NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4815 8.3344 116.7973 58.2250 64.2375 173.1681 3 V 3.4665 8.7796 125.9845 64.8125 31.5642 174.2688 4 I 4.1382 8.0093 122.5489 59.3157 38.7500 174.9105 5 A 4.5104 8.1711 128.4956 51.0279 19.5440 178.1445 6 K 4.3578 8.6664 118.4461 58.6491 32.3997 177.1864 7 Q 4.8295 7.6031 116.3162 54.4353 31.5046 173.8914 8 M 5.2354 9.1853 123.9156 53.9103 37.1008 174.1456 9 T 5.1991 8.6862 110.4978 60.4618 72.7165 171.9620 10 Y 5.4321 8.5576 118.5325 55.8325 42.1314 173.5102 11 K 5.0923 9.3606 121.6328 54.4858 35.4465 174.9562 12 V 5.0993 8.6312 126.4469 60.1516 34.6611 173.9345 13 Y 5.1234 9.3363 122.5552 56.5687 40.2825 174.2423 14 M 5.4074 9.3904 125.2878 53.8428 35.4667 174.6226 15 S 4.5274 8.6654 118.4336 56.6519 67.3300 173.6725 16 G 3.9566 6.2644 106.2679 47.0122 0.0000 171.2258 17 T 5.3819 7.9650 115.3121 61.8059 72.8487 173.6722 18 V 4.6585 8.8352 125.4832 61.4210 34.3655 175.2974 19 N 4.2591 10.1830 127.2938 54.4409 36.6462 175.6604 20 G 3.9384 8.4803 104.6906 45.6286 0.0000 173.2253 21 H 4.7100 8.2774 121.2540 55.2491 30.4747 173.6585 22 Y 4.9999 8.6478 128.0749 57.5947 40.2508 173.9488 23 F 4.9703 7.6286 119.6564 55.8227 42.0943 172.7064 24 E 4.9985 9.1264 117.9083 54.6941 34.0995 174.9907 25 V 5.1218 8.9511 121.4672 61.4069 35.5201 174.0542 26 E 5.2487 9.5773 126.0093 54.6958 33.6526 175.0560 27 G 4.5022 8.9642 108.7990 44.7365 0.0000 171.0122 28 D 5.2983 9.0711 121.7821 52.1768 43.8569 175.6332 29 G 3.5051 8.0735 110.7514 44.0762 0.0000 171.3784 30 K 4.9526 7.7733 117.8929 55.8892 36.5442 175.6823 31 G 3.7384 7.6148 107.3745 46.0798 0.0000 171.7918 32 K 5.2629 8.1060 118.6352 52.7478 32.9341 175.0598 33 P 4.0671 0.0000 0.0000 65.7430 31.2915 178.2652 34 Y 4.4356 7.8674 112.2790 59.1510 38.1318 175.6446 35 E 4.4494 8.2092 118.4275 55.5217 30.8744 176.8377 36 G 4.0730 8.1090 106.1674 45.2423 0.0000 172.2249 37 E 5.3369 8.0077 118.8584 54.3819 32.3892 175.0372 38 Q 5.0408 8.7300 120.7944 55.5575 32.5581 173.0873 39 T 5.3465 8.9306 109.8238 60.3697 72.9059 172.9885 40 V 4.7356 8.7405 120.7805 60.3115 35.4812 173.4460 41 K 4.9163 9.0128 122.5325 54.7937 34.7805 175.1459 42 L 5.2864 9.2559 125.3078 53.3359 45.1033 175.7584 43 T 5.0330 9.0694 118.1897 61.7607 72.3621 173.3344 44 V 4.4509 8.8252 127.9412 63.2141 31.3585 175.5919 45 T 4.5977 8.9804 118.7386 62.1202 70.5374 174.7236 46 K 4.5987 7.9208 122.5901 56.0082 35.8009 177.0039 47 G 4.2404 8.8341 113.2044 46.4489 0.0000 173.8546 48 G 3.9629 7.7410 108.1211 43.6626 0.0000 172.0232 49 P 4.3896 0.0000 0.0000 61.9672 32.0089 176.4505 50 L 3.7331 8.1721 122.1102 54.3098 41.8579 175.1424 51 P 4.4742 0.0000 0.0000 62.7036 31.4865 175.3008 52 F 4.8585 6.3619 112.3237 54.4002 41.2010 174.1662 53 A 3.7569 8.3016 124.5890 51.9168 18.5023 178.3493 54 W 4.0048 8.6140 133.1282 61.0566 30.5000 177.5417 55 D 4.6311 8.3016 118.2738 57.5082 39.9455 178.7191 56 I 4.3764 7.4931 112.1404 63.6850 37.8606 177.8469 57 L 4.1636 7.9948 121.4236 56.8565 41.5113 179.1499 58 S 4.4071 7.7609 112.9336 61.0587 62.9829 174.2490 59 P 4.5186 0.0000 0.0000 63.3549 31.0649 176.4983 60 Q 4.7918 8.1956 116.9959 56.0716 29.6629 175.8126 61 L 4.6396 7.5527 118.7508 54.6040 42.7723 177.0713 *65 S 3.6706 7.6976 109.2568 58.2192 63.1897 174.3907 66 I 3.4997 7.1438 121.6723 63.3574 37.4162 176.6337 67 P 4.1704 0.0000 0.0000 65.1432 31.7469 176.8605 68 F 4.5389 7.9398 119.3643 57.0504 37.7599 175.1492 69 T 4.7896 7.2339 115.9443 61.4532 72.2749 