NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.6051 8.0433 120.5807 55.2822 44.3454 175.6646 3 T 4.7905 8.7632 116.8808 62.3537 71.9115 171.7560 4 I 4.6308 9.2504 129.1631 60.4688 39.4204 175.6712 5 G 4.4201 9.3360 113.5030 44.8217 0.0000 172.9069 6 V 4.6681 8.3729 119.4789 60.5255 34.5526 173.9715 7 L 3.9385 8.3682 131.2873 55.5413 42.2918 176.4982 8 G 4.0407 8.4254 114.3539 46.1895 0.0000 174.1726 9 L 4.0701 7.8619 123.0725 57.1152 41.7520 176.7782 10 Q 4.2823 7.3770 116.4252 55.3924 32.2209 174.5184 11 G 3.7656 8.3501 109.3518 44.6158 0.0000 172.2088 12 A 4.6825 8.2438 120.7315 50.7228 20.8343 177.5152 13 V 4.3457 8.0009 113.0381 61.2868 34.5732 178.0106 14 R 3.8692 8.2987 119.8444 59.8269 29.7762 177.7402 15 E 4.0280 8.1334 117.9669 59.2885 29.5948 178.2435 16 H 4.2871 8.1278 116.1978 58.7967 28.8647 177.5619 17 I 3.7619 7.7686 121.2954 64.4700 36.8782 178.0274 18 H 4.1802 8.1436 119.1219 59.0889 29.6300 177.0777 19 A 3.7801 7.9379 122.4598 55.2765 18.0191 179.6137 20 I 3.7032 7.8435 117.1177 64.6174 37.4183 178.2548 21 E 4.4543 8.4436 120.4020 58.9837 29.1146 179.0270 22 A 3.7731 8.0463 119.8396 55.3273 18.2687 178.4342 23 C 4.5610 7.5516 112.5105 58.5678 29.5753 173.4223 24 G 3.7252 8.6677 112.3145 44.3349 0.0000 172.9493 25 A 4.4640 7.0692 121.2265 51.4165 22.8178 175.9950 26 A 4.3055 8.5262 122.3720 51.7592 20.0685 176.9524 27 G 4.4259 8.5808 106.6618 44.2447 0.0000 171.8362 28 L 4.7692 8.7570 126.4083 53.0906 45.1752 175.9537 29 V 4.3376 8.5816 126.6549 62.1590 30.7556 173.9453 30 V 3.7662 8.4452 126.3687 63.1868 31.9297 175.9909 31 K 4.6781 8.9763 126.5883 56.2179 34.0105 176.7036 32 R 4.7274 7.7548 117.8216 53.0437 34.2270 173.9517 33 P 3.7652 0.0000 0.0000 65.6429 31.3191 178.4667 34 E 3.9862 8.1197 115.6486 59.6077 29.2345 178.8543 35 Q 4.3299 8.4782 118.8587 58.2534 28.4821 178.3668 36 L 4.1052 7.8031 119.3484 57.2139 41.6665 178.3894 37 N 4.6865 8.1064 115.4690 54.9907 38.7574 175.6184 38 E 4.3862 8.2205 118.4167 56.7452 30.1291 176.4980 39 V 4.7374 7.5447 111.3722 59.6234 34.8534 175.1476 40 D 4.6620 9.0145 121.9025 56.1216 41.6521 176.5623 41 G 4.2967 7.7794 103.9712 45.2404 0.0000 171.7358 42 L 5.4111 9.5556 122.3620 53.1530 45.5692 175.6344 43 I 4.3421 8.6642 126.3600 59.5573 39.8030 174.9075 44 L 4.0255 8.5277 128.9941 52.8534 41.4219 176.0127 45 P 3.8911 0.0000 0.0000 64.1430 32.4058 178.3656 46 G 3.6763 7.3943 105.3489 47.0081 0.0000 172.3841 47 G 3.9873 8.1801 112.4010 43.9210 0.0000 172.5005 48 E 4.3587 7.8505 126.5463 53.1606 30.4524 176.5303 49 S 3.8589 8.2106 119.2955 62.6559 63.0530 175.5202 50 T 4.0052 7.9350 115.5379 67.2324 68.9330 177.2367 51 T 3.8319 7.4529 113.5755 64.5508 67.5645 175.9852 *53 R 4.1547 8.0990 122.8376 56.3403 31.8056 177.8531 54 R 4.0108 7.5782 114.6793 59.1062 28.9199 178.8023 55 L 3.7829 7.7777 119.9582 57.5653 41.6498 179.4456 56 I 3.9654 7.6057 112.3173 63.6565 37.3915 178.0037 57 D 4.3715 7.8443 120.4731 57.4648 40.7370 178.5244 58 T 4.0889 7.8899 107.0850 63.7645 68.7990 174.2232 59 Y 4.4916 7.7964 117.7499 56.9229 38.8485 175.5747 60 Q 3.3099 7.9997 120.0666 57.4240 27.9663 173.9231 61 F 4.6625 8.6791 111.8360 57.5789 40.4686 178.8909 *63 E 4.3085 8.2444 121.0066 56.1367 31.5619 176.9523 64 P 4.4860 0.0000 0.0000 65.6823 31.3574 178.6346 65 L 4.0809 8.3915 117.9336 57.8702 41.3768 179.7872 66 R 4.1574 7.9507 117.6561 59.0578 30.1780 178.6057 67 E 4.0461 8.2918 118.6565 58.9993 29.5570 179.0279 68 F 4.0705 8.7392 121.0488 61.2395 39.5249 177.0053 69 A 4.3368 8.3322 120.1819 55.3475 18.0502 179.5403 70 A 4.0873 8.1420 