NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0988 8.2493 123.5784 52.0075 19.5998 176.8869 *3 N 4.4412 8.3474 117.2736 54.2774 38.5868 174.7583 4 A 3.9621 8.3673 118.3849 55.4419 18.1991 179.7216 5 L 3.9704 7.9237 117.0072 58.0522 41.7801 179.4621 6 E 3.9773 8.7412 118.6278 58.9071 29.2981 179.2575 7 L 3.9557 7.6453 120.2588 58.3091 42.3469 178.8629 8 Q 4.1502 8.1220 117.8043 59.0803 28.5964 178.9238 9 A 4.0293 8.2765 121.7314 55.2308 18.4538 179.7002 10 L 3.9458 8.2017 117.5685 57.8695 41.4647 179.6694 11 R 4.1185 8.0641 117.8633 59.6852 30.3638 178.5494 12 R 4.1181 8.0555 117.5411 59.1787 29.8565 178.9211 13 I 3.5719 7.8845 119.2520 63.8384 37.1001 177.4673 14 F 4.8373 7.8914 115.3247 55.3424 39.3597 174.6656 15 D 3.9575 7.7129 117.2827 54.7052 39.5595 173.2397 *17 T 4.1801 7.7655 114.9602 61.1057 71.3052 174.4354 18 I 3.2229 8.0491 122.2522 64.5085 37.1167 178.3466 19 E 3.8353 8.0384 118.7207 59.6632 29.2806 179.2568 20 E 3.9361 8.0907 118.2673 59.4711 29.3632 179.2710 21 C 3.9339 7.7278 117.2386 62.6818 27.8261 176.0193 22 T 4.4450 7.5249 112.2826 63.4528 68.5161 176.9723 23 I 3.5420 7.1885 122.6459 63.9964 37.1514 177.1852 24 Y 4.4530 7.7005 114.9453 58.5397 38.4379 176.7678 25 I 4.3212 7.7772 119.9282 63.2964 38.5200 177.2087 26 T 4.3034 7.9938 109.0484 62.0075 69.5343 174.5024 27 Q 4.0405 8.3864 119.4666 55.5459 26.1940 173.7778 28 D 4.5772 7.7000 110.9969 52.5534 41.6726 174.8688 29 N 4.1901 8.2246 114.8914 53.5771 36.8369 175.3568 30 N 4.5932 8.1569 119.1068 52.7776 37.2300 175.3308 31 S 4.1364 8.1617 121.9873 60.5043 63.2994 175.5513 32 A 3.9415 7.9263 123.3418 55.5759 18.2040 179.6468 33 T 3.4759 8.2319 114.3798 66.2958 68.4138 176.7710 34 W 3.5449 7.5673 130.2895 60.4316 30.7262 178.1045 35 Q 4.2004 8.4804 118.2199 58.9751 28.1203 178.8516 36 R 3.9687 7.8039 119.2350 58.9000 30.1166 179.1831 37 W 4.5055 7.8361 118.8342 59.9920 28.8744 178.4718 38 E 4.1099 8.1793 116.5453 58.5398 29.0043 178.3508 39 A 4.3894 8.0050 119.3259 51.8858 19.0212 178.1494 40 G 3.9166 7.7319 104.7285 46.0094 0.0000 174.7454 41 D 4.5465 8.1705 121.8004 56.5035 40.9932 176.8656 42 I 4.7469 7.3500 109.7834 58.0743 40.5783 172.9072 43 P 4.3360 0.0000 0.0000 62.5720 31.7909 176.2769 44 I 2.0466 7.5507 120.8301 60.2224 37.8052 176.7061 45 S 4.0209 6.7941 118.2927 57.9566 63.5513 173.4313 46 P 4.1465 0.0000 0.0000 65.7981 31.2230 178.3356 47 E 3.9482 8.0512 117.5793 59.3178 29.5346 178.8125 48 I 3.8498 7.4697 119.4418 64.0912 37.1896 178.1263 49 I 3.5475 7.6296 120.5688 64.2892 36.9234 178.1785 50 A 3.9773 7.9307 121.4277 55.2400 17.9824 179.8230 51 R 3.8847 7.5522 114.9031 59.5423 30.2666 179.0195 52 L 4.2177 8.0613 117.7080 57.8192 41.9184 179.4825 53 K 4.2133 8.4997 118.8870 58.9862 31.9016 178.6714 54 E 4.3568 8.1671 119.8323 56.3256 29.8739 178.8040 *56 K 4.3761 8.1112 117.9353 56.1249 34.5580 178.3016 57 A 4.0181 8.2365 120.4168 55.2716 18.2492 179.8883 58 R 3.9039 8.3229 116.8773 59.2977 30.1371 179.2333 59 R 3.9465 8.0584 118.0078 59.5454 30.1878 178.1861 60 Q 3.9660 8.2786 119.3266 59.3213 28.9925 178.3919 61 R 4.0043 8.1479 119.1189 59.1123 30.0889 179.0545 62 R 3.8893 8.1423 118.5249 59.4938 30.0764 178.6660 63 I 3.6772 7.8389 119.5535 64.4225 37.0259 178.1483 64 N 4.2883 8.6553 117.4727 56.2482 37.9602 177.2449 65 A 3.9980 8.2161 122.2289 55.3096 18.5286 179.8455 66 I 3.7127 7.7205 118.1759 64.5667 37.2963 178.8708 67 V 3.6058 7.9999 119.2491 65.9867 31.0707 177.4733 68 D 4.3555 8.1446 117.2314 57.3101 41.0474 178.1086 69 K 4.1934 7.7811 118.3033 58.8967 32.1219 179.4803 70 I 3.7149 7.6071 120.3287 64.4780 36.9933 177.5899 71 N 4.6726 7.8988 113.6476 54.2675 38.5969 175.9894 72 N 4.8205 7.5516 117.0808 52.9418 39.6251 173.6840 73 R 4.7181 7.6328 119.2228 54.6142 33.7166 173.2623 74 I 4.5311 8.4031 117.2713 59.6508 40.8956 173.3965 75 G 4.0622 8.6438 110.7796 42.8271 0.0000 172.9363 76 N 4.4826 8.3800 117.3417 53.5025 38.7482 174.9144 77 N 4.8354 8.6905 122.7334 52.4846 40.1494 174.7688 78 T 5.4844 8.0929 119.0273 60.8378 