175.5546 70 K 4.2999 9.0290 128.3214 56.3080 33.0991 174.8865 71 Y 4.7913 8.6295 125.9541 55.5134 39.5913 174.4309 72 P 4.5455 0.0000 0.0000 62.3001 32.3106 177.0276 73 E 4.0179 8.8643 119.2426 59.3599 29.4023 177.8690 74 D 4.7171 8.0561 115.2615 52.9708 39.9459 175.7577 75 I 4.4531 7.5787 121.3333 58.8022 38.9691 173.7661 76 P 4.1097 0.0000 0.0000 63.0890 31.7458 176.8410 77 D 3.4171 8.1538 122.1531 52.4122 40.3717 175.8234 78 Y 3.7574 7.7216 126.6951 60.3691 38.9106 177.5453 79 F 3.8394 7.4365 117.7581 60.4534 39.2913 177.8507 80 K 4.2405 8.5164 118.2204 59.6346 31.6047 179.5128 81 Q 4.0821 7.8250 117.6989 58.6322 28.7783 178.6373 82 S 3.9901 7.5558 115.3104 59.8646 62.9842 174.5741 83 F 4.6966 7.2234 120.5726 56.2038 39.3819 174.0381 84 P 4.7377 0.0000 0.0000 65.4537 31.7474 177.7354 85 E 3.9591 8.2387 118.5381 58.7905 29.8255 176.9686 86 G 3.2818 9.3730 104.3752 45.1486 0.0000 170.9755 87 Y 5.3674 7.7058 115.3993 56.1230 42.0523 173.4695 88 T 5.1677 9.1686 109.7599 59.8719 72.7935 172.4798 89 W 5.8109 8.3294 117.3955 55.5663 32.1683 173.3406 90 E 5.2801 9.1986 119.1663 54.8287 33.3388 174.9877 91 R 5.1694 9.2607 122.9531 54.8646 34.2464 173.6362 92 S 5.2121 9.0571 120.1623 56.7600 66.3222 172.8652 93 M 4.5513 9.0700 122.3698 53.9203 34.3623 174.7574 94 N 5.0051 8.9173 123.7296 51.3634 40.0199 174.7452 95 F 4.7293 9.0495 123.4447 56.6397 40.0213 177.0343 96 E 4.0780 8.9448 119.9579 58.7199 29.5200 177.5009 97 D 4.7677 8.4826 117.6990 53.0246 39.6597 177.2672 98 G 3.9291 8.2611 108.8494 45.1572 0.0000 174.2527 99 A 4.1606 7.6395 120.8083 52.0640 19.6398 176.8292 100 V 4.9799 8.3386 119.6935 61.4092 35.5301 173.8988 101 C 5.5598 9.3471 125.0739 58.1258 31.5300 172.8078 102 T 5.0540 9.1479 113.3091 59.9142 71.1356 173.2436 103 V 5.0433 8.9724 124.8136 61.1231 35.3466 174.2162 104 S 4.9069 8.8960 120.6884 56.6551 66.9878 172.2462 105 N 5.0411 8.2486 118.6710 51.8906 42.6439 172.2672 106 D 5.1264 8.9681 124.6601 52.4557 44.3343 174.6844 107 S 5.5602 8.9988 122.1041 56.9330 66.0177 173.4083 108 S 5.4628 9.5188 118.9602 56.7663 67.0421 172.2910 109 I 4.9864 8.5156 118.4134 59.5106 41.1574 174.9742 110 Q 4.3313 9.2084 128.6817 54.7225 30.8935 176.8518 111 G 3.8831 8.1169 117.6109 46.9365 0.0000 171.9391 112 N 4.6702 8.7288 120.6091 52.7065 38.8099 173.1010 113 C 5.0517 7.5732 118.8303 57.7803 34.9529 173.2607 114 F 4.9040 8.9761 125.0840 57.1968 40.4637 174.5632 115 I 4.9454 8.9847 122.4809 59.8517 40.2226 173.9925 116 Y 5.4760 9.0230 125.3567 56.2895 40.6087 174.2554 117 N 5.6732 9.5441 123.5358 51.8616 41.7322 173.2572 118 V 4.7845 9.2439 126.4636 59.7085 34.6613 174.6942 119 K 5.1259 9.0418 123.4428 54.5279 35.5615 174.9220 120 I 5.0255 8.5762 123.8471 59.2285 41.8479 173.7658 121 S 5.0565 9.4513 123.6211 56.4839 65.3658 172.5788 122 G 4.6391 9.3763 114.7424 44.5679 0.0000 171.5737 123 E 4.9906 8.7560 123.0805 54.6835 34.4717 175.0485 124 N 4.3348 8.7868 116.0916 54.3184 36.0653 174.9823 125 F 4.2161 8.2230 116.8369 56.4292 39.7480 174.3200 126 P 4.3635 0.0000 0.0000 62.0487 31.7090 175.4472 127 P 4.2692 0.0000 0.0000 65.3631 31.3400 176.8098 128 N 4.7535 8.0714 112.0882 52.9258 39.0757 175.3560 129 G 3.8888 8.0850 107.9497 42.9810 0.0000 173.2423 130 P 4.1356 0.0000 0.0000 65.3413 31.0658 178.9899 131 V 3.2505 7.2154 117.7561 66.2600 31.3810 177.8788 132 M 4.1378 7.7847 116.1499 57.6227 31.9531 177.5628 133 Q 4.2560 7.8383 115.9944 54.3092 29.9505 175.5457 134 K 3.6520 7.6117 118.2616 58.0559 29.7645 175.1784 