NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2735 8.2033 118.8196 55.8200 29.0776 174.6156 0 L 4.7440 8.3831 122.5582 51.0111 42.7535 171.9673 1 V 3.8851 8.9158 121.8972 61.7648 33.2517 176.0378 2 K 4.1209 8.9550 124.4882 58.7403 33.3600 176.5123 3 K 4.9400 8.1302 123.7801 54.7711 34.2590 174.4496 4 V 4.9684 9.0907 128.4480 60.9823 34.4838 173.8960 5 L 5.0456 8.9105 129.6172 53.3033 44.4324 174.6510 6 L 5.0726 9.0692 129.9734 54.2382 43.4342 174.9877 7 I 5.1032 9.0981 128.2904 59.7193 39.7834 174.4740 8 N 5.4133 9.0959 124.2894 51.6651 41.4773 175.6426 9 G 4.3271 9.0900 113.3100 44.0883 0.0000 171.6563 10 P 4.5062 0.0000 0.0000 63.9839 31.8673 177.4771 11 N 4.4238 9.4786 117.8354 54.4856 38.7765 176.8662 12 L 3.9890 8.4525 118.6591 58.7978 41.7841 180.3821 13 N 3.9252 7.3065 113.5065 55.2538 38.2948 174.9664 14 L 4.4287 8.3354 118.6621 54.2057 42.1836 175.8998 15 L 4.3571 8.1230 121.5750 54.9443 41.2359 176.1896 16 G 4.1762 8.0342 111.8402 44.4440 0.0000 172.7435 17 T 4.3354 8.6029 122.3780 63.2946 69.8272 176.2597 18 R 4.0044 7.9082 121.1947 58.5807 30.5208 176.6296 *23 Y 4.4876 7.7061 115.2609 56.5837 40.4434 174.4661 24 G 4.0995 7.7734 107.3894 44.2782 0.0000 174.1888 25 T 4.1484 8.0256 111.6056 61.1366 67.7020 175.5063 26 T 4.1639 7.5644 119.2116 63.7153 69.5135 175.9174 27 S 5.5078 8.6301 123.9930 56.5141 66.1073 174.8920 28 L 3.9011 8.1683 122.1137 58.1620 41.8186 178.3300 29 S 4.0912 8.0405 112.6814 61.4150 62.2171 175.9013 30 D 4.3339 7.7897 121.5222 57.3503 40.6137 178.6803 31 I 3.6471 7.3877 120.2305 64.3836 36.9419 178.3495 32 E 3.9782 7.9443 119.0504 59.2251 29.2476 179.2822 33 Q 3.9672 8.1981 118.0541 58.5306 28.7145 178.6233 34 A 3.9066 8.0563 121.7069 55.3023 18.5334 178.9143 35 A 3.8868 7.9192 119.0185 55.7790 18.3727 179.6192 36 I 3.6242 8.0447 117.1668 64.7216 37.3205 178.4253 37 E 3.9027 8.2965 118.5723 59.9913 29.5537 179.4157 38 Q 3.7711 8.5493 119.8059 59.0200 29.2747 179.1356 39 A 3.9482 8.1032 121.8195 55.1051 18.4147 179.2795 40 K 3.7847 7.9510 116.4884 59.8070 32.1409 179.0809 41 L 3.9730 8.1477 118.7518 57.3048 41.3550 178.4656 42 K 4.0689 8.2757 117.6781 57.8416 31.8975 177.9087 43 N 4.3493 8.6013 116.9450 53.4186 37.7883 173.4519 44 N 5.0385 7.2643 115.3335 53.8544 37.6587 173.9789 45 D 4.4089 8.2194 112.2440 56.6018 38.8947 174.3777 46 S 4.8478 7.2386 111.0054 58.2267 64.5810 174.1413 47 E 4.6339 9.0051 122.6650 54.9122 33.3643 173.8403 48 V 4.8458 8.4729 126.8090 61.3856 32.9703 174.7673 49 L 4.6203 8.8360 128.7384 54.0152 43.4286 176.2416 50 V 5.0155 8.3492 114.9738 59.7305 34.3242 174.8135 51 F 5.0484 9.4819 125.6064 56.8835 43.3224 173.0822 52 Q 5.4147 7.0073 122.1288 55.5110 31.8131 173.1839 53 S 4.6003 8.3175 117.9694 57.7636 65.1207 173.7426 54 N 4.6019 8.9117 120.2705 54.1941 39.3990 175.9117 55 T 4.2852 7.7873 116.9174 61.9162 69.5546 174.3571 56 E 3.6513 8.8221 127.3583 59.4683 29.4736 178.8721 57 G 3.7210 7.8726 104.6285 48.1805 0.0000 175.2011 58 F 4.6674 8.0779 120.0950 60.3986 38.8563 177.7571 59 I 3.8171 8.0527 119.4702 64.3212 36.9315 178.4748 60 I 3.5870 7.9807 120.8515 64.4155 36.9593 178.0035 61 D 4.2273 8.5253 119.9342 57.4697 40.6782 179.0981 62 R 3.5925 7.8711 119.0852 59.3313 29.8346 178.2982 63 I 3.6309 7.7818 119.8355 64.8418 36.9695 177.9796 64 H 4.1395 8.2337 116.7079 59.0355 28.5301 177.5665 65 E 3.9493 8.2666 120.5843 58.9771 29.3288 178.6925 66 A 4.3341 7.9406 122.5655 53.9937 18.4760 179.3135 67 K 3.7866 7.7768 118.2436 59.8944 32.1285 178.9107 68 R 3.9769 7.5430 116.8245 58.7168 29.6270 177.2148 69 Q 4.5817 7.6596 114.4448 55.0817 29.1751 176.7800 70 G 3.9764 8.1365 108.3809 45.1757 0.0000 174.1021 71 V 3.7622 7.7800 120.1142 63.2556 31.7144 176.0784 72 G 4.0116 9.0894 115.5405 48.5847 0.0000 173.6200 73 F 4.9995 8.0326 120.5600 56.8155 43.2131 173.0511 74 V 4.9392 8.6810 125.0385 61.1473 34.4218 174.1117 75 V 4.9853 9.0632 128.0587 61.3132 33.9499 174.1884 76 I 5.1873 9.0321 127.5074 59.5077 41.8166 173.0914 77 N 5.4140 9.7564 128.3678 51.1870 40.2132 174.4996 78 A 4.3598 8.7880 128.7958 51.6198 20.2926 178.3831 79 G 3.7614 8.3210 105.6802 45.9046 0.0000 175.6462 80 A 4.0861 