NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4515 8.3349 115.2679 58.3400 63.7304 173.0947 3 F 4.6477 9.9440 125.7888 58.9015 39.7827 176.8528 4 I 3.9099 8.1912 120.9726 64.2197 38.3164 178.1495 5 K 3.4212 7.5330 123.6715 59.2547 31.3625 181.7282 6 P 4.0920 0.0000 0.0000 64.6306 31.5195 177.4606 7 I 4.3865 7.2702 107.7553 60.3307 38.0271 176.3170 8 Y 4.2639 8.9288 126.7016 62.0416 38.5419 178.5735 9 Q 3.6239 8.0726 120.7339 61.0882 28.0000 180.0125 10 D 4.4936 8.1412 120.8122 56.6729 40.7578 178.6929 11 I 3.7446 7.7987 121.6660 65.7153 37.4088 178.1488 12 N 4.2874 8.2518 119.9850 58.0480 37.0883 178.8641 13 S 4.4380 7.7653 114.4971 61.1822 62.6081 176.2804 14 I 3.9399 8.2951 124.7131 63.9702 37.1014 177.9458 15 L 4.5980 7.9259 122.2639 57.3189 41.9675 182.1284 16 I 4.1760 8.2282 117.3760 63.2689 38.4104 175.6120 17 G 4.2829 7.8166 107.3483 45.0898 0.0000 171.9037 18 Q 4.4160 8.0870 123.2305 55.2979 31.1032 173.9872 19 K 4.6045 7.4990 114.0633 55.7553 35.6300 175.3499 20 V 4.2047 7.5674 116.1485 61.8269 34.7624 173.2472 21 K 4.6329 8.3234 129.1218 54.7618 32.7618 176.8470 22 R 3.9545 8.4030 115.3491 58.2411 30.0797 171.6121 *32 A 4.3053 7.9575 115.6081 54.7721 20.1630 174.4797 33 A 4.8850 9.1340 123.3645 50.7772 15.9872 178.4162 34 G 4.3696 7.5295 110.1684 44.1318 0.0000 172.7828 35 E 4.5165 7.8495 120.6404 52.8636 31.7712 174.4781 36 P 4.3516 0.0000 0.0000 65.3785 30.8781 177.7754 37 F 4.0280 8.6957 117.5369 60.6588 38.6624 177.0134 38 E 4.1315 8.5140 121.3194 59.9368 29.3900 179.6203 39 K 4.1474 8.1942 123.5258 59.6790 31.4019 180.6044 40 L 4.1817 7.7539 117.7967 57.4895 41.4767 179.0470 41 V 3.9135 7.9613 118.0493 64.8115 31.6239 177.2341 42 Y 4.3772 8.0688 119.2005 60.7791 38.6011 177.9743 43 K 3.7706 7.8290 122.4143 59.8717 32.1354 179.1137 *44 F 3.6247 7.5134 119.7803 61.6059 38.0587 178.5759 45 L 4.6985 7.9904 116.5006 55.1591 42.1595 178.9312 46 K 3.6762 7.7176 119.9245 60.1991 32.2781 177.3681 47 E 3.9016 8.9021 121.7554 58.8930 30.0715 178.4353 48 N 4.3735 8.1623 118.8610 55.2358 38.6391 178.0771 49 L 4.6275 7.6369 121.4170 53.8252 41.3562 176.9066 *50 S 4.3679 7.3140 117.0993 58.9152 63.7132 176.0725 51 D 4.8938 8.5413 120.4524 54.7449 39.6903 175.6451 52 L 4.8133 7.2654 116.9208 56.0152 43.3562 177.7109 53 T 4.4223 7.1346 114.4161 64.2616 69.1200 173.9613 54 F 5.1009 9.0989 121.9042 56.5655 44.3284 173.3974 55 K 4.4829 8.5533 121.5734 55.5951 33.5228 177.2836 56 Q 3.9725 9.2052 125.8316 59.9697 28.8887 178.9065 57 Y 4.1362 8.3010 117.8251 60.1046 37.8072 177.9286 58 E 3.2741 7.1048 120.4140 59.0477 29.8421 177.9747 59 Y 3.3569 8.3893 119.8349 60.3102 38.7010 178.1169 60 L 3.3569 7.8219 119.9448 57.5993 41.7156 179.1719 61 N 4.3353 8.1484 116.3887 56.3161 38.6421 176.8783 62 D 4.2515 7.9295 119.4170 57.2801 41.0348 178.1564 63 L 3.5784 6.8912 119.4943 57.9944 42.2665 178.6175 64 F 4.3611 7.3453 117.7005 60.3473 38.4556 177.5370 65 M 4.3801 8.2367 117.7221 58.5215 32.1553 177.8840 66 K 4.2609 7.7662 116.1926 57.4757 33.6425 176.5814 67 N 5.1066 8.0823 116.8843 51.1244 39.1173 173.8729 68 P 4.4427 0.0000 0.0000 65.5100 31.8787 177.8838 69 A 4.1103 7.9078 119.9389 53.3297 18.7681 176.9201 70 I 4.1622 7.8031 118.0503 60.0905 37.4047 175.3486 71 I 4.4554 8.1281 125.6018 60.0912 40.7886 176.1346 72 G 4.1010 8.4969 107.6177 46.4036 0.0000 174.4733 73 H 3.8866 9.2890 117.8011 58.3258 27.9188 177.7764 74 E 3.7301 7.4131 120.6878 59.1807 29.1217 179.2221 75 A 4.0262 7.6921 118.4936 55.2112 18.7840 179.4347 76 R 3.9266 7.7978 116.1441 59.3359 30.1615 178.7338 77 Y 4.8400 8.5389 117.2230 61.2988 37.7672 178.8181 78 K 4.2289 8.1157 118.4360 59.0604 31.9158 179.0218 79 L 4.0545 7.7806 118.4211 57.0829 41.4729 178.8400 80 F 4.2665 8.6548 120.2971 58.5023 38.7110 176.1576 81 N 4.4569 8.2146 113.9864 52.4140 35.5640 178.8747 82 S 4.5106 7.5342 109.2016 56.7871 65.9369 173.1319 83 P 4.1596 0.0000 0.0000 66.0442 31.0912 178.8151 84 T 3.8040 7.6806 113.4812 66.5545 68.3430 176.5988 85 L 3.4416 7.6302 122.1709 57.7259 41.9094 178.7667 86 L 2.6448 7.8924 120.5975 57.6581 41.7649 178.6536 87 F 3.9126 7.7308 119.2701 61.3205 39.3595 176.7924 88 L 3.5965 7.9626 117.7230 56.9231 41.4422 178.5196 89 