135 K 4.6067 8.3022 114.8384 56.3220 33.8572 177.8883 136 T 4.6721 7.6879 110.5393 60.7892 70.2919 174.1136 137 Q 4.5417 8.7479 121.1362 55.6458 29.4525 176.8943 138 G 4.1030 8.9513 102.8802 45.2449 0.0000 173.1530 139 W 5.1185 8.3361 118.8162 55.7294 30.1147 176.6128 140 E 4.3153 9.4502 123.7007 55.6062 29.7418 175.2401 141 P 4.6194 0.0000 0.0000 63.5878 32.1868 175.6015 142 S 4.7298 8.9482 116.6806 56.9637 67.2992 172.9101 143 T 4.9208 8.1904 116.2311 61.7377 70.4474 173.3128 144 E 4.2684 8.9695 128.9305 55.4558 31.4638 175.1083 145 R 4.9718 8.7231 125.8080 54.4900 32.7432 175.1607 146 L 5.4880 8.9867 123.7371 53.0525 45.7524 175.4927 147 F 5.2625 8.3786 115.2779 55.4065 41.8296 173.0436 148 A 4.6762 8.6549 121.8496 51.4883 19.7515 177.4054 149 R 4.3368 9.1533 122.4658 56.0719 33.1375 174.8867 150 D 4.3226 9.8845 127.5978 55.5275 38.2874 174.8377 151 G 3.9830 8.1575 103.6696 45.9818 0.0000 172.7325 152 M 4.7862 7.9551 119.6055 53.4563 35.5525 174.3484 153 L 4.6938 8.1371 122.6222 53.3596 44.6027 174.9567 154 I 4.5736 8.4895 127.4743 59.3678 39.3547 174.8461 155 G 4.5890 9.0252 114.1391 43.5955 0.0000 171.6302 156 N 5.5356 8.7897 118.9179 51.4498 43.4202 173.2116 157 D 4.1764 8.4608 121.0949 53.2309 45.2440 173.6594 158 Y 4.8949 7.9693 124.1770 57.1575 38.1431 174.8341 159 M 4.5687 8.9407 124.4051 53.7693 35.2210 175.2698 160 A 5.1864 8.4773 121.4375 50.7374 22.9739 175.0136 161 L 4.6167 8.8324 123.2941 53.4378 43.5465 176.8990 162 K 4.3767 9.0749 123.6006 56.3817 33.5492 175.9977 163 L 5.1223 8.3045 122.2850 52.3546 45.4067 175.9205 164 E 4.1366 8.4905 123.4029 58.1564 29.8167 177.1699 165 G 3.9328 8.7067 114.6323 44.6340 0.0000 174.1064 166 G 3.9602 8.2668 106.8485 44.9282 0.0000 174.0159 167 G 4.0658 7.8169 107.0537 46.0062 0.0000 172.0340 168 H 5.5877 8.6346 115.0085 54.1736 33.3355 173.0837 169 Y 4.9917 8.9622 121.3090 56.1087 41.3242 174.5832 170 L 4.9904 9.6773 127.6563 54.4888 44.0474 175.9676 171 C 4.7429 8.6626 121.6427 58.2459 35.4138 172.2892 172 E 4.8065 9.1508 128.5894 55.7239 30.7414 174.9454 173 F 5.1647 9.2923 126.9200 56.4478 41.0283 175.0875 174 K 5.0562 8.9789 122.3164 54.7558 35.7141 175.4852 175 S 4.9798 9.0844 120.3913 56.8672 67.3544 173.1501 176 T 4.7874 8.6154 119.7624 61.9449 71.6787 172.3641 177 Y 5.4437 8.9954 124.7586 56.2387 40.8148 174.9070 178 K 4.9398 9.7327 125.0804 54.1470 34.5571 175.0073 179 A 4.4373 9.3857 129.6485 52.0730 18.5073 177.7642 180 K 4.1500 8.9497 120.2395 57.5135 32.6384 177.4389 181 K 4.6848 7.3743 116.4525 53.7181 35.6326 174.1702 182 P 4.3210 0.0000 0.0000 62.8344 31.7365 176.2543 183 V 4.4642 7.7965 114.3253 58.8886 35.4587 175.4692 184 R 4.0260 8.7145 121.0401 56.6262 30.1185 176.8735 185 M 4.3979 8.4559 123.2061 53.8514 33.0524 174.5309 186 P 4.5413 0.0000 0.0000 61.9605 32.7310 176.2978 187 G 3.9952 8.1740 107.8861 44.5440 0.0000 173.0518 188 R 4.4697 8.4534 118.6203 56.9958 30.6103 176.1598 189 H 5.0748 8.9078 118.1103 54.8103 32.8553 171.7445 190 E 5.0754 9.2450 116.5833 54.6766 34.0621 175.1545 191 I 4.6807 8.6148 123.9694 59.5670 39.9821 174.5239 192 D 4.9884 8.8574 128.3745 53.9358 42.1761 176.0592 193 R 5.1751 9.2745 121.6579 54.2218 34.9859 174.0783 194 K 4.9249 8.9324 122.6361 54.5216 35.3974 174.5064 195 L 5.3679 8.6762 128.3503 53.4695 44.8451 175.0944 196 D 4.9837 9.1035 125.0302 52.4375 45.4984 174.8496 197 V 4.2018 8.7165 123.5630 63.3748 31.4407 175.5468 198 T 4.4470 9.0422 119.7830 63.9323 70.0443 174.6782 199 S 4.6595 7.6179 