73.2780 173.3920 *80 R 4.1750 8.3658 120.1817 56.3502 31.0424 174.7603 81 Y 4.5443 8.0412 121.0153 55.7989 40.8227 175.1012 82 F 4.9000 7.9228 126.5655 55.1628 39.2329 173.8242 83 P 4.5562 0.0000 0.0000 64.8228 31.5495 176.9595 84 D 4.8427 7.8516 115.3045 50.3208 43.7817 176.1319 85 L 2.4400 7.0434 121.2640 57.6423 41.7149 179.1242 86 S 3.9752 7.6273 112.9828 61.5351 63.1946 176.2449 87 S 4.2482 8.8851 118.2937 60.9663 62.6404 176.2493 88 F 2.3000 7.5089 123.9819 60.5078 38.8315 176.6965 89 Q 4.0758 8.0219 116.6180 57.2966 28.3443 178.1045 90 S 4.0858 7.4190 114.7698 60.1366 63.1998 175.2967 91 I 4.0488 7.0707 121.1121 62.0225 39.7546 176.6779 92 Y 4.1235 6.8163 120.8433 55.7510 35.4690 176.3122 93 T 3.9236 7.7126 112.3261 62.9871 69.2136 175.6478 94 E 4.5098 7.9469 119.2940 55.7880 30.3771 176.1799 95 G 4.1018 7.9978 109.4096 44.9508 0.0000 173.7455 96 D 5.0218 8.4696 122.0897 51.0742 43.2249 177.0062 97 F 4.0167 8.5808 119.7364 61.8446 39.0973 177.1115 98 I 3.5190 7.7543 118.7277 64.2764 36.8096 178.1069 99 E 3.8871 8.7232 119.7570 59.0119 29.2017 179.1900 100 W 2.5763 7.7510 128.2302 59.9576 30.6464 178.2384 101 K 3.1083 7.4253 118.3695 59.0192 31.3374 179.5191 102 I 3.8816 7.6166 120.2078 64.4216 37.0571 177.6717 103 Y 3.9435 7.9407 120.4027 60.9595 38.5393 178.3033 104 Q 3.9729 8.1451 119.0688 58.9255 28.6970 178.8183 105 S 3.9836 8.0584 114.1519 61.2621 62.3300 176.4689 106 V 3.4491 7.8078 120.6561 65.8423 31.2909 177.7725 107 A 3.8594 8.1648 120.6563 55.1497 18.2349 179.4496 108 A 4.0374 8.3730 119.5531 55.2892 18.4606 179.5050 109 E 3.8922 8.1903 117.8237 59.4722 29.6581 178.9920 110 L 3.9669 8.1522 119.2714 57.7904 41.6606 179.3708 111 F 4.5548 8.6252 121.8025 60.7137 39.1229 177.1578 112 A 3.8156 7.9880 119.4604 54.6560 18.1990 178.2618 113 H 4.4726 7.8256 112.4320 55.0569 29.0348 175.0073 114 D 4.3452 7.5243 119.3297 55.4329 38.5239 174.7487 115 L 4.4878 8.1158 120.4598 55.6371 42.7290 176.7282 116 E 5.0283 7.7806 116.6542 54.8905 34.1755 174.7049 117 R 4.8515 8.7593 121.3336 55.0116 32.9125 175.1928 118 L 5.0015 8.1817 120.5226 53.0843 44.6674 176.5473 119 C 4.2986 8.2384 115.7327 58.5140 29.8363 173.7698 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 0 A 8.25 4.10 1.11 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 0.00 0.00 *3 N 8.35 4.44 0.00 2.95 3.01 0.00 0.00 5.85 7.69 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 4 A 8.37 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.92 3.97 0.00 1.85 1.73 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.74 3.98 0.00 2.10 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 2.32 2.57 0.00 7 L 7.65 3.96 0.00 1.62 1.82 0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.12 4.15 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 9 A 8.28 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 3.95 0.00 2.03 2.00 1.03 0.75 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 11 R 8.06 4.12 0.00 2.24 2.27 0.00 3.30 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 12 R 8.06 4.12 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 13 I 7.88 3.57 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 -0.05 0.00 0.00 14 F 7.89 4.84 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.71 3.96 0.00 2.67 2.50 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 0.00 *17 T 7.77 4.18 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 18 I 8.05 3.22 1.81 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.89 0.78 0.00 0.00 19 E 8.04 3.84 0.00 1.99 1.93 0.00 0.00 0.00 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 2.41 0.00 20 E 8.09 3.94 0.00 2.23 2.12 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 2.37 2.39 0.00 21 C 7.73 3.93 0.00 1.79 1.18 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 4.45 4.16 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 1.20 0.00 0.00 23 I 7.19 3.54 1.37 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 -0.21 0.00 0.00 24 Y 7.70 4.45 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 