118.0881 54.9386 18.5058 179.0160 71 Q 4.2159 7.6804 114.4099 56.1746 28.8974 177.1980 72 G 3.8973 7.8801 108.4800 45.2090 0.0000 174.1674 73 K 2.7077 6.7920 118.6411 54.9524 32.2903 175.4784 74 P 4.9177 0.0000 0.0000 61.8480 33.2297 174.6032 *76 F 4.9065 8.5290 121.4371 58.4972 40.5775 174.0769 77 G 4.1406 9.0455 115.6731 44.9321 0.0000 171.5860 78 T 4.5648 7.7909 117.0492 59.5215 71.5704 174.5638 79 C 4.0605 8.4307 124.1718 59.9033 32.8818 176.0548 80 A 3.9402 8.7594 119.4132 54.9661 17.9893 180.1828 81 G 3.5192 8.3526 103.2120 47.7789 0.0000 175.5579 82 L 3.8763 7.9699 122.8314 57.9597 41.8361 179.0710 83 I 3.6507 7.1675 118.0607 64.5752 37.2701 177.9544 84 I 3.6536 7.6095 119.9341 64.4887 36.8648 178.1067 85 L 3.9169 8.0890 120.5240 58.8664 42.3059 175.6649 86 A 4.9891 8.0833 122.2566 50.1447 22.2623 175.7526 87 K 4.8240 8.4836 112.6225 55.2339 35.7532 176.1047 88 E 4.9102 8.4931 122.1343 54.2532 32.0218 175.4723 89 I 3.4851 8.9362 119.9347 62.3282 38.4595 177.7868 90 A 3.0599 6.9681 121.7008 50.9680 20.8030 177.4105 91 G 4.1388 8.0573 105.5572 43.2599 0.0000 173.8776 92 S 4.3721 8.5764 115.5587 57.4663 65.0748 176.3076 93 D 4.3141 8.7243 116.8774 55.4731 37.5599 179.0623 94 N 4.7102 6.8546 119.7411 50.5768 40.1358 171.1703 95 P 4.3497 0.0000 0.0000 63.1669 32.4054 174.4067 96 H 5.1819 8.0256 115.0258 54.8687 30.9263 174.5261 97 L 3.7760 8.0858 120.5386 57.5897 41.7323 177.8121 98 G 4.4560 7.2541 104.7000 46.1718 0.0000 174.2338 99 L 3.9123 7.9532 119.9837 55.5151 42.3878 177.4415 100 L 4.1246 7.1930 121.2604 53.7410 42.8263 176.6075 101 N 5.0250 10.0597 131.1109 53.6224 36.4288 174.1820 102 V 4.8754 7.3298 119.6647 60.0507 36.2299 175.9880 103 V 4.8472 8.8826 122.8102 61.4271 33.2576 174.6645 104 V 4.9455 9.0389 127.7487 61.0600 34.3380 174.0254 105 E 4.7757 9.1174 127.3072 54.2196 32.2163 175.3304 106 R 4.4747 8.5633 126.1508 55.7063 31.2069 175.2728 107 N 4.6834 8.9084 122.2068 54.5726 39.1548 174.4963 108 S 4.6371 8.7609 116.2136 57.6177 64.5765 174.2119 109 F 4.3939 8.8693 121.0082 56.8427 39.6654 175.7644 110 G 3.9132 8.5713 112.5139 45.1865 0.0000 174.7202 111 R 4.7682 8.5268 118.3397 58.1441 30.1038 177.9816 112 Q 4.4346 8.0236 114.3163 56.5862 29.4395 176.3464 113 V 4.5254 7.8996 110.8346 61.1245 32.9517 175.6665 114 D 4.8317 8.2948 117.6801 53.4195 39.8544 175.4142 115 S 5.9583 7.7741 114.7299 55.9221 66.8442 172.9472 116 F 4.7207 7.5907 115.8555 57.0129 39.9570 172.1242 117 E 5.5234 9.1885 118.0272 54.2438 32.9045 175.6013 118 A 4.5721 8.1513 120.8014 50.9540 22.7614 175.4989 119 D 4.8504 8.9263 123.3997 54.4823 41.5725 175.8874 120 L 4.8463 10.0933 123.0905 53.2845 45.5526 176.0031 121 T 4.7086 8.5687 118.4307 62.3677 69.6133 173.8790 122 I 4.4959 8.0409 128.0271 58.7165 38.8051 175.3791 123 K 4.0818 9.1009 127.9114 58.6615 32.1040 175.6748 124 G 4.1018 8.8581 115.5241 45.4761 0.0000 173.3348 125 L 4.6592 7.9654 119.2554 53.1026 43.1582 175.4946 126 D 4.4978 8.1563 121.7434 56.4064 41.9925 176.1080 127 E 4.1629 7.7621 121.1808 55.0486 30.5865 174.8558 128 P 4.6625 0.0000 0.0000 63.2865 31.7875 175.1058 129 F 4.7739 9.3921 124.0897 56.6923 42.3881 174.2537 130 T 4.3172 7.5075 122.6583 62.5830 69.0872 174.2456 131 G 3.5486 8.5800 115.0199 44.7653 0.0000 172.3420 132 V 4.3275 8.1827 124.7621 61.4293 33.1381 174.2932 133 F 4.6549 8.7117 128.3813 56.1785 40.3766 175.4702 134 I 4.7580 7.9327 124.0540 59.5271 40.1833 175.2918 135 R 3.8654 9.2693 128.4237 56.5989 28.2792 176.9887 136 A 4.2080 8.1700 117.7426 52.0075 19.0269 176.9031 137 P 4.7663 0.0000 0.0000 62.5370 