114.6380 57.8611 66.4422 172.8719 200 H 4.9276 7.8316 113.4954 54.2346 30.6760 173.2450 201 N 4.4964 8.6351 118.7105 52.6277 38.2114 176.2837 202 R 3.8727 8.5550 118.0479 58.4187 30.2789 177.5034 203 D 4.8069 8.0478 115.3549 52.5055 39.5647 175.5537 204 Y 3.3437 7.5466 115.3022 59.6752 36.0106 171.2124 205 T 4.3417 8.2560 111.2110 63.1744 70.4925 174.3213 206 S 5.1205 7.9912 118.2445 56.7327 66.9471 173.1352 207 V 4.5402 8.2309 122.2600 61.4690 35.3808 172.8823 208 E 5.2163 9.1636 125.8061 54.7718 33.2062 174.9379 209 Q 5.2596 9.1947 121.6884 54.3550 33.7601 173.8570 210 C 5.3726 9.1347 115.0758 56.6979 33.7087 172.4799 211 E 5.2513 9.1052 120.1070 54.5982 33.4185 173.7263 212 I 5.1604 8.7074 125.3282 59.1661 41.2329 173.9086 213 A 5.1065 9.0226 130.2662 50.3538 22.3623 174.7178 214 I 4.8320 8.6465 122.7929 59.4825 41.0874 174.9252 215 A 4.6971 8.4512 129.5998 51.6570 19.4595 176.4389 216 R 4.5590 8.7761 116.0191 54.8603 33.4041 174.1830 217 H 4.5515 8.6512 116.8123 56.1332 29.3281 175.9445 218 S 4.3662 8.5974 116.9521 57.9355 63.6257 174.3268 219 L 4.1354 8.3333 122.8025 55.5461 41.8177 176.7877 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 4.48 0.00 3.89 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 3 V 8.78 3.47 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 0.89 0.00 0.00 0.98 0.00 0.00 4 I 8.01 4.14 1.94 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 1.26 0.69 0.70 0.00 0.00 5 A 8.17 4.51 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.67 4.36 0.00 1.90 1.98 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.56 1.42 7.81 7 Q 7.60 4.83 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 8 M 9.19 5.24 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.31 0.00 9 T 8.69 5.20 4.31 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 1.22 0.00 0.00 10 Y 8.56 5.43 0.00 3.01 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 11 K 9.36 5.09 0.00 1.80 1.65 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.20 0.77 7.81 12 V 8.63 5.10 2.60 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 0.97 0.00 0.00 1.16 0.00 0.00 13 Y 9.34 5.12 0.00 3.03 2.94 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 14 M 9.39 5.41 0.00 2.16 1.98 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 2.53 2.50 0.00 15 S 8.67 4.53 0.00 3.80 3.83 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 16 G 6.26 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 0.00 0.00 0.00 17 T 7.97 5.38 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 18 V 8.84 4.66 1.13 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 0.54 0.00 0.00 0.34 0.00 0.00 19 N 10.18 4.26 0.00 2.91 2.92 0.00 0.00 7.15 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 20 G 8.48 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 21 H 8.28 4.71 0.00 3.45 3.60 0.00 5.78 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.65 5.00 0.00 3.14 2.84 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 23 F 7.63 4.97 0.00 3.32 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 24 E 9.13 5.00 0.00 1.94 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 2.07 2.01 0.00 25 V 8.95 5.12 2.31 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 1.38 0.00 0.00 1.28 0.00 0.00 26 E 9.58 5.25 0.00 1.93 1.69 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 2.39 2.36 0.00 27 G 8.96 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 0.00 0.00 0.00 0.00 28 D 9.07 5.30 0.00 2.46 