1345 120.5492 55.5229 18.3487 179.5917 111 E 4.0047 8.2212 116.4084 59.0056 29.3386 179.3370 112 I 3.3348 7.6584 120.7913 64.2391 37.0356 178.1819 113 S 4.4392 8.2659 116.3041 60.9848 62.6997 176.8785 114 V 3.5708 7.6976 121.4102 65.4563 31.1459 177.7005 115 K 3.7359 7.5677 116.9698 59.5327 32.1597 179.0943 116 V 3.6081 7.6820 118.4201 65.8918 31.5437 177.6214 117 F 4.1980 8.3786 120.4649 61.6595 39.0287 176.7612 118 N 4.5816 8.5891 114.3917 55.6001 38.3806 176.8071 119 E 3.9535 7.8950 119.5344 57.4273 29.8494 176.9272 120 F 4.6538 6.9052 116.4673 55.9167 40.4075 175.7104 121 N 4.5617 8.5379 122.5159 52.8770 37.6837 173.9462 122 I 4.4552 7.6027 124.2490 58.6175 41.1189 175.0973 123 S 4.7184 8.8323 123.4065 57.0556 65.8619 175.0428 124 E 4.0689 8.7393 121.0207 59.7658 29.1268 179.7289 125 R 3.9034 7.9587 117.9966 59.4813 30.4011 178.2619 126 E 3.9701 8.1706 117.7992 59.2854 29.3659 179.2168 127 A 4.0692 8.3511 120.9807 55.3186 18.4617 179.8040 128 S 4.1028 8.3869 113.8868 61.8497 62.8321 176.7263 129 D 4.3682 8.2513 121.4256 57.5250 40.5905 178.9073 130 I 3.7117 7.6442 119.7856 64.4109 37.0957 178.5308 131 I 3.7518 8.0985 120.8603 64.5488 36.9630 178.2275 132 N 4.4189 8.6195 117.9294 56.1213 38.3476 177.0335 *133 N 4.2922 8.4167 118.6688 56.3196 37.2258 177.2528 134 L 4.2412 8.2024 121.5268 56.8810 41.7110 179.3680 135 R 3.9569 8.6318 119.4013 59.2666 30.0338 178.0610 136 N 4.2903 8.2850 116.9833 56.5519 38.8420 176.5665 137 F 4.1096 8.1604 121.9760 61.3189 39.4682 176.9885 138 V 3.5698 8.2396 118.1432 66.3779 31.0971 178.0431 139 S 4.1137 8.0727 113.4334 61.4639 62.7842 176.2641 140 K 4.1609 7.7201 118.3430 57.3223 32.1118 177.2773 141 N 4.3520 6.9998 113.3618 52.7824 41.0139 174.4546 142 F 4.7047 7.7503 120.7304 57.5929 39.5463 174.8071 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 H 8.30 4.91 0.00 3.24 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.19 3.78 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 7 Y 8.31 3.98 0.00 3.05 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.16 4.02 0.00 1.84 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.08 4.17 0.00 4.11 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.04 3.85 0.00 1.84 1.98 0.00 1.40 0.00 0.00 1.31 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 11 Q 8.23 4.11 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.75 0.00 12 L 7.97 3.98 0.00 1.78 1.73 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.25 4.25 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.42 4.27 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.43 3.91 0.00 1.82 1.70 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.43 3.84 0.00 3.24 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.57 4.12 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.59 2.97 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.23 0.00 0.00 19 S 7.63 3.84 0.00 3.54 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.43 3.73 0.00 3.72 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.51 3.66 0.00 1.38 1.51 0.00 1.50 0.00 0.00 1.33 0.00 0.00 2.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.29 7.81 22 E 7.98 3.92 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 23 I 7.67 4.02 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 1.15 0.00 0.00 24 I 7.69 3.42 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.44 0.12 0.00 0.00 25 K 8.24 3.91 0.00 1.83 2.00 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 26 K 7.91 3.87 0.00 2.06 1.75 0.00 0.90 0.00 0.00 1.40 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.65 7.81 27 Y 7.95 4.03 0.00 3.38 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.45 3.97 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 29 N 7.99 4.24 0.00 2.50 2.52 0.00 0.00 7.09 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.59 4.20 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.15 4.27 0.00 1.91 1.96 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.79 3.89 0.00 1.87 1.89 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.68 7.81 33 E 7.67 3.90 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.14 0.00 34 Y 7.98 4.51 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.17 4.52 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.90 4.95 0.00 1.74 1.67 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.26 4.48 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 38 Y 8.57 4.24 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.19 3.92 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 G 8.15 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.08 4.07 0.00 2.99 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.27 3.24 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.33 0.76 0.00 0.00 43 V 7.69 3.65 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 44 L 7.88 3.89 0.00 1.72 1.55 0.65 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.89 3.92 0.00 1.66 1.72 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.94 0.00 46 A 7.51 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.12 4.25 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.89 0.00 0.00 48 E 9.02 4.26 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 49 N 8.80 4.16 0.00 2.67 2.90 0.00 0.00 6.72 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.96 4.81 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.23 4.44 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 52 K 8.44 4.76 0.00 1.65 1.71 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.40 7.81 53 L 8.83 4.88 0.00 1.68 1.60 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.69 5.00 0.00 2.79 2.92 0.00 0.00 6.37 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.54 3.72 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.90 0.00 0.00 56 K 7.93 3.94 0.00 1.78 1.81 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.46 7.81 57 K 8.01 3.86 0.00 2.15 1.83 0.00 2.07 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.42 