33.1085 175.2092 138 H 4.9613 9.1958 118.7580 54.1192 31.7311 173.5362 139 I 4.5207 8.4918 124.3341 60.9533 36.8125 175.7751 140 L 4.3256 8.8460 128.8394 57.3051 42.5318 177.3815 141 E 4.8350 7.8911 116.8901 54.9671 32.9999 173.8680 142 A 5.0206 8.5206 126.9109 49.7629 22.3686 176.1134 143 G 3.9690 8.9281 108.9733 45.7358 0.0000 174.5221 144 E 4.2980 8.9479 117.8310 57.8360 29.7024 177.2111 145 N 4.7935 8.0430 115.7172 52.7088 38.1119 174.5346 146 V 4.5455 7.4484 112.5686 59.8526 33.9863 174.8529 147 E 4.4021 9.3658 126.5206 55.0985 31.1264 175.1896 148 V 4.2063 8.4368 127.4851 62.9674 31.7087 175.4702 149 L 4.4789 9.0602 128.5003 56.0910 43.2585 176.4200 150 S 5.0270 7.6424 110.6690 57.5710 65.7704 173.8004 151 E 5.3615 8.5237 124.9196 54.9470 33.7259 173.5900 152 H 5.0876 9.2066 124.3235 55.6475 32.7157 173.1616 153 N 4.1716 9.7948 124.8701 54.4028 35.9637 175.4582 154 G 4.4774 8.4118 104.5532 45.7903 0.0000 174.0110 155 R 4.5949 7.9090 119.9052 54.1753 31.7567 175.7846 156 I 4.3462 8.4048 123.5073 61.7724 37.5121 176.0831 157 V 4.6754 8.8271 117.5864 61.2831 34.3409 175.5004 158 A 5.0762 7.9733 122.5875 50.6512 22.4088 174.9619 159 A 5.2137 9.4794 124.3289 50.0507 23.2095 174.6386 160 K 4.9686 9.2677 120.3187 54.9663 36.3822 175.6422 161 Q 4.4709 9.6748 128.4527 56.0309 31.3629 177.1470 162 G 3.9435 9.0754 119.5086 46.6601 0.0000 173.6469 163 Q 4.0280 8.7310 126.1339 56.8819 29.8189 175.3316 164 F 5.2097 8.1275 119.1439 56.2563 41.2930 174.6793 165 L 5.1961 8.6588 123.4529 53.4974 45.5192 175.1448 166 G 4.7201 9.5243 112.8154 44.9912 0.0000 170.9338 167 C 5.2298 8.4749 114.6839 56.9739 32.7671 174.6522 168 S 4.5056 8.8977 115.8545 58.9650 63.5704 173.8144 169 F 4.1669 6.9786 115.4027 55.5016 39.9000 175.1992 170 H 4.5829 8.7633 118.9971 53.5150 27.6256 174.4051 171 P 4.8943 0.0000 0.0000 65.3464 31.9227 178.1635 172 E 4.1859 8.1460 116.5012 58.5575 29.8581 177.5607 173 L 4.2179 7.3674 117.6756 55.1459 41.3421 175.8302 174 T 4.6307 7.6035 112.7995 60.8614 70.5282 172.9814 175 E 4.2927 8.4960 120.0551 56.1071 30.0689 175.7591 176 D 4.5533 7.4779 119.2502 53.9735 41.3308 175.7145 177 H 5.0060 8.5895 123.1462 55.9942 28.9020 176.9340 178 R 3.9957 8.4958 123.0386 59.4358 30.1415 178.8612 179 V 3.5546 7.5536 117.4702 66.2383 31.5282 177.9745 180 T 4.0281 8.0458 115.0442 66.8030 68.2323 176.0854 181 Q 3.9743 8.2284 121.4543 59.0266 28.7956 178.2696 182 L 3.9422 7.5136 119.3600 57.7465 41.7283 179.0046 183 F 4.3190 7.9024 118.8845 61.2745 39.7915 176.7874 184 V 3.5983 8.1375 118.2069 65.7704 31.2728 178.5353 185 E 4.1176 8.3836 118.0803 56.4810 29.2838 179.1049 *187 V 3.8856 7.8469 120.7895 62.9488 33.6074 177.2434 188 E 3.9727 8.0444 119.2870 59.2358 28.9890 178.7938 189 E 3.8940 8.0059 118.5493 59.3066 29.9366 177.9945 190 Y 4.1212 7.7639 119.3056 60.3987 38.8510 177.5164 191 K 3.6741 8.1257 119.5693 59.0709 31.8283 178.1887 192 Q 4.3711 7.7011 117.0683 56.2262 28.8531 176.0317 193 K 4.2687 7.4327 117.7218 55.7097 34.5700 176.0141 194 A 3.8839 7.2887 122.1526 50.9616 17.9490 177.0705 195 L 4.1070 8.2521 124.2596 55.9642 40.5784 177.4090 196 V 3.9477 7.9743 122.6452 62.9965 31.6540 174.3639 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 2 L 8.04 4.61 0.00 1.58 1.67 0.93 0.37 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 3 T 8.76 4.79 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 1.25 0.00 0.00 4 I 9.25 4.63 1.98 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 1.21 1.13 1.25 0.00 0.00 5 G 9.34 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.37 4.67 