4.32 2.20 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 1.45 0.63 1.19 0.00 0.00 26 T 7.99 4.30 4.60 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 1.81 0.00 0.00 27 Q 8.39 4.04 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 28 D 7.70 4.58 0.00 2.69 2.69 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 29 N 8.22 4.19 0.00 2.82 2.86 0.00 0.00 6.89 8.56 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 30 N 8.16 4.59 0.00 2.72 2.64 0.00 0.00 7.24 7.67 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 31 S 8.16 4.14 0.00 3.87 3.88 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 32 A 7.93 3.94 1.26 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 33 T 8.23 3.48 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 34 W 7.57 3.54 0.00 3.35 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 35 Q 8.48 4.20 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 36 R 7.80 3.97 0.00 1.89 1.96 0.00 3.08 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 37 W 7.84 4.51 0.00 3.23 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 38 E 8.18 4.11 0.00 2.07 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 2.41 2.50 0.00 39 A 8.01 4.39 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.73 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.55 0.00 2.73 2.77 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 42 I 7.35 4.75 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 0.96 0.00 0.00 43 P 0.00 4.34 0.00 2.11 2.05 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 44 I 7.55 2.05 1.36 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.11 -0.20 0.00 0.00 45 S 6.79 4.02 0.00 4.04 3.57 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 0.00 0.00 0.00 46 P 0.00 4.15 0.00 2.15 2.04 0.00 3.60 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 47 E 8.05 3.95 0.00 2.08 1.96 0.00 0.00 0.00 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 2.48 0.00 48 I 7.47 3.85 1.62 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.14 0.94 0.00 0.00 49 I 7.63 3.55 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.83 0.00 0.00 50 A 7.93 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.55 3.88 0.00 2.08 2.07 0.00 3.39 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 52 L 8.06 4.22 0.00 1.77 1.82 0.92 1.13 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 53 K 8.50 4.21 0.00 1.92 1.87 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 54 E 8.17 4.36 0.00 2.11 2.05 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 2.31 2.40 0.00 *56 K 8.11 4.38 0.00 2.15 1.94 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.73 7.81 57 A 8.24 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.90 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 59 R 8.06 3.95 0.00 2.16 2.24 0.00 2.94 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 60 Q 8.28 3.97 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 61 R 8.15 4.00 0.00 2.08 1.98 0.00 3.20 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 62 R 8.14 3.89 0.00 2.00 2.10 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 63 I 7.84 3.68 1.98 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 1.47 0.52 0.87 0.00 0.00 64 N 8.66 4.29 0.00 2.84 2.87 0.00 0.00 6.94 7.16 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 65 A 8.22 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.71 1.87 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 1.46 1.07 0.93 0.00 0.00 67 V 8.00 3.61 2.13 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 0.99 0.00 0.00 0.94 0.00 0.00 68 D 8.14 4.36 0.00 2.77 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.78 4.19 0.00 2.00 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.65 7.81 70 I 7.61 3.71 2.01 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 1.54 1.22 0.92 0.00 0.00 71 N 7.90 4.67 0.00 2.71 2.86 0.00 0.00 7.10 7.89 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 72 N 7.55 4.82 0.00 2.83 2.86 0.00 0.00 6.60 