NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 W 4.6839 8.1327 121.3304 55.6520 29.1965 175.1945 13 L 3.8893 8.4455 127.8442 57.1092 41.7380 175.4129 14 E 4.1491 8.4244 118.3585 58.8406 29.8783 179.0274 15 G 3.5556 8.0819 106.1763 48.0378 0.0000 176.0410 16 I 3.9604 7.7586 122.4527 63.7348 37.0938 178.7002 17 R 4.0336 8.2805 119.5305 59.2697 30.0945 179.0237 18 K 3.1042 7.7158 119.3094 58.6617 32.0557 178.7253 19 W 3.9992 8.1516 128.7941 60.5238 30.6176 177.4077 20 Y 3.3686 8.7082 120.0015 60.5411 38.1077 177.1063 21 Y 3.7803 8.4242 120.9232 60.9165 38.6390 178.0238 22 N 4.0651 7.6490 115.3056 55.6070 38.7335 177.1288 23 A 3.5789 6.8597 121.5141 54.6026 18.3596 178.9620 24 A 3.6143 7.3220 118.8824 53.6809 18.7033 178.9490 25 G 3.4724 6.8621 103.6789 47.0438 0.0000 175.4158 26 F 4.1980 6.6781 116.8433 59.0184 37.8150 176.9880 27 N 4.5365 6.8660 117.3998 55.5561 37.0336 176.8699 28 K 2.8011 7.2059 119.8994 57.5698 30.3250 177.9766 29 L 4.6519 7.5280 118.6858 53.6880 41.5534 177.4698 30 G 3.8856 7.7810 106.4820 46.0862 0.0000 174.2482 31 L 4.5618 7.2211 117.8774 54.1350 42.7983 176.1725 32 M 5.0175 9.4744 120.6840 53.6187 34.5195 177.2677 33 R 3.0917 9.8354 122.2465 60.0235 29.8074 178.8388 34 D 4.1776 7.9813 117.3142 57.0463 40.4744 178.1596 35 D 4.5042 8.1875 119.0762 56.4116 40.8574 177.5346 36 T 4.2024 7.3008 108.4541 60.4746 69.7413 174.8651 37 I 3.6346 6.7078 122.4705 61.1925 38.5612 174.7522 38 H 4.2903 8.6086 127.0544 56.0533 29.9576 175.3094 39 E 4.1127 8.5319 127.3603 55.9947 28.0359 176.5453 40 N 4.7343 7.9612 123.1851 51.5532 41.3348 174.9384 41 D 4.3393 8.4829 118.6805 57.6783 40.7615 178.5595 42 D 4.3543 8.1180 119.0361 57.4123 40.8658 178.7753 43 V 3.6158 8.5301 119.1028 66.0142 31.6208 178.2170 44 K 4.0009 8.2970 118.3718 59.3285 31.5959 179.0060 45 E 3.9619 7.9678 118.4105 59.0144 29.9390 178.2917 46 A 4.2318 8.1728 120.8980 55.2703 18.4904 179.6373 47 I 3.7042 8.1548 118.6976 64.6355 36.9941 178.6390 48 R 3.9172 7.7607 118.0110 59.2247 29.9379 178.0162 49 R 4.1681 7.5160 115.1314 56.1210 30.7533 176.9428 50 L 3.3966 6.9100 119.5682 53.5809 42.3953 175.9447 51 P 4.4342 0.0000 0.0000 62.4068 33.4427 177.1196 52 E 3.9540 8.8361 119.9515 59.9351 29.3822 179.6551 53 N 4.3284 8.1162 116.0357 56.1343 37.3718 177.0281 54 L 3.8098 7.8284 121.1639 57.2770 41.7258 178.7429 55 Y 3.8146 8.1643 119.5448 60.8856 38.8981 177.8985 56 D 4.4238 8.8159 120.0751 57.1851 40.8056 178.6640 57 D 4.3143 8.2068 119.7926 57.2235 40.8710 178.4589 58 R 3.7073 7.7777 119.3186 59.4766 29.9212 178.4666 59 V 3.4036 7.4472 117.8050 66.1055 31.3747 177.8129 60 F 4.0990 8.1151 120.0052 61.2590 39.1971 177.4172 61 R 3.7638 8.1698 117.8614 59.0756 29.8181 179.1968 62 I 3.6083 7.7497 119.6752 64.1020 37.1498 178.2376 63 K 3.7711 8.0197 120.7308 59.5419 31.9931 178.7073 64 R 3.6113 7.7267 118.9869 59.1699 29.8082 178.3774 65 A 3.9110 7.9644 120.5981 55.1625 18.3494 179.6057 66 L 3.8751 8.2868 117.9416 57.9163 41.5161 179.2821 67 D 4.2733 8.1431 118.0029 57.2108 41.0528 178.3940 68 L 3.9529 7.9249 119.5311 57.7528 41.6391 179.1629 69 S 4.0163 8.2610 113.4620 61.7733 62.0435 175.8454 70 M 3.9957 7.9746 119.5159 58.4977 32.0479 177.5222 71 R 4.2400 7.5177 115.0025 55.2114 31.0104 176.0607 72 Q 3.4290 8.0052 117.0099 57.4758 26.8262 172.7229 73 Q 4.9298 8.2192 114.3455 54.0409 32.9047 175.0825 74 I 4.7460 8.2659 113.1727 59.0192 41.0631 174.9633 75 L 4.5227 8.7185 122.8253 53.4455 42.6452 175.7674 76 P 4.4077 0.0000 0.0000 62.2846 32.1378 177.7100 77 K 2.0000 8.4475 122.9432 58.7205 31.9240 178.5222 78 E 3.9333 7.8340 115.1453 58.3632 29.5600 177.2487 79 Q 4.5108 7.9163 117.0890 55.2951 29.4699 175.9495 80 W 4.7170 7.6982 119.1575 56.6661 29.6419 176.3015 81 T 4.1210 8.6380 119.0141 63.9763 68.7621 173.7596 82 K 4.6845 8.5124 124.5011 54.8337 34.3491 176.6773 83 Y 2.9962 8.8339 124.4281 60.6516 38.6003 178.5429 84 E 3.8397 8.0939 116.7076 58.4429 29.7358 177.4040 85 E 4.2752 7.6356 116.5975 56.5572 30.4032 175.6358 86 D 4.5391 7.3923 118.2458 53.8770 41.2421 175.3425 87 K 4.5763 8.3582 125.2192 54.2978 35.6057 176.2320 88 S 4.4169 8.4889 116.3245 57.8277 61.6398 173.5187 89 Y 4.4647 8.1234 126.7296 58.5815 38.7416 176.9630 90 L 4.3614 7.6929 122.3526 56.9426 42.2166 177.6416 91 E 3.8804 8.0881 119.9967 59.0841 29.2286 177.2716 92 P 4.2177 0.0000 0.0000 66.1153 31.1464 177.9192 93 Y 3.9847 7.6764 115.8835 60.7149 37.9877 177.7330 94 L 4.0337 8.3412 121.5733 57.8609 42.2072 178.8173 95 K 3.9198 8.5283 120.1896 59.5051 32.0405 178.4527 96 E 3.9414 7.9352 119.4566 59.2279 29.6933 178.8865 97 V 3.6039 7.8649 118.3938 66.0934 31.5347 178.1196 98 I 3.8359 7.8936 119.6816 64.0867 36.9635 178.3774 