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 0.86 0.00 0.00 0.95 0.00 0.00 7 L 8.37 3.94 0.00 1.49 1.39 0.21 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.43 4.04 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 0.00 0.00 0.00 9 L 7.86 4.07 0.00 1.38 1.45 0.55 0.93 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 10 Q 7.38 4.28 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 11 G 8.35 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 0.00 0.00 0.00 12 A 8.24 4.68 1.20 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 0.00 0.00 13 V 8.00 4.35 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 0.83 0.00 0.00 0.93 0.00 0.00 14 R 8.30 3.87 0.00 1.86 1.96 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 15 E 8.13 4.03 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 16 H 8.13 4.29 0.00 3.34 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.77 3.76 2.06 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 1.44 0.75 0.97 0.00 0.00 18 H 8.14 4.18 0.00 3.19 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.94 3.78 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.84 3.70 2.06 0.00 0.00 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 1.66 0.85 1.00 0.00 0.00 21 E 8.44 4.45 0.00 2.19 2.00 0.00 0.00 0.00 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 2.31 0.00 22 A 8.05 3.77 1.07 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 0.00 0.00 23 C 7.55 4.56 0.00 3.06 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 24 G 8.67 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 0.00 0.00 0.00 0.00 25 A 7.07 4.46 1.21 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 0.00 0.00 26 A 8.53 4.31 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 27 G 8.58 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 0.00 0.00 0.00 28 L 8.76 4.77 0.00 1.74 1.52 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.58 4.34 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 0.80 0.00 0.00 0.94 0.00 0.00 30 V 8.45 3.77 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 1.09 0.00 0.00 0.94 0.00 0.00 31 K 8.98 4.68 0.00 1.84 1.93 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.66 7.81 32 R 7.75 4.73 0.00 1.82 1.89 0.00 3.14 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 33 P 0.00 3.77 0.00 1.84 1.69 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.44 0.00 34 E 8.12 3.99 0.00 2.15 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 0.00 2.32 2.32 0.00 35 Q 8.48 4.33 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 36 L 7.80 4.11 0.00 1.82 1.93 0.91 0.64 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 37 N 8.11 4.69 0.00 2.77 2.92 0.00 0.00 6.98 7.78 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 38 E 8.22 4.39 0.00 2.08 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 2.35 2.42 0.00 39 V 7.54 4.74 2.47 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 0.85 0.00 0.00 1.21 0.00 0.00 40 D 9.01 4.66 0.00 2.55 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 59 Y 7.80 4.49 0.00 3.34 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.31 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 7.45 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 61 F 8.68 4.66 0.00 3.25 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 *63 E 8.24 4.31 0.00 2.04 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 0.00 2.32 2.30 0.00 64 P 0.00 4.49 0.00 2.27 2.09 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 65 L 8.39 4.08 0.00 1.77 1.79 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.95 