7.81 58 L 8.33 4.01 0.00 1.69 1.79 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.39 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.12 3.74 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 61 R 7.60 3.84 0.00 1.97 1.97 0.00 3.18 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 62 V 7.21 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 63 F 7.37 3.72 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.00 4.81 0.00 1.66 1.53 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.27 4.73 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.51 4.31 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.09 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.00 4.24 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 69 L 7.97 4.28 0.00 1.82 1.72 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.01 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 71 P 0.00 4.28 0.00 2.28 2.32 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 72 L 7.48 3.94 0.00 1.97 1.86 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.66 4.05 0.00 1.70 1.72 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.14 4.01 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.72 7.81 75 K 8.08 3.94 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.78 7.81 76 L 8.08 4.08 0.00 1.91 1.85 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.30 4.26 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 78 K 8.03 3.96 0.00 1.90 1.83 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.67 7.81 79 K 7.98 3.96 0.00 1.47 0.98 0.00 1.91 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 80 D 7.94 4.36 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.16 5.05 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.79 5.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 83 V 9.11 4.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 84 R 8.75 5.18 0.00 1.70 1.88 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 85 T 9.02 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *94 L 7.68 4.60 0.00 1.62 1.64 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 9.22 4.92 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 96 I 8.97 5.03 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.91 0.00 0.00 97 S 8.78 5.04 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.48 4.68 0.00 1.56 1.66 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.67 4.30 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 100 E 8.86 4.01 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 101 Q 8.18 4.16 0.00 2.20 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 102 G 8.40 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.13 4.07 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.24 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.69 7.81 104 A 7.92 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.43 4.19 1.85 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 1.08 0.00 0.00 106 K 7.64 3.71 0.00 1.79 1.89 0.00 1.42 0.00 0.00 1.49 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.45 7.81 107 S 8.05 4.06 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.29 0.00 2.47 2.39 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 109 L 8.02 3.84 0.00 1.75 1.91 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.13 4.21 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.22 4.00 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 112 I 7.66 3.33 2.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.61 0.00 0.00 113 S 8.27 4.44 0.00 4.33 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.70 3.57 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.90 0.00 0.00 115 K 7.57 3.74 0.00 1.25 1.17 0.00 1.19 0.00 0.00 1.34 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81 116 V 7.68 3.61 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.39 0.00 0.00 117 F 8.38 4.20 0.00 3.36 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.59 4.58 0.00 2.72 2.89 0.00 0.00 7.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.90 3.95 0.00 1.69 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 120 F 6.91 4.65 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.54 4.56 0.00 2.68 2.77 0.00 0.00 6.75 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.60 4.46 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.24 0.00 0.00 123 S 8.83 4.72 0.00 4.15 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.74 4.07 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 125 R 7.96 3.90 0.00 1.90 1.95 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 126 E 8.17 3.97 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 127 A 8.35 4.07 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.39 4.10 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.25 4.37 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.64 3.71 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 0.91 0.00 0.00 131 I 8.10 3.75 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.72 0.95 0.00 0.00 132 N 8.62 4.42 0.00 2.91 2.89 0.00 0.00 6.81 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 N 8.42 4.29 0.00 2.98 3.08 0.00 0.00 7.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.20 4.24 0.00 1.81 1.89 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.63 3.96 0.00 1.99 2.04 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 136 N 8.28 4.29 0.00 3.01 3.04 0.00 0.00 6.85 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.16 4.11 0.00 3.22 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.24 3.57 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.16 0.00 0.00 139 S 8.07 4.11 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.72 4.16 0.00 1.53 1.70 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.62 7.81 141 N 7.00 4.35 0.00 1.44 1.42 0.00 0.00 6.73 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 7.75 4.70 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.