8.7140 120.0283 55.9866 18.2954 179.1300 81 Y 4.9007 7.5896 115.6338 60.5405 37.7377 178.8274 82 T 4.0430 8.2991 117.5094 66.5897 68.3372 175.1414 83 H 4.6226 8.5922 115.8871 56.1355 29.4661 175.7151 84 T 4.6247 7.9828 109.4358 61.4084 70.7327 173.0859 85 S 4.6538 8.6788 117.8038 56.6720 61.5141 174.2792 86 V 3.4919 7.7107 127.9781 64.8671 31.4025 177.7087 87 G 3.4955 7.7820 105.4770 47.9422 0.0000 175.6396 88 I 3.6977 7.7093 122.5414 63.6871 36.9466 178.5561 89 R 3.7401 7.5402 118.2916 59.6378 29.9723 178.4518 90 D 4.3145 8.3376 118.3038 56.7782 40.6230 178.7971 91 A 3.9854 7.6530 121.3391 55.0281 18.5560 179.6097 92 L 3.8002 7.6799 117.5021 57.8997 41.4237 179.8280 93 L 4.1114 8.0304 118.0878 57.5993 41.7229 179.2731 94 G 3.8233 8.2564 103.7487 45.9520 0.0000 174.8469 95 T 4.2659 8.1268 110.8117 60.6775 69.2316 175.0119 96 A 3.5810 7.5969 123.2572 53.3023 16.6098 177.0833 97 I 4.2240 6.9675 117.1839 61.0950 38.2549 174.7024 98 P 4.5137 0.0000 0.0000 62.6507 32.5770 175.1370 99 F 5.6465 7.5647 115.2815 55.2940 41.9743 172.8551 100 I 4.7777 8.5060 119.1182 59.4782 41.1248 174.1290 101 E 4.8834 8.7881 127.7399 55.1781 30.4918 174.6877 102 V 4.5606 8.9726 127.7525 61.4609 34.2277 173.9964 103 H 5.0303 8.5503 123.8506 54.0400 31.7204 174.6688 104 I 3.9414 8.7028 124.4066 64.0012 38.1288 176.3640 105 T 4.6394 7.7605 109.7061 59.6627 71.0931 173.3746 106 N 4.6096 8.2501 119.8994 52.1420 38.3324 175.6698 107 V 3.5429 8.0900 120.5541 64.3412 31.8388 178.3982 108 H 4.2607 7.9025 115.4307 57.9112 28.6007 175.9755 109 Q 4.2937 8.0725 117.4211 56.5452 29.3844 176.1210 110 R 4.6599 7.2709 118.3234 54.6587 32.1512 175.4343 111 E 3.8527 8.2959 118.5340 56.8005 30.3237 175.8746 112 P 3.8738 0.0000 0.0000 65.6440 31.3760 178.4862 113 F 4.2331 8.0239 112.0875 59.3085 37.6318 176.5211 114 R 3.6390 7.0206 118.9641 56.9330 30.2051 177.1147 115 H 4.4294 7.8609 115.2480 57.9129 29.0423 175.8350 116 Q 4.2412 7.4303 118.7402 55.1780 29.2272 175.2751 117 S 4.7948 8.2347 116.2196 56.8225 65.1959 173.0182 118 Y 4.6317 9.3351 124.3087 58.4977 38.1747 175.8503 119 L 4.8165 7.8760 120.6078 56.3732 44.0907 178.5305 120 S 4.2836 8.7678 114.6609 60.9960 62.7991 176.5645 121 D 4.4841 8.1523 116.6617 54.9706 39.3672 176.6294 122 K 4.4132 8.2180 117.7967 56.0221 33.5333 176.3853 123 A 2.7456 7.2140 121.8995 51.1531 18.8555 177.7593 124 V 3.7949 7.6747 120.4270 66.0051 32.1684 176.0554 125 A 4.4833 7.3601 118.9285 50.9066 22.6262 175.1631 126 V 4.7024 8.2272 118.8508 61.1372 34.1829 174.7222 127 I 4.6110 8.4113 128.9566 59.5289 39.6503 174.5017 128 C 5.0182 8.7003 121.4908 57.7443 32.3193 174.2014 129 G 3.9897 9.1480 111.2743 45.4970 0.0000 173.3531 130 L 4.4562 7.7951 118.7659 53.7299 42.9822 178.3945 131 G 3.8534 7.8547 106.1320 46.2241 0.0000 175.6026 132 V 3.9195 8.3700 117.3535 65.6757 32.2068 178.2367 133 Y 4.5980 8.4806 120.5248 60.6201 38.2901 178.0193 134 G 3.7178 8.0403 106.8373 48.2478 0.0000 175.1419 135 Y 4.1358 7.8558 118.8901 60.9191 37.8292 178.5556 136 T 4.5919 8.3623 117.2871 66.1363 68.5805 176.1577 137 A 3.7820 7.8226 122.2515 55.0960 18.3772 179.2384 138 A 3.8946 7.8443 119.2461 55.5117 18.3121 179.8856 139 I 3.7986 7.6003 117.5500 64.1546 37.2685 178.0039 140 E 3.9380 8.2666 118.7810 59.8308 29.6108 178.7939 141 Y 4.0328 8.1419 118.9716 60.4610 38.6927 176.9744 142 A 2.6630 7.9995 120.6878 55.1544 18.5037 179.4928 143 L 4.0576 8.1858 115.3149 56.4952 41.7454 177.7228 144 N 4.9206 7.5649 116.3909 52.9899 39.5748 173.6667 145 Y 4.5491 7.6627 118.0303 55.5140 41.4791 174.6098 146 Q 4.4642 7.6318 126.0011 55.1699 30.1759 175.4088 147 L 4.5167 8.3273 121.8455 54.4573 43.1366 174.1126 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 -1 Q 8.20 4.27 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 0 L 8.38 4.74 0.00 1.71 1.74 0.88 0.71 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 1 V 8.92 3.89 2.24 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 0.93 0.00 0.00 1.06 0.00 0.00 2 K 8.96 4.12 0.00 1.73 2.13 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.40 7.81 3 K 8.13 4.94 0.00 1.83 1.70 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.43 7.81 4 V 9.09 4.97 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 1.10 0.00 0.00 0.97 0.00 0.00 5 L 8.91 5.05 0.00 1.82 1.55 1.