L 4.3081 7.7874 117.5227 54.4770 43.2853 177.5611 90 S 4.1749 6.9368 113.0521 57.9941 63.4476 174.2922 91 R 4.1376 8.1941 121.7054 54.9515 31.2420 176.6037 92 G 3.9861 8.2593 106.0031 44.4438 0.0000 174.6091 93 K 3.8890 8.6014 118.2165 59.3802 32.0622 179.3297 94 A 4.0132 8.0343 120.1904 55.3130 18.2347 179.3338 95 A 4.1936 8.1057 118.6562 55.7501 18.3074 179.8885 96 T 4.3754 8.0964 113.3419 66.8254 68.6578 176.2770 97 E 4.0810 8.7164 120.9329 59.4734 29.8211 178.3742 98 N 4.5172 8.6855 114.6173 53.8827 39.0841 175.5602 99 W 4.1758 7.3770 131.1806 57.7551 31.5446 176.4881 100 S 4.3225 6.8469 119.8650 57.1661 62.6446 175.1680 101 I 2.8660 5.4200 127.3717 63.4798 35.9417 175.2579 102 E 4.3712 7.4617 114.3876 56.0230 30.0583 176.1286 103 N 4.7254 6.7073 117.6340 51.5541 38.7277 173.4919 104 L 4.0406 7.3914 120.8154 53.3931 43.1762 177.1559 105 F 4.8962 9.6058 119.8101 57.8058 39.5052 174.9953 106 E 4.7406 8.5510 121.3309 53.8702 32.7046 175.9058 107 E 3.2072 7.5281 119.4125 56.8529 29.8423 176.8529 108 K 4.6290 8.1593 123.1230 54.4305 35.2426 176.0792 109 Q 4.0454 8.7233 124.5452 59.5116 28.8686 177.6946 110 N 4.6796 7.9202 111.4162 52.0499 37.8996 176.6685 111 D 4.3868 7.8861 118.4609 55.9013 41.4430 176.2455 112 T 3.8533 8.5884 121.2148 66.1403 68.5489 173.7996 113 A 5.5895 7.7805 121.4947 49.2866 21.0606 176.0911 114 D 4.6139 9.0618 122.7005 57.1112 41.7563 177.1058 115 I 4.7334 8.3024 117.8018 59.4388 42.2782 174.1465 116 L 5.1832 9.4997 127.6601 53.2486 45.2005 174.8751 117 L 5.2685 8.5789 126.3256 53.2207 44.0662 175.5305 118 V 4.7157 8.4345 126.7019 61.6863 34.8758 175.7575 119 K 4.1698 8.9653 122.9353 54.9438 35.5407 174.8091 120 N 4.4327 9.7769 126.6362 54.4118 35.5346 176.1937 121 Q 3.9005 8.3193 113.4679 54.9412 26.8228 174.7272 122 F 5.3334 7.8327 119.9227 57.7694 41.7913 174.0381 123 Y 5.0806 8.1284 122.4788 56.2013 41.7168 174.5226 124 E 4.8352 8.8757 122.9226 54.0148 31.7940 173.8737 125 L 4.3346 9.0292 126.3953 54.6767 42.5100 175.3562 126 L 4.9479 8.7884 127.2015 53.3216 44.2309 175.0417 127 D 5.3856 8.6983 125.4055 52.5755 44.5612 175.3645 128 V 5.4616 8.3435 119.6734 60.3198 33.8657 174.9761 129 K 4.9097 8.8085 126.8385 55.0731 35.4373 175.3130 130 T 5.2282 8.5251 111.5538 60.0329 71.8386 173.1225 131 R 4.4522 8.1257 121.7697 54.7948 33.3243 173.7651 *138 Q 4.0166 8.6942 118.2784 56.0522 28.7569 175.1392 139 S 4.0759 8.3127 119.9713 57.7761 63.5640 172.5590 140 P 4.5080 0.0000 0.0000 62.2586 32.9990 175.0981 141 N 4.4763 8.5494 118.8001 53.8240 38.4482 174.2723 142 I 4.0183 8.2989 123.8740 62.2144 40.2112 176.0133 143 I 4.1553 7.0923 118.2658 60.0899 41.7345 174.1330 144 S 4.3093 8.6625 121.3226 58.5001 62.8762 174.9095 145 A 4.2473 8.7156 131.2012 54.8005 18.0440 179.1173 146 Y 4.0204 8.0401 117.9348 60.7174 38.9565 177.6244 147 K 3.9899 7.9202 120.7242 59.1885 32.2434 178.6195 148 L 3.8991 8.0795 120.7125 57.7138 41.8258 178.8414 149 A 4.1079 7.7262 120.9944 55.2631 18.2693 179.6551 150 Q 3.6666 8.1771 116.9886 59.1147 28.6228 179.2350 151 T 3.8489 8.0471 117.0658 66.9046 68.5684 176.5770 152 C 4.2759 8.3509 118.4560 62.7838 28.0716 176.0461 153 A 4.0665 8.3155 122.6577 55.0419 17.8642 179.9072 154 K 3.8456 7.9582 117.1437 59.5709 31.9932 179.3830 155 M 3.8799 8.0418 118.9876 58.5391 31.7258 178.9034 156 I 3.9708 7.8483 119.6264 64.6617 37.1064 178.2570 157 D 4.4015 8.2782 118.8164 56.7729 40.7448 177.6901 158 N 4.6628 8.0055 113.4884 51.5224 39.8760 174.7555 159 K 3.2852 7.2785 118.7774 57.8161 29.9588 177.0429 160 E 4.2322 7.3675 118.2851 54.6839 29.5384 176.2375 161 F 4.8788 8.1012 119.1929 56.9845 39.8043 175.7853 162 D 4.9699 7.7990 119.4508 53.1281 39.9711 175.9427 163 L 4.7900 8.1386 124.0072 57.8986 43.9020 175.4370 164 F 5.3839 7.1787 110.4917 56.5907 40.9110 173.2190 165 D 5.0458 8.4802 117.2949 52.8498 45.7836 174.8451 166 I 4.5052 7.7329 122.3072 59.9655 39.2804 174.4870 167 N 4.6360 8.4361 124.5618 51.3303 42.4863 173.3071 168 Y 5.1997 7.9617 115.7132 56.5360 43.1227 174.5183 169 L 5.1946 9.1426 124.3258 53.5520 44.8892 174.8546 170 E 5.2484 9.7562 127.8804 54.9700 32.6462 175.0053 171 V 4.8293 8.2785 116.8658 60.2747 36.4838 173.7755 172 D 5.2216 8.9154 125.2440 