4.16 0.00 2.10 2.04 0.00 3.16 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 67 E 8.29 4.05 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.85 0.00 2.58 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 0.00 120 L 10.09 4.85 0.00 1.68 1.55 0.47 0.58 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 0.00 121 T 8.57 4.71 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 1.24 0.00 0.00 122 I 8.04 4.50 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.95 0.00 0.00 123 K 9.10 4.08 0.00 1.74 1.77 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.41 7.81 124 G 8.86 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 0.00 125 L 7.97 4.66 0.00 1.71 1.63 0.87 1.00 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 0.00 126 D 8.16 4.50 0.00 2.63 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 0.00 127 E 7.76 4.16 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 128 P 0.00 4.66 0.00 1.98 2.02 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 129 F 9.39 4.77 0.00 3.07 2.81 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 0.00 130 T 7.51 4.32 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 1.06 0.00 0.00 131 G 8.58 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.33 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 0.93 0.00 0.00 0.92 0.00 0.00 133 F 8.71 4.65 0.00 1.72 2.35 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 0.00 134 I 7.93 4.76 1.91 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 1.32 0.57 0.91 0.00 0.00 135 R 9.27 3.87 0.00 1.93 2.05 0.00 3.21 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 136 A 8.17 4.21 1.47 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 0.00 137 P 0.00 4.77 0.00 1.97 2.01 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 138 H 9.20 4.96 0.00 3.15 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.49 4.52 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.95 0.00 0.00 140 L 8.85 4.33 0.00 1.55 1.74 0.93 0.79 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 0.00 141 E 7.89 4.84 0.00 2.02 1.74 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 2.30 2.32 0.00 142 A 8.52 5.02 1.21 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 0.00 0.00 143 G 8.93 3.97 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 0.00 0.00 0.00 144 E 8.95 4.30 0.00 2.10 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 2.29 2.31 0.00 145 N 8.04 4.79 0.00 2.88 2.98 0.00 0.00 5.97 7.68 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 0.00 146 V 7.45 4.55 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 0.70 0.00 0.00 0.96 0.00 0.00 147 E 9.37 4.40 0.00 2.03 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 2.28 2.27 0.00 148 V 8.44 4.21 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 0.88 0.00 0.00 0.97 0.00 0.00 149 L 9.06 4.48 0.00 1.82 1.71 0.90 0.73 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 0.00 150 S 7.64 5.03 0.00 3.99 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 0.00 151 E 8.52 5.36 0.00 2.08 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 2.36 2.44 0.00 152 H 9.21 5.09 0.00 3.24 3.14 0.00 5.98 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 0.00 153 N 9.79 4.17 0.00 2.75 2.76 0.00 0.00 7.20 7.65 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 0.00 154 G 8.41 4.48 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 0.00 0.00 0.00 155 R 7.91 4.59 0.00 2.08 1.94 0.00 3.26 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 156 I 8.40 4.35 1.94 0.00 0.00 0.90 