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.07 5.07 0.00 1.86 1.58 1.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.10 5.10 1.98 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 1.35 0.75 1.09 0.00 0.00 8 N 9.10 5.41 0.00 2.70 2.71 0.00 0.00 6.51 7.20 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 9 G 9.09 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.51 0.00 1.94 2.02 0.00 3.73 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.00 11 N 9.48 4.42 0.00 2.87 2.99 0.00 0.00 7.24 6.28 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 12 L 8.45 3.99 0.00 1.83 1.76 1.03 0.83 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 13 N 7.31 3.93 0.00 2.81 3.04 0.00 0.00 5.98 7.79 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 14 L 8.34 4.43 0.00 1.70 1.70 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.12 4.36 0.00 1.83 1.81 0.98 0.46 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 16 G 8.03 4.18 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 0.00 0.00 0.00 17 T 8.60 4.34 4.22 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 1.19 0.00 0.00 18 R 7.91 4.00 0.00 1.77 1.95 0.00 3.31 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 *23 Y 7.71 4.49 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 24 G 7.77 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 25 T 8.03 4.15 4.19 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 0.00 0.00 0.00 1.11 0.00 0.00 26 T 7.56 4.16 4.26 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 1.23 0.00 0.00 27 S 8.63 5.51 0.00 4.04 3.99 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 0.00 0.00 0.00 28 L 8.17 3.90 0.00 1.74 1.65 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.04 4.09 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.79 4.33 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.39 3.65 1.68 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 1.46 0.77 0.15 0.00 0.00 32 E 7.94 3.98 0.00 1.95 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 2.21 2.55 0.00 33 Q 8.20 3.97 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 34 A 8.06 3.91 1.38 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 0.00 0.00 0.00 35 A 7.92 3.89 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 36 I 8.04 3.62 2.06 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 1.71 0.98 0.92 0.00 0.00 37 E 8.30 3.90 0.00 2.17 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 2.46 2.45 0.00 38 Q 8.55 3.77 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 39 A 8.10 3.95 1.38 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 0.00 0.00 0.00 40 K 7.95 3.78 0.00 1.84 1.90 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 41 L 8.15 3.97 0.00 1.57 1.85 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.28 4.07 0.00 1.98 1.86 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.77 1.58 7.81 43 N 8.60 4.35 0.00 2.84 3.01 0.00 0.00 6.93 7.95 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 44 N 7.26 5.04 0.00 3.04 2.94 0.00 0.00 6.96 7.95 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 45 D 8.22 4.41 0.00 2.82 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 46 S 7.24 4.85 0.00 3.73 3.79 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 47 E 9.01 4.63 0.00 2.02 1.75 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 2.23 2.27 0.00 48 V 8.47 4.85 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 0.90 0.00 0.00 0.96 0.00 0.00 49 L 8.84 4.62 0.00 1.68 1.60 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.35 5.02 2.27 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 0.68 0.00 0.00 0.94 0.00 0.00 51 F 9.48 5.05 0.00 3.03 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 52 Q 7.01 5.41 0.00 1.92 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.08 0.00 53 S 8.32 4.60 0.00 3.92 3.93 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 54 N 8.91 4.60 0.00 2.75 2.83 0.00 0.00 6.93 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 55 T 