52.6231 43.3121 175.4366 173 W 5.8452 8.0691 119.7585 55.7705 32.0967 174.6841 174 E 4.7552 9.5473 118.2024 54.4679 33.2514 175.4286 175 L 4.7681 8.9861 126.8373 53.7773 42.4271 177.3585 176 N 5.0541 8.5136 128.5645 52.5217 39.8543 174.9301 177 G 4.0161 8.2473 111.8943 44.5691 0.0000 173.1964 178 E 4.5720 9.0856 121.3786 55.6176 30.3931 172.7183 179 D 5.2326 7.9518 117.2171 52.1764 45.5289 174.4024 180 L 5.3324 8.8541 120.6975 53.2160 45.2680 176.4396 181 V 4.5938 8.8163 124.3947 59.7953 33.7601 175.1229 182 C 4.9691 9.1023 124.8872 59.9267 31.7688 172.7729 183 V 4.3147 8.6474 124.5100 64.4403 33.8128 174.6581 184 S 4.7433 7.4331 112.6630 58.1949 65.9300 173.4648 185 T 5.4248 8.2724 110.0561 59.5324 72.4029 173.2639 186 S 4.8157 8.4159 114.4995 57.6470 67.4234 173.8953 187 F 5.2519 8.8175 125.9559 56.3698 41.8763 173.5620 188 A 4.4788 7.9300 125.5663 50.2795 23.6130 174.6456 189 E 4.3594 8.3659 117.5079 53.3450 32.4550 176.6928 190 L 3.8348 8.2187 127.9053 58.4475 42.0524 179.0855 191 F 3.1069 6.8953 111.9272 57.6141 38.4167 175.9307 192 K 4.7045 8.6508 120.7627 56.0984 33.1790 175.9026 193 S 5.2271 7.9281 114.3079 56.1450 64.7848 173.7868 194 E 4.1123 8.9494 123.9712 55.9081 30.1230 175.2691 195 P 3.9134 0.0000 0.0000 65.6831 31.3246 178.5306 196 S 3.5907 7.7735 109.7616 60.1583 62.8739 174.8522 197 E 4.1456 7.8941 120.3032 58.1533 29.6282 177.0571 198 L 4.1242 7.8244 119.9316 55.0349 42.2393 175.7274 199 Y 4.6260 8.8340 125.4922 56.9373 40.3654 173.7525 200 I 4.1131 7.6613 127.1307 59.4861 39.2215 175.3308 201 N 4.2808 8.3078 127.8556 51.6095 37.5840 174.4494 202 W 4.2458 8.5237 125.2539 59.3651 29.7020 178.7108 203 A 4.0036 8.2980 119.4479 55.1245 18.6675 178.0637 204 A 4.2488 8.5661 120.4839 52.5868 17.3954 177.1707 205 A 3.8419 8.4474 118.8868 53.8030 17.0254 177.2993 206 M 2.9064 7.8992 114.4837 57.0971 30.8674 176.9785 207 Q 4.5406 7.9224 117.7021 55.5570 30.4877 175.3814 208 I 4.3999 8.3067 124.5056 61.0777 38.5038 175.0378 209 Q 5.1251 8.8080 124.6585 52.5558 32.1570 175.0353 210 F 4.8074 7.6275 116.7221 57.0528 39.8604 173.2194 211 H 4.5133 8.3357 118.7512 55.3073 29.5711 176.6883 212 V 3.8128 8.8142 123.0899 66.1934 31.4083 178.2351 213 R 4.0985 8.3229 115.1538 59.1859 29.3222 177.8885 214 D 4.5778 7.8677 116.4288 53.7206 41.6652 176.5220 215 L 3.6550 6.8119 121.1634 55.0530 42.5957 175.8560 216 D 4.7991 7.9987 122.6013 53.8778 42.3359 176.0634 217 Q 4.6490 8.2993 119.9869 55.9285 30.2463 176.0716 218 G 3.9181 9.7123 108.1028 45.5340 0.0000 174.9929 219 F 4.3144 8.4324 122.7798 59.1325 39.7002 174.5319 220 N 4.7569 7.2790 119.7952 52.3211 40.8923 174.7990 221 G 3.5214 5.6389 107.0695 44.3821 0.0000 173.3145 222 T 4.1433 9.3936 114.5889 61.3813 69.2111 174.9082 223 R 3.9373 8.3870 122.9613 59.5060 30.1236 177.9263 224 E 3.4836 7.6840 118.5317 59.1957 29.4482 178.4725 225 E 4.1160 7.8704 117.7317 58.6900 29.4979 178.9770 226 W 3.7016 8.3715 128.7334 59.9430 30.6696 178.0416 227 A 4.3426 8.0213 120.5679 55.0682 18.0028 179.6710 228 K 3.9691 8.1150 117.0399 59.6784 32.1970 179.5156 229 S 4.0775 8.1316 113.4361 61.5796 61.7266 175.6549 230 Y 3.7137 7.8587 122.1741 60.3478 38.4422 177.7914 231 L 4.0019 7.9535 120.0584 57.6012 41.7494 179.2765 232 K 3.8856 8.4752 119.9374 59.8599 32.1130 178.3013 233 H 4.1393 8.0917 118.4236 59.0169 29.7409 177.0114 234 F 3.9028 8.0984 122.8374 61.2304 39.2353 177.1363 235 V 3.4598 8.2154 118.2239 66.3130 31.2169 178.0113 236 T 3.7813 7.7761 115.2419 66.7478 68.2904 176.6008 237 Q 3.9282 7.9670 119.5491 58.8725 28.7751 178.6890 238 A 2.9009 8.0895 122.0665 54.7387 18.3439 179.1466 239 E 3.6992 8.2362 118.3499 59.5472 29.6596 179.1887 240 Q 3.9356 8.1824 117.6611 58.8675 28.5692 178.3556 241 R 3.4931 7.5893 120.9052 58.9703 29.9313 178.3185 242 A 3.8099 7.7110 120.6107 55.2476 18.3148 179.7275 243 I 3.6082 7.5479 118.3413 64.4402 37.0893 178.6471 244 S 3.9281 8.1046 114.3520 61.4371 62.1087 176.1793 245 M 3.7656 7.9869 121.6222 58.1537 31.6829 178.6940 246 I 3.6851 7.6472 119.8892 64.7187 37.1561 178.3281 247 D 4.3232 8.0425 118.2226 56.5530 40.5998 177.9854 248 K 4.1105 7.4963 118.6889 57.6442 32.9791 177.5253 249 F 5.3657 8.1183 115.5092 58.4491 39.9891 