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 29 G 8.07 3.51 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 0.00 0.00 0.00 30 K 7.77 4.95 0.00 1.80 1.82 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.33 7.81 31 G 7.61 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 0.00 0.00 0.00 32 K 8.11 5.26 0.00 1.92 1.88 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.42 7.81 33 P 0.00 4.07 0.00 1.54 1.67 0.00 3.88 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.44 0.00 34 Y 7.87 4.44 0.00 3.05 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 35 E 8.21 4.45 0.00 2.16 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 2.39 2.46 0.00 36 G 8.11 4.07 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 0.00 37 E 8.01 5.34 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 38 Q 8.73 5.04 0.00 1.82 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 39 T 8.93 5.35 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 1.20 0.00 0.00 40 V 8.74 4.74 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 0.83 0.00 0.00 0.85 0.00 0.00 41 K 9.01 4.92 0.00 1.62 1.68 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.30 7.81 42 L 9.26 5.29 0.00 1.64 1.82 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.07 5.03 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 44 V 8.83 4.45 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 1.26 0.00 0.00 45 T 8.98 4.60 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 1.33 0.00 0.00 46 K 7.92 4.60 0.00 1.92 1.78 0.00 1.88 0.00 0.00 2.08 0.00 0.00 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0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.14 -0.64 0.00 0.00 67 P 0.00 4.17 0.00 1.02 1.63 0.00 3.56 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 0.90 2.14 0.00 68 F 7.94 4.54 0.00 3.15 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 69 T 7.23 4.79 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 1.00 0.00 0.00 70 K 9.03 4.30 0.00 1.84 1.70 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.74 7.81 71 Y 8.63 4.79 0.00 3.00 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 72 P 0.00 4.55 0.00 2.42 2.19 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 73 E 8.86 4.02 0.00 2.01 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 2.35 2.35 0.00 74 D 8.06 4.72 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 83 F 7.22 4.70 0.00 3.33 3.17 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 84 P 0.00 4.74 0.00 2.26 2.28 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 85 E 8.24 3.96 0.00 2.03 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 2.29 2.37 0.00 86 G 9.37 3.28 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 87 Y 7.71 5.37 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 88 T 9.17 5.17 4.31 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 1.18 0.00 0.00 89 W 8.33 5.81 0.00 3.36 3.38 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 90 E 9.20 5.28 0.00 1.86 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 2.20 2.35 0.00 91 R 9.26 5.17 0.00 1.96 1.94 0.00 3.00 0.00 0.00 2.