7.79 4.29 3.73 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 0.26 0.00 0.00 56 E 8.82 3.65 0.00 1.18 1.64 0.00 0.00 0.00 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 1.86 0.00 57 G 7.87 3.72 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 0.00 58 F 8.08 4.67 0.00 3.28 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.05 3.82 2.11 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.08 1.00 0.00 0.00 60 I 7.98 3.59 1.99 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 1.43 0.96 0.75 0.00 0.00 61 D 8.53 4.23 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.87 3.59 0.00 1.00 1.45 0.00 2.83 0.00 0.00 2.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 63 I 7.78 3.63 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.88 0.00 0.00 64 H 8.23 4.14 0.00 3.34 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.27 3.95 0.00 2.03 2.02 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 2.24 2.32 0.00 66 A 7.94 4.33 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 67 K 7.78 3.79 0.00 1.80 1.99 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.48 7.81 68 R 7.54 3.98 0.00 1.79 2.11 0.00 3.52 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 69 Q 7.66 4.58 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.39 0.00 0.00 0.00 0.00 0.00 2.27 2.62 0.00 70 G 8.14 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 0.00 0.00 0.00 71 V 7.78 3.76 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 0.88 0.00 0.00 0.95 0.00 0.00 72 G 9.09 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 0.00 0.00 0.00 73 F 8.03 5.00 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.68 4.94 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 1.02 0.00 0.00 0.94 0.00 0.00 75 V 9.06 4.99 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 1.02 0.00 0.00 1.13 0.00 0.00 76 I 9.03 5.19 1.94 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 1.17 1.52 1.13 0.00 0.00 77 N 9.76 5.41 0.00 2.85 2.87 0.00 0.00 6.95 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 78 A 8.79 4.36 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 79 G 8.32 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 80 A 8.71 4.09 1.27 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 0.00 0.00 0.00 81 Y 7.59 4.90 0.00 3.18 2.96 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 0.00 0.00 0.00 82 T 8.30 4.04 4.02 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 1.25 0.00 0.00 83 H 8.59 4.62 0.00 3.22 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.98 4.62 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 1.35 0.00 0.00 85 S 8.68 4.65 0.00 3.64 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 86 V 7.71 3.49 1.76 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 0.87 0.00 0.00 -0.19 0.00 0.00 87 G 7.78 3.50 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 0.00 0.00 0.00 88 I 7.71 3.70 1.83 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.41 0.83 0.00 0.00 89 R 7.54 3.74 0.00 2.12 2.01 0.00 3.10 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 90 D 8.34 4.31 0.00 2.74 2.67 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 91 A 7.65 3.99 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 92 L 7.68 3.80 0.00 1.52 1.40 -0.31 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.03 4.11 0.00 1.59 1.74 0.96 1.07 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 94 G 8.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.13 4.27 4.21 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 1.17 0.00 0.00 96 A 7.60 3.58 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 97 I 6.97 4.22 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.88 0.00 0.00 98 P 0.00 4.51 0.00 0.93 1.63 0.00 3.54 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 99 F 7.56 5.65 0.00 3.11 2.91 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 0.00 100 I 8.51 4.78 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.98 0.00 0.00 101 E 8.79 4.88 0.00 2.20 1.85 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 2.24 2.29 0.00 102 V 8.97 4.56 1.73 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 0.27 