176.0864 250 V 4.3672 7.7998 115.6612 63.9698 33.4016 176.8851 251 K 3.8626 8.4052 117.4868 59.4731 32.0739 177.6445 252 P 4.2219 0.0000 0.0000 64.4046 31.5979 177.5769 253 F 5.1162 7.9692 115.2346 57.6210 39.3846 177.7609 254 K 4.0047 7.7140 118.8684 59.3282 31.7552 178.8824 255 K 3.8020 7.9817 116.0404 59.2085 32.3537 176.8684 256 Y 4.5363 7.7842 116.4294 58.6612 38.4056 176.0499 257 I 4.4907 7.9875 110.7979 60.2596 38.7706 175.5732 258 L 4.2786 7.8809 126.1323 55.1121 41.6844 176.1478 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 S 8.33 4.45 0.00 3.99 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 3 F 9.94 4.65 0.00 3.25 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 4 I 8.19 3.91 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 1.01 0.00 0.00 5 K 7.53 3.42 0.00 1.85 1.80 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.35 7.81 6 P 0.00 4.09 0.00 2.05 2.21 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 7 I 7.27 4.39 1.87 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 1.48 1.06 0.92 0.00 0.00 8 Y 8.93 4.26 0.00 2.55 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 9 Q 8.07 3.62 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 10 D 8.14 4.49 0.00 2.82 2.64 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 0.00 0.00 0.00 11 I 7.80 3.74 2.08 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 1.57 0.75 1.02 0.00 0.00 12 N 8.25 4.29 0.00 2.70 2.82 0.00 0.00 6.73 7.18 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 13 S 7.77 4.44 0.00 3.84 3.87 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 0.00 0.00 0.00 14 I 8.30 3.94 2.01 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 1.37 0.83 0.92 0.00 0.00 15 L 7.93 4.60 0.00 1.64 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.23 4.18 2.05 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 1.35 0.97 0.00 0.00 17 G 7.82 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 0.00 0.00 0.00 0.00 18 Q 8.09 4.42 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 19 K 7.50 4.60 0.00 1.81 1.70 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 1.36 7.81 20 V 7.57 4.20 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 0.04 0.00 0.00 0.79 0.00 0.00 21 K 8.32 4.63 0.00 1.78 1.58 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.00 7.81 22 R 8.40 3.95 0.00 1.82 1.80 0.00 3.26 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 *32 A 7.96 4.31 1.29 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 0.00 0.00 33 A 9.13 4.89 1.29 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 0.00 0.00 34 G 7.53 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 0.00 0.00 0.00 0.00 35 E 7.85 4.52 0.00 2.08 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 2.16 2.26 0.00 36 P 0.00 4.35 0.00 2.12 2.26 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 37 F 8.70 4.03 0.00 3.16 3.29 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 38 E 8.51 4.13 0.00 2.16 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 2.37 2.40 0.00 39 K 8.19 4.15 0.00 1.82 1.82 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.36 7.81 40 L 7.75 4.18 0.00 1.89 1.76 0.70 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.96 3.91 2.32 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 1.13 0.00 0.00 1.07 0.00 0.00 42 Y 8.07 4.38 0.00 3.03 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 43 K 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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 52 L 7.27 4.81 0.00 1.48 1.45 0.80 0.06 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 53 T 7.13 4.42 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 1.44 0.00 0.00 54 F 9.10 5.10 0.00 3.23 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 55 K 8.55 4.48 0.00 1.75 1.90 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.42 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.79 1.58 7.81 56 Q 9.21 3.97 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 57 Y 8.30 4.14 0.00 3.32 3.19 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 0.00 58 E 7.10 3.27 0.00 1.32 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 0.00 2.57 2.29 0.00 59 Y 8.39 3.36 0.00 2.66 