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.00 92 S 9.06 5.21 0.00 3.84 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 93 M 9.07 4.55 0.00 1.56 1.98 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.02 0.00 94 N 8.92 5.01 0.00 2.56 2.74 0.00 0.00 6.67 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 95 F 9.05 4.73 0.00 3.12 2.85 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 96 E 8.94 4.08 0.00 2.13 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 0.00 2.32 2.47 0.00 97 D 8.48 4.77 0.00 2.90 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 98 G 8.26 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 0.00 0.00 0.00 99 A 7.64 4.16 0.50 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 0.00 100 V 8.34 4.98 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 1.08 0.00 0.00 0.92 0.00 0.00 101 C 9.35 5.56 0.00 3.03 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 0.00 102 T 9.15 5.05 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 1.20 0.00 0.00 103 V 8.97 5.04 2.23 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 1.09 0.00 0.00 1.01 0.00 0.00 104 S 8.90 4.91 0.00 3.68 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 0.00 105 N 8.25 5.04 0.00 1.44 1.42 0.00 0.00 6.82 7.77 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 0.00 106 D 8.97 5.13 0.00 2.64 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 0.00 107 S 9.00 5.56 0.00 2.98 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 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9.02 5.48 0.00 3.01 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 0.00 117 N 9.54 5.67 0.00 2.79 2.68 0.00 0.00 6.35 7.29 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 0.00 118 V 9.24 4.78 1.98 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 0.85 0.00 0.00 0.84 0.00 0.00 119 K 9.04 5.13 0.00 1.54 1.64 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.25 7.81 120 I 8.58 5.03 1.91 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 1.19 1.68 1.10 0.00 0.00 121 S 9.45 5.06 0.00 3.86 3.65 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 0.00 122 G 9.38 4.64 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 0.00 0.00 0.00 123 E 8.76 4.99 0.00 1.79 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 2.22 2.26 0.00 124 N 8.79 4.33 0.00 2.74 2.85 0.00 0.00 7.00 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 0.00 125 F 8.22 4.22 0.00 3.14 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 0.00 126 P 0.00 4.36 0.00 2.18 2.00 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 127 P 0.00 4.27 0.00 2.04 2.15 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 128 N 8.07 4.75 0.00 2.68 2.79 0.00 0.00 6.86 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 0.00 129 G 8.08 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.14 0.00 1.90 2.05 0.00 3.28 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.33 0.00 131 V 7.22 3.25 1.65 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 -0.01 0.00 0.00 0.66 0.00 0.00 132 M 7.78 4.14 0.00 2.02 2.36 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 133 Q 7.84 4.26 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 134 K 7.61 3.65 0.00 1.76 1.69 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.14 1.30 7.81 135 K 8.30 4.61 0.00 1.49 1.69 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 136 T 7.69 4.67 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 1.06 0.00 0.00 137 Q 8.75 4.54 0.00 1.81 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.54 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 138 G 8.95 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 0.00 139 W 8.34 5.12 0.00 3.20 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 0.00 140 E 9.45 4.32 0.00 1.90 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 2.61 2.49 0.00 141 P 0.00 4.62 0.00 1.94 2.01 