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 0.98 0.00 0.00 157 V 8.83 4.68 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 1.05 0.00 0.00 1.26 0.00 0.00 158 A 7.97 5.08 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 0.00 159 A 9.48 5.21 1.22 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 0.00 0.00 160 K 9.27 4.97 0.00 1.75 1.62 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.37 7.81 161 Q 9.67 4.47 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.60 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 162 G 9.08 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 0.00 0.00 0.00 163 Q 8.73 4.03 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.41 0.00 164 F 8.13 5.21 0.00 3.11 3.01 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 0.00 165 L 8.66 5.20 0.00 1.70 1.30 0.83 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 166 G 9.52 4.72 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 0.00 167 C 8.47 5.23 0.00 2.04 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 0.00 168 S 8.90 4.51 0.00 4.07 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 0.00 169 F 6.98 4.17 0.00 2.54 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 0.00 170 H 8.76 4.58 0.00 3.22 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.89 0.00 2.41 2.46 0.00 3.67 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 2.09 2.05 0.00 172 E 8.15 4.19 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 2.23 1.87 0.00 173 L 7.37 4.22 0.00 1.70 1.68 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 174 T 7.60 4.63 4.13 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 1.32 0.00 0.00 175 E 8.50 4.29 0.00 1.95 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 2.25 2.26 0.00 176 D 7.48 4.55 0.00 2.54 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 8.59 5.01 0.00 3.33 3.34 0.00 5.88 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.50 4.00 0.00 2.05 2.02 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 179 V 7.55 3.55 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 0.99 0.00 0.00 0.07 0.00 0.00 180 T 8.05 4.03 4.52 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 1.36 0.00 0.00 181 Q 8.23 3.97 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 182 L 7.51 3.94 0.00 1.76 1.63 0.84 0.83 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 0.00 183 F 7.90 4.32 0.00 2.41 3.18 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 0.00 184 V 8.14 3.60 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 0.94 0.00 0.00 1.01 0.00 0.00 185 E 8.38 4.12 0.00 2.15 1.90 0.00 0.00 0.00 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 2.47 0.00 *187 V 7.85 3.89 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 0.95 0.00 0.00 0.18 0.00 0.00 188 E 8.04 3.97 0.00 2.16 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 2.52 0.00 189 E 8.01 3.89 0.00 2.09 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 2.30 2.29 0.00 190 Y 7.76 4.12 0.00 3.04 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 0.00 191 K 8.13 3.67 0.00 1.93 1.76 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.54 1.60 7.81 192 Q 7.70 4.37 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 193 K 7.43 4.27 0.00 1.53 1.55 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.29 7.81 194 A 7.29 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 8.25 4.11 0.00 1.70 1.67 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.97 3.95 2.04 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 0.78 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.