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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68 P 0.00 4.44 0.00 2.22 2.29 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 69 A 7.91 4.11 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 70 I 7.80 4.16 1.88 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 1.37 0.85 0.82 0.00 0.00 71 I 8.13 4.46 1.84 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 1.34 0.49 0.89 0.00 0.00 72 G 8.50 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 73 H 9.29 3.89 0.00 2.67 3.48 0.00 5.29 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.41 3.73 0.00 1.86 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 2.21 1.81 0.00 75 A 7.69 4.03 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 76 R 7.80 3.93 0.00 1.61 1.24 0.00 2.90 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.45 0.00 77 Y 8.54 4.84 0.00 3.30 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 78 K 8.12 4.23 0.00 2.01 1.92 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.77 7.81 79 L 7.78 4.05 0.00 1.67 1.63 0.91 0.90 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 80 F 8.65 4.27 0.00 3.27 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 81 N 8.21 4.46 0.00 2.85 2.73 0.00 0.00 6.80 8.39 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 82 S 7.53 4.51 0.00 3.83 3.70 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 83 P 0.00 4.16 0.00 2.13 2.03 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 84 T 7.68 3.80 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 1.27 0.00 0.00 85 L 7.63 3.44 0.00 1.56 1.66 -0.05 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.89 2.64 0.00 1.41 1.57 -0.42 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.73 3.91 0.00 2.87 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 88 L 7.96 3.60 0.00 1.36 1.28 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.79 4.31 0.00 1.57 1.69 0.65 0.75 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 90 S 6.94 4.17 0.00 3.69 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 91 R 8.19 4.14 0.00 1.77 1.86 0.00 3.19 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 92 G 8.26 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 93 K 8.60 3.89 0.00 1.76 1.59 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.64 7.81 94 A 8.03 4.01 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.11 4.19 1.56 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 96 T 8.10 4.38 4.49 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 1.33 0.00 0.00 97 E 8.72 4.08 0.00 1.95 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 2.33 2.41 0.00 98 N 8.69 4.52 0.00 2.80 2.89 0.00 0.00 7.03 7.56 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 99 W 7.38 4.18 0.00 2.98 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 0.00 100 S 6.85 4.32 0.00 3.73 3.68 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 0.00 101 I 5.42 2.87 1.65 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 1.54 0.37 0.84 0.00 0.00 102 E 7.46 4.37 0.00 1.78 1.84 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 2.13 2.13 0.00 103 N 6.71 4.73 0.00 2.61 2.30 0.00 0.00 7.21 6.54 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 0.00 104 L 7.39 4.04 0.00 1.73 1.89 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 F 9.61 4.90 0.00 3.44 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 0.00 106 E 8.55 4.74 0.00 1.90 1.71 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 2.26 2.37 0.00 107 E 7.53 3.21 0.00 1.66 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 108 K 8.16 4.63 0.00 1.65 2.03 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.32 7.81 109 Q 8.72 4.05 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 110 N 7.92 4.68 0.00 2.74 2.70 0.00 0.00 6.66 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 0.00 111 D 7.89 4.39 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 3.85 4.20 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 1.05 0.00 0.00 113 A 7.78 5.59 1.19 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 0.00 0.00 0.00 114 D 9.06 4.61 0.00 2.74 2.90 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 0.00 