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 142 S 8.95 4.73 0.00 3.87 3.75 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 0.00 143 T 8.19 4.92 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 1.22 0.00 0.00 144 E 8.97 4.27 0.00 2.00 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 2.19 2.17 0.00 145 R 8.72 4.97 0.00 1.74 1.81 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 146 L 8.99 5.49 0.00 1.26 1.36 0.80 0.67 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 0.00 147 F 8.38 5.26 0.00 3.10 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.65 4.68 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 0.00 149 R 9.15 4.34 0.00 1.90 1.71 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 150 D 9.88 4.32 0.00 2.82 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 0.00 151 G 8.16 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 0.00 152 M 7.96 4.79 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 153 L 8.14 4.69 0.00 0.67 1.28 0.58 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.49 4.57 0.56 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 0.61 0.56 0.69 0.00 0.00 155 G 9.03 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.79 5.54 0.00 2.53 2.53 0.00 0.00 6.41 7.91 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 0.00 157 D 8.46 4.18 0.00 2.47 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 0.00 0.00 0.00 158 Y 7.97 4.89 0.00 2.92 2.84 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 0.00 159 M 8.94 4.57 0.00 1.46 1.58 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.68 0.00 160 A 8.48 5.19 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 0.00 161 L 8.83 4.62 0.00 1.77 1.43 0.70 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 162 K 9.07 4.38 0.00 1.79 1.67 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.48 7.81 163 L 8.30 5.12 0.00 1.63 1.46 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.49 4.14 0.00 1.90 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 2.31 2.26 0.00 165 G 8.71 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 0.00 0.00 0.00 166 G 8.27 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 0.00 0.00 0.00 167 G 7.82 4.07 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 0.00 168 H 8.63 5.59 0.00 3.02 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 8.96 4.99 0.00 2.97 2.82 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 0.00 170 L 9.68 4.99 0.00 1.66 1.57 0.94 0.78 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 0.00 171 C 8.66 4.74 0.00 2.66 2.87 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 0.00 172 E 9.15 4.81 0.00 2.18 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 2.39 2.55 0.00 173 F 9.29 5.16 0.00 2.90 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 0.00 174 K 8.98 5.06 0.00 1.62 1.64 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.40 7.81 175 S 9.08 4.98 0.00 3.44 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 0.00 176 T 8.62 4.79 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 1.16 0.00 0.00 177 Y 9.00 5.44 0.00 2.82 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 9.73 4.94 0.00 1.88 1.79 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 179 A 9.39 4.44 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 0.00 180 K 8.95 4.15 0.00 1.76 1.85 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.37 7.81 181 K 7.37 4.68 0.00 1.75 1.68 0.00 1.53 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.31 