0.00 0.00 0.79 0.00 0.00 103 H 8.55 5.03 0.00 3.04 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.70 3.94 1.92 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 1.49 1.06 0.95 0.00 0.00 105 T 7.76 4.64 4.25 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 1.24 0.00 0.00 106 N 8.25 4.61 0.00 2.77 2.87 0.00 0.00 6.88 7.71 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 0.00 107 V 8.09 3.54 1.92 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 0.60 0.00 0.00 0.62 0.00 0.00 108 H 7.90 4.26 0.00 3.11 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.07 4.29 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 110 R 7.27 4.66 0.00 1.80 1.67 0.00 3.13 0.00 0.00 3.14 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 111 E 8.30 3.85 0.00 1.16 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 2.47 2.33 0.00 112 P 0.00 3.87 0.00 2.14 2.11 0.00 3.50 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 113 F 8.02 4.23 0.00 3.23 3.33 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 0.00 0.00 0.00 0.00 114 R 7.02 3.64 0.00 1.48 1.71 0.00 2.93 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.57 0.00 115 H 7.86 4.43 0.00 3.20 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.43 4.24 0.00 2.24 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 117 S 8.23 4.79 0.00 3.79 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 0.00 118 Y 9.34 4.63 0.00 3.08 2.97 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 0.00 0.00 0.00 119 L 7.88 4.82 0.00 1.87 2.12 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.77 4.28 0.00 3.89 3.96 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 0.00 0.00 0.00 121 D 8.15 4.48 0.00 2.81 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 0.00 122 K 8.22 4.41 0.00 1.95 2.03 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.60 7.81 123 A 7.21 2.75 0.84 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 0.00 0.00 124 V 7.67 3.79 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 0.95 0.00 0.00 0.82 0.00 0.00 125 A 7.36 4.48 0.96 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 0.00 0.00 0.00 0.00 0.00 126 V 8.23 4.70 2.06 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 0.97 0.00 0.00 0.95 0.00 0.00 127 I 8.41 4.61 1.75 0.00 0.00 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 1.15 0.49 0.79 0.00 0.00 128 C 8.70 5.02 0.00 2.93 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 0.00 129 G 9.15 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.80 4.46 0.00 1.56 1.63 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.85 3.85 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 0.00 0.00 0.00 132 V 8.37 3.92 2.20 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 1.10 0.00 0.00 1.08 0.00 0.00 133 Y 8.48 4.60 0.00 3.04 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 3.72 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 0.00 135 Y 7.86 4.14 0.00 3.19 2.97 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 0.00 0.00 0.00 136 T 8.36 4.59 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 1.42 0.00 0.00 137 A 7.82 3.78 0.93 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 0.00 0.00 138 A 7.84 3.89 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 0.00 139 I 7.60 3.80 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.95 0.96 0.00 0.00 140 E 8.27 3.94 0.00 2.06 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 2.40 2.54 0.00 141 Y 8.14 4.03 0.00 2.98 2.97 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 0.00 0.00 0.00 142 A 8.00 2.66 0.96 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 0.00 0.00 0.00 0.00 0.00 143 L 8.19 4.06 0.00 1.58 1.71 0.92 1.01 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 0.00 144 N 7.56 4.92 0.00 2.62 2.65 0.00 0.00 6.67 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 7.66 4.55 0.00 2.64 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 0.00 146 Q 7.63 4.46 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 5.88 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 147 L 8.33 4.52 0.00 1.72 1.53 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.