99 R 3.9304 8.0768 119.7839 59.2970 29.9251 178.4210 100 E 3.9753 8.5073 118.8179 59.4918 29.5103 179.3539 101 R 3.9548 7.9492 118.3849 59.2827 30.1061 178.7254 102 K 4.2045 8.1382 118.5317 59.2354 32.1331 178.8814 103 E 4.0290 8.2984 119.6162 59.5224 29.6331 179.0790 104 R 4.0319 8.0877 118.0223 59.4404 30.1208 178.9418 105 E 4.0547 8.3935 118.3431 59.2889 29.1887 179.2049 106 E 3.9795 8.1126 117.8316 59.4363 29.7374 179.2444 107 W 4.0442 8.3973 118.3003 59.5444 28.8166 178.5098 108 A 4.1062 8.0657 120.2900 55.1126 17.9170 179.6287 109 K 4.0902 8.0889 115.9409 59.0004 32.1311 177.9860 110 K 4.2271 7.4621 122.9018 56.5814 32.1166 176.5761 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 *12 W 8.13 4.68 0.00 2.44 2.30 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 0.00 13 L 8.45 3.89 0.00 1.85 1.73 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.42 4.15 0.00 2.07 2.08 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 2.45 2.39 0.00 15 G 8.08 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.76 3.96 1.91 0.00 0.00 0.81 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 0.54 1.03 0.00 0.00 17 R 8.28 4.03 0.00 2.06 2.00 0.00 3.38 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 18 K 7.72 3.10 0.00 1.13 1.60 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.19 7.81 19 W 8.15 4.00 0.00 3.53 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.71 3.37 0.00 3.37 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.42 3.78 0.00 3.24 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 22 N 7.65 4.07 0.00 2.57 2.72 0.00 0.00 7.05 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 6.86 3.58 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.32 3.61 0.72 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 6.86 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 6.68 4.20 0.00 3.17 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 6.87 4.54 0.00 3.19 2.69 0.00 0.00 6.30 6.63 0.00 0.00 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 K 7.21 2.80 0.00 1.40 1.14 0.00 1.06 0.00 0.00 0.96 0.00 0.00 2.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.32 7.81 29 L 7.53 4.65 0.00 1.78 1.60 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.78 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 0.00 0.00 0.00 31 L 7.22 4.56 0.00 2.01 1.64 0.90 0.89 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 32 M 9.47 5.02 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 33 R 9.84 3.09 0.00 2.10 2.04 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.96 0.00 34 D 7.98 4.18 0.00 1.97 2.08 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 35 D 8.19 4.50 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.30 4.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 37 I 6.71 3.63 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.91 0.00 0.00 38 H 8.61 4.29 0.00 3.08 3.21 0.00 5.97 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.53 4.11 0.00 1.94 1.88 0.00 0.00 0.00 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 2.27 0.00 40 N 7.96 4.73 0.00 2.96 2.93 0.00 0.00 6.15 8.07 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 41 D 8.48 4.34 0.00 2.71 2.76 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 42 D 8.12 4.35 0.00 2.85 2.72 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 0.00 0.00 0.00 0.00 43 V 8.53 3.62 2.28 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 1.10 0.00 0.00 1.01 0.00 0.00 44 K 8.30 4.00 0.00 1.98 1.85 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.61 7.81 45 E 7.97 3.96 0.00 1.99 2.16 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 2.34 2.40 0.00 46 A 8.17 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.70 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.02 1.08 0.00 0.00 48 R 7.76 3.92 0.00 2.00 2.14 0.00 3.23 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 49 R 7.52 4.17 0.00 2.05 2.08 0.00 3.34 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.00 0.00 50 L 6.91 3.40 0.00 1.74 1.50 1.02 0.51 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 51 P 0.00 4.43 0.00 2.45 2.21 0.00 3.40 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 52 E 8.84 3.95 0.00 1.99 2.08 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 2.35 2.32 0.00 53 N 8.12 4.33 0.00 2.90 3.08 0.00 0.00 6.19 6.67 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 54 L 7.83 3.81 0.00 1.78 1.56 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.16 3.81 0.00 2.96 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 56 D 8.82 4.42 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.21 4.31 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.78 3.71 0.00 