0.00 0.00 115 I 8.30 4.73 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.80 1.03 0.00 0.00 116 L 9.50 5.18 0.00 1.68 1.68 0.88 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.58 5.27 0.00 1.81 1.78 0.99 0.69 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 0.00 118 V 8.43 4.72 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 0.41 0.00 0.00 0.58 0.00 0.00 119 K 8.97 4.17 0.00 1.68 1.61 0.00 2.01 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.19 1.19 7.81 120 N 9.78 4.43 0.00 2.97 2.99 0.00 0.00 7.14 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 0.00 121 Q 8.32 3.90 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 122 F 7.83 5.33 0.00 3.18 3.27 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 0.00 123 Y 8.13 5.08 0.00 2.74 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 0.00 124 E 8.88 4.84 0.00 2.08 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 2.24 2.26 0.00 125 L 9.03 4.33 0.00 1.72 1.54 0.76 0.33 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 0.00 126 L 8.79 4.95 0.00 1.81 1.71 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.70 5.39 0.00 2.98 2.64 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 0.00 0.00 0.00 128 V 8.34 5.46 2.17 0.00 0.00 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 1.03 0.00 0.00 129 K 8.81 4.91 0.00 1.71 1.65 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.46 1.24 7.81 130 T 8.53 5.23 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 1.25 0.00 0.00 131 R 8.13 4.45 0.00 1.71 2.04 0.00 2.95 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 *138 Q 8.69 4.02 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 139 S 8.31 4.08 0.00 3.76 3.74 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 0.00 140 P 0.00 4.51 0.00 2.00 2.10 0.00 3.39 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 141 N 8.55 4.48 0.00 2.55 2.91 0.00 0.00 6.72 7.45 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 0.00 142 I 8.30 4.02 1.06 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.48 0.02 0.00 0.00 143 I 7.09 4.16 1.84 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 1.19 0.29 0.89 0.00 0.00 144 S 8.66 4.31 0.00 3.86 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 0.00 145 A 8.72 4.25 1.48 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 0.00 146 Y 8.04 4.02 0.00 3.19 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 0.00 147 K 7.92 3.99 0.00 1.78 1.88 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.44 1.47 7.81 148 L 8.08 3.90 0.00 1.78 1.46 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.73 4.11 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 0.00 150 Q 8.18 3.67 0.00 1.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 1.93 1.65 0.00 151 T 8.05 3.85 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 1.44 0.00 0.00 152 C 8.35 4.28 0.00 3.27 3.26 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 0.00 153 A 8.32 4.07 1.29 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 0.00 0.00 154 K 7.96 3.85 0.00 1.82 1.74 0.00 1.05 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.27 7.81 155 M 8.04 3.88 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.73 0.00 156 I 7.85 3.97 1.96 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 1.77 1.05 1.02 0.00 0.00 157 D 8.28 4.40 0.00 2.62 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 0.00 158 N 8.01 4.66 0.00 2.77 2.76 0.00 0.00 7.13 7.14 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 0.00 159 K 7.28 3.29 0.00 2.06 1.85 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.26 7.81 160 E 7.37 4.23 0.00 1.73 1.80 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 2.15 2.13 0.00 161 F 8.10 4.88 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 0.00 162 D 7.80 4.97 0.00 2.77 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 0.00 163 L 8.14 4.79 0.00 1.91 1.86 1.20 0.88 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 0.00 164 F 7.18 5.38 0.00 2.95 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 0.00 165 D 8.48 5.05 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.73 4.51 1.20 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.63 0.00 0.00 167 N 