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.63 4.72 0.00 1.86 1.79 0.00 3.28 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 74 I 8.40 4.53 1.88 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 1.35 0.99 0.92 0.00 0.00 75 G 8.64 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 0.00 0.00 0.00 76 N 8.38 4.48 0.00 2.64 2.84 0.00 0.00 6.83 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.69 4.84 0.00 2.78 3.12 0.00 0.00 6.80 7.05 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 78 T 8.09 5.48 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 *80 R 8.37 4.18 0.00 1.67 0.79 0.00 3.27 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 81 Y 8.04 4.54 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 7.92 4.90 0.00 3.22 3.22 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 0.00 0.00 0.00 83 P 0.00 4.56 0.00 2.17 2.28 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 84 D 7.85 4.84 0.00 2.79 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 85 L 7.04 2.44 0.00 0.80 1.26 0.62 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.63 3.98 0.00 3.98 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 87 S 8.89 4.25 0.00 4.26 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 0.00 88 F 7.51 2.30 0.00 2.50 2.69 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 89 Q 8.02 4.08 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 90 S 7.42 4.09 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.07 4.05 1.34 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.08 0.12 0.00 0.00 92 Y 6.82 4.12 0.00 1.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.71 3.92 4.16 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 1.13 0.00 0.00 94 E 7.95 4.51 0.00 1.96 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 2.20 2.21 0.00 95 G 8.00 4.10 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 0.00 0.00 0.00 96 D 8.47 5.02 0.00 3.05 2.89 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 97 F 8.58 4.02 0.00 2.75 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 0.00 0.00 0.00 0.00 98 I 7.75 3.52 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.74 0.76 0.00 0.00 99 E 8.72 3.89 0.00 2.24 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 0.00 2.36 2.51 0.00 100 W 7.75 2.58 0.00 2.13 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 0.00 101 K 7.43 3.11 0.00 1.45 1.63 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.97 7.81 102 I 7.62 3.88 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 0.97 0.00 0.00 103 Y 7.94 3.94 0.00 3.11 2.95 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 0.00 104 Q 8.15 3.97 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.09 1.63 0.00 105 S 8.06 3.98 0.00 3.97 3.98 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 0.00 0.00 0.00 106 V 7.81 3.45 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 0.93 0.00 0.00 0.92 0.00 0.00 107 A 8.16 3.86 1.30 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 0.00 0.00 108 A 8.37 4.04 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 E 8.19 3.89 0.00 2.01 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 2.11 2.32 0.00 110 L 8.15 3.97 0.00 1.87 1.72 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.63 4.55 0.00 3.10 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 0.00 112 A 7.99 3.82 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.83 4.47 0.00 3.07 3.30 0.00 5.80 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.52 4.35 0.00 2.77 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 0.00 115 L 8.12 4.49 0.00 1.72 1.72 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.78 5.03 0.00 1.91 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 2.32 2.30 0.00 117 R 8.76 4.85 0.00 1.79 1.86 0.00 3.44 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 118 L 8.18 5.00 0.00 1.13 1.41 0.25 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.24 4.30 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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.