7.81 182 P 0.00 4.32 0.00 2.04 2.02 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 183 V 7.80 4.46 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 0.53 0.00 0.00 0.50 0.00 0.00 184 R 8.71 4.03 0.00 1.91 1.87 0.00 3.14 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 185 M 8.46 4.40 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 186 P 0.00 4.54 0.00 2.17 2.22 0.00 3.70 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 1.98 1.91 0.00 187 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 R 8.45 4.47 0.00 1.76 1.96 0.00 3.16 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 189 H 8.91 5.07 0.00 3.38 3.38 0.00 5.21 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 E 9.24 5.08 0.00 1.83 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 2.19 2.26 0.00 191 I 8.61 4.68 1.71 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 0.97 0.71 0.74 0.00 0.00 192 D 8.86 4.99 0.00 2.53 2.53 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 0.00 193 R 9.27 5.18 0.00 1.53 1.67 0.00 2.90 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 194 K 8.93 4.92 0.00 1.80 1.61 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 195 L 8.68 5.37 0.00 1.64 1.57 1.13 1.14 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 0.00 196 D 9.10 4.98 0.00 2.64 2.54 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 0.00 0.00 0.00 0.00 197 V 8.72 4.20 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 0.84 0.00 0.00 1.18 0.00 0.00 198 T 9.04 4.45 4.23 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 1.23 0.00 0.00 199 S 7.62 4.66 0.00 3.74 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 0.00 200 H 7.83 4.93 0.00 2.60 2.78 0.00 5.53 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 0.00 201 N 8.64 4.50 0.00 2.75 2.89 0.00 0.00 7.13 8.52 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 0.00 202 R 8.56 3.87 0.00 1.77 1.99 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 203 D 8.05 4.81 0.00 2.76 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 0.00 204 Y 7.55 3.34 0.00 3.03 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 0.00 205 T 8.26 4.34 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 1.29 0.00 0.00 206 S 7.99 5.12 0.00 3.64 3.65 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 0.00 207 V 8.23 4.54 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 0.22 0.00 0.00 -0.08 0.00 0.00 208 E 9.16 5.22 0.00 1.83 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 2.15 2.16 0.00 209 Q 9.19 5.26 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 210 C 9.13 5.37 0.00 3.05 2.98 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 0.00 211 E 9.11 5.25 0.00 2.04 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 0.00 2.17 2.35 0.00 212 I 8.71 5.16 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 1.18 1.61 0.91 0.00 0.00 213 A 9.02 5.11 1.16 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 0.00 0.00 0.00 214 I 8.65 4.83 1.81 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 1.14 0.73 0.86 0.00 0.00 215 A 8.45 4.70 0.33 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 0.00 216 R 8.78 4.56 0.00 1.80 1.94 0.00 2.77 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 217 H 8.65 4.55 0.00 3.09 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 S 8.60 4.37 0.00 3.90 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 0.00 219 L 8.33 4.14 0.00 1.59 1.56 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.