8.44 4.64 0.00 2.47 2.44 0.00 0.00 6.41 8.15 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 0.00 168 Y 7.96 5.20 0.00 2.85 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 0.00 169 L 9.14 5.19 0.00 1.86 1.64 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 170 E 9.76 5.25 0.00 2.12 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 2.26 2.31 0.00 171 V 8.28 4.83 2.18 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 1.03 0.00 0.00 0.99 0.00 0.00 172 D 8.92 5.22 0.00 2.59 2.43 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 0.00 173 W 8.07 5.85 0.00 3.48 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 0.00 174 E 9.55 4.76 0.00 1.58 1.80 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 2.12 2.09 0.00 175 L 8.99 4.77 0.00 1.99 1.79 1.16 1.09 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 0.00 176 N 8.51 5.05 0.00 2.77 2.81 0.00 0.00 7.34 8.41 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 0.00 177 G 8.25 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 0.00 0.00 0.00 0.00 178 E 9.09 4.57 0.00 1.97 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 2.21 2.34 0.00 179 D 7.95 5.23 0.00 2.82 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 0.00 180 L 8.85 5.33 0.00 1.55 1.54 0.38 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 181 V 8.82 4.59 2.18 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 1.05 0.00 0.00 1.03 0.00 0.00 182 C 9.10 4.97 0.00 3.50 3.24 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 0.00 183 V 8.65 4.31 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 0.82 0.00 0.00 0.98 0.00 0.00 184 S 7.43 4.74 0.00 3.92 3.70 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 0.00 185 T 8.27 5.42 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 186 S 8.42 4.82 0.00 3.94 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 0.00 187 F 8.82 5.25 0.00 1.76 2.14 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 0.00 188 A 7.93 4.48 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.37 4.36 0.00 1.80 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.60 0.00 190 L 8.22 3.83 0.00 1.72 0.83 1.16 0.69 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 0.00 191 F 6.90 3.11 0.00 2.69 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 0.00 192 K 8.65 4.70 0.00 2.10 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.34 7.81 193 S 7.93 5.23 0.00 4.00 4.05 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 0.00 194 E 8.95 4.11 0.00 2.20 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 0.00 2.41 2.46 0.00 195 P 0.00 3.91 0.00 1.82 1.50 0.00 3.37 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.00 196 S 7.77 3.59 0.00 3.85 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 0.00 197 E 7.89 4.15 0.00 2.15 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 2.32 2.43 0.00 198 L 7.82 4.12 0.00 1.95 1.87 1.04 1.41 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 0.00 199 Y 8.83 4.63 0.00 3.07 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 0.00 200 I 7.66 4.11 1.30 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 1.11 0.68 -0.28 0.00 0.00 201 N 8.31 4.28 0.00 2.76 2.75 0.00 0.00 7.29 8.67 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 0.00 202 W 8.52 4.25 0.00 3.47 3.27 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 0.00 203 A 8.30 4.00 1.42 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 0.00 204 A 8.57 4.25 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 205 A 8.45 3.84 1.33 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 0.00 206 M 7.90 2.91 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.69 0.00 207 Q 7.92 4.54 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.99 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 208 I 8.31 4.40 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 1.16 0.00 0.00 209 Q 8.81 5.13 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 210 F 7.63 4.81 0.00 2.90 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 0.00 211 H 8.34 4.51 0.00 3.34 3.28 0.00 5.82 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 0.00 212 V 8.81 3.81 2.41 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 1.02 0.00 0.00 0.98 0.00 0.00 213 R 8.32 4.10 0.00 2.03 2.09 0.00 3.10 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 214 D 7.87 4.58 0.00 2.84 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 0.00 215 L 6.81 3.65 0.00 1.22 1.61 -0.