1.59 1.78 0.00 3.04 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 59 V 7.45 3.40 2.08 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 1.02 0.00 0.00 0.44 0.00 0.00 60 F 8.12 4.10 0.00 3.21 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 61 R 8.17 3.76 0.00 1.98 1.93 0.00 3.44 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 62 I 7.75 3.61 1.89 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 1.35 0.53 0.84 0.00 0.00 63 K 8.02 3.77 0.00 1.84 1.70 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.40 7.81 64 R 7.73 3.61 0.00 1.07 1.68 0.00 3.16 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 1.51 1.52 0.00 65 A 7.96 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 3.88 0.00 1.72 1.69 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.14 4.27 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.95 0.00 1.87 1.89 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.26 4.02 0.00 3.82 4.06 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 70 M 7.97 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 71 R 7.52 4.24 0.00 1.87 1.94 0.00 3.37 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 72 Q 8.01 3.43 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 Q 8.22 4.93 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 74 I 8.27 4.75 1.94 0.00 0.00 0.99 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 0.82 0.80 0.00 0.00 75 L 8.72 4.52 0.00 1.94 1.85 1.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.41 0.00 2.16 1.95 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 77 K 8.45 2.00 0.00 0.80 1.24 0.00 1.04 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.73 0.21 7.81 78 E 7.83 3.93 0.00 2.05 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 2.22 2.24 0.00 79 Q 7.92 4.51 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 80 W 7.70 4.72 0.00 3.36 3.10 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 0.00 0.00 0.00 81 T 8.64 4.12 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 82 K 8.51 4.68 0.00 1.86 1.77 0.00 1.91 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.59 7.81 83 Y 8.83 3.00 0.00 2.68 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.09 3.84 0.00 1.96 1.95 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 2.36 2.46 0.00 85 E 7.64 4.28 0.00 2.10 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 2.28 2.22 0.00 86 D 7.39 4.54 0.00 2.93 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.36 4.58 0.00 1.78 1.68 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.32 7.81 88 S 8.49 4.42 0.00 3.78 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.12 4.46 0.00 3.16 3.15 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 0.00 0.00 0.00 0.00 90 L 7.69 4.36 0.00 1.18 1.52 1.02 0.55 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 91 E 8.09 3.88 0.00 2.05 1.94 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 2.29 2.34 0.00 92 P 0.00 4.22 0.00 1.88 2.14 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 93 Y 7.68 3.98 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.34 4.03 0.00 1.79 1.68 0.94 0.55 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 95 K 8.53 3.92 0.00 1.85 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 96 E 7.94 3.94 0.00 2.07 2.08 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 2.30 2.37 0.00 97 V 7.86 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 98 I 7.89 3.84 2.02 0.00 0.00 0.87 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 0.59 0.92 0.00 0.00 99 R 8.08 3.93 0.00 1.96 2.09 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 100 E 8.51 3.98 0.00 2.20 1.99 0.00 0.00 0.00 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 2.52 0.00 101 R 7.95 3.95 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 102 K 8.14 4.20 0.00 2.02 1.87 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.61 7.81 103 E 8.30 4.03 0.00 2.12 2.22 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 0.00 2.41 2.56 0.00 104 R 8.09 4.03 0.00 2.09 2.00 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 105 E 8.39 4.05 0.00 2.24 2.03 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 2.36 2.51 0.00 106 E 8.11 3.98 0.00 2.26 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 2.56 2.52 0.00 107 W 8.40 4.04 0.00 3.59 3.36 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 0.00 108 A 8.07 4.11 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 0.00 109 K 8.09 4.09 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.73 7.81 110 K 7.46 4.23 0.00 1.75 1.59 0.00 0.93 0.00 0.00 1.21 0.00 0.00 2.67 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.27 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.