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.00 4.80 0.00 2.64 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 0.00 217 Q 8.30 4.65 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 218 G 9.71 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 0.00 219 F 8.43 4.31 0.00 3.20 3.26 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 0.00 220 N 7.28 4.76 0.00 2.47 2.60 0.00 0.00 6.95 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 0.00 221 G 5.64 3.52 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 0.00 0.00 0.00 222 T 9.39 4.14 4.20 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 1.23 0.00 0.00 223 R 8.39 3.94 0.00 1.91 1.89 0.00 2.21 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 224 E 7.68 3.48 0.00 1.16 1.34 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 0.00 2.12 1.96 0.00 225 E 7.87 4.12 0.00 2.47 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 2.29 0.00 226 W 8.37 3.70 0.00 3.32 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 0.00 227 A 8.02 4.34 1.55 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 0.00 228 K 8.12 3.97 0.00 1.87 1.89 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.61 7.81 229 S 8.13 4.08 0.00 3.92 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 0.00 230 Y 7.86 3.71 0.00 2.33 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 0.00 231 L 7.95 4.00 0.00 2.14 1.76 1.23 0.93 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 0.00 232 K 8.48 3.89 0.00 1.94 1.78 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 233 H 8.09 4.14 0.00 3.17 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 F 8.10 3.90 0.00 2.38 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 0.00 235 V 8.22 3.46 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 0.99 0.00 0.00 1.12 0.00 0.00 236 T 7.78 3.78 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 1.18 0.00 0.00 237 Q 7.97 3.93 0.00 2.38 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 238 A 8.09 2.90 0.98 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 0.00 239 E 8.24 3.70 0.00 2.01 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 2.22 2.23 0.00 240 Q 8.18 3.94 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.24 0.00 241 R 7.59 3.49 0.00 1.01 1.11 0.00 2.83 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 242 A 7.71 3.81 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 0.00 243 I 7.55 3.61 1.76 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 1.33 0.65 0.88 0.00 0.00 244 S 8.10 3.93 0.00 3.84 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 0.00 245 M 7.99 3.77 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.77 0.00 246 I 7.65 3.69 1.99 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 1.69 0.78 0.89 0.00 0.00 247 D 8.04 4.32 0.00 2.51 2.64 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 0.00 0.00 0.00 248 K 7.50 4.11 0.00 1.41 0.85 0.00 1.13 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 1.31 7.81 249 F 8.12 5.37 0.00 3.23 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 0.00 250 V 7.80 4.37 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 1.17 0.00 0.00 1.04 0.00 0.00 251 K 8.41 3.86 0.00 1.82 1.83 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 252 P 0.00 4.22 0.00 1.31 1.80 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 253 F 7.97 5.12 0.00 3.32 3.24 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 0.00 254 K 7.71 4.00 0.00 1.88 1.88 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.68 1.63 7.81 255 K 7.98 3.80 0.00 1.62 1.77 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.59 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.85 0.44 7.81 256 Y 7.78 4.54 0.00 3.28 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 0.00 257 I 7.99 4.49 1.93 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 1.53 0.73 1.02 0.00 0.00 258 L 7.88 4.28 0.00 1.65 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.