NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3907 8.3044 120.3441 54.9652 33.3912 173.9615 2 K 4.0531 8.6166 121.7561 56.6462 31.7854 175.8538 3 M 4.5701 8.7735 126.1183 55.5030 33.2459 177.6001 4 K 3.9765 7.9440 121.1895 59.7803 32.6973 178.2805 5 E 4.0616 8.3580 118.3556 59.4290 29.3120 179.1320 6 F 4.3898 8.4073 120.2649 61.3396 39.6138 177.1835 7 L 3.6953 7.9512 118.2544 57.5095 41.3416 179.1254 8 D 4.2890 7.9895 118.8322 57.3861 40.7612 178.7047 9 L 3.9260 7.6105 118.7085 57.8090 41.4577 179.3409 10 L 3.7362 7.5021 118.9823 58.3288 42.0373 178.5458 11 N 4.4633 8.2359 114.7949 55.3760 38.5725 176.7498 12 E 4.1707 7.8757 119.5263 57.3971 30.3694 177.1424 13 S 4.0310 7.6672 112.4557 59.0072 62.9395 174.2053 14 R 4.0388 8.6214 127.1840 58.4946 30.4515 176.1515 15 L 4.6454 8.1627 120.4970 53.8664 45.2610 175.0362 16 T 5.1626 8.5906 122.7959 61.8772 71.5344 173.6234 17 V 5.0510 8.6380 124.2553 61.3105 35.6045 174.1009 18 T 5.1260 8.4637 114.2122 59.7216 72.2887 172.2857 19 L 5.0788 8.9780 126.5511 53.5625 44.6863 175.0707 20 T 5.0851 8.8242 116.5498 60.1696 72.2826 174.0423 21 G 4.4001 8.4559 111.1789 43.9270 0.0000 172.8089 22 A 4.0983 8.8127 120.5589 55.0430 18.5367 180.3800 23 G 3.6757 8.5987 102.8355 47.7831 0.0000 175.1853 24 I 3.9332 7.6035 118.6734 62.5421 38.3987 176.8296 25 S 4.7065 7.7501 114.3282 59.6272 64.1241 175.8381 26 T 4.8526 7.7402 114.2820 63.8267 68.0094 174.2754 27 P 4.4375 0.0000 0.0000 64.2881 31.5476 177.4359 28 S 4.6208 8.1846 113.2120 58.2241 63.1283 174.6865 29 G 3.9258 7.9397 110.3492 45.1279 0.0000 173.2965 30 I 4.2754 7.4485 121.0233 58.5703 38.1932 173.5408 31 P 4.5691 0.0000 0.0000 62.4361 32.3421 176.6833 32 D 4.3838 8.0632 123.7133 52.5919 40.6419 175.3227 33 F 4.8316 8.3006 116.3132 56.1147 42.9583 174.3495 *45 Q 3.8571 8.1454 119.7590 56.2279 29.5085 175.4720 46 N 4.4149 8.7308 118.6323 54.5034 37.0120 176.2717 47 V 3.9535 7.2832 109.1353 62.6467 32.0255 176.7349 48 F 5.0985 8.1451 118.2004 57.5296 39.3086 174.4381 49 D 5.2855 8.1665 122.0226 53.5250 42.7100 177.1841 50 I 3.2936 8.5123 124.2047 64.0400 38.1066 178.0520 51 D 4.5659 8.1989 119.6649 56.3313 39.2707 178.1335 52 F 4.2502 8.1833 121.7030 60.6861 39.4483 176.9596 53 F 3.7898 7.9196 120.6706 61.3504 38.8582 176.8658 54 Y 4.0616 7.3177 115.0476 60.8272 37.6748 178.2879 55 S 4.2611 7.8543 115.4053 60.4936 63.9806 174.7692 56 H 4.7753 7.5141 120.3119 52.4975 29.0201 172.3025 57 P 3.9427 0.0000 0.0000 64.4770 31.4720 177.7077 58 E 4.4172 8.0263 117.4090 58.9656 29.5696 178.9183 59 E 4.1154 8.0969 119.1868 58.8296 29.6593 178.7974 60 F 4.2566 7.8664 120.3441 61.6959 39.6338 176.9412 61 Y 4.2179 8.2622 115.7921 60.3159 37.1406 178.4035 62 R 4.0614 7.8039 120.1937 59.2453 30.1682 178.1624 63 F 4.2074 8.0746 120.1762 60.8113 39.3162 176.8461 64 A 2.8828 7.5859 120.8413 54.9279 17.8024 179.6442 65 K 4.0975 7.0554 115.1408 59.1257 32.1017 178.1760 66 E 4.3839 7.0290 114.8465 57.3264 30.5277 177.2372 67 G 3.7255 7.6801 102.0363 44.6104 0.0000 172.7700 68 I 4.2755 7.3521 119.3547 62.3087 40.1802 177.5716 69 F 4.6150 7.4576 118.2028 60.7615 38.7063 176.0705 70 P 4.4101 0.0000 0.0000 65.1242 30.7871 178.0330 71 M 4.1555 8.4522 117.6390 58.0911 31.8330 177.9863 72 L 4.1039 7.7721 118.4420 57.5661 41.8403 178.1629 73 Q 4.1130 7.8274 116.2974 57.4543 29.1272 176.5088 74 A 4.0767 7.3805 120.6937 52.3451 18.8770 176.8234 75 K 4.6191 8.1826 120.5785 53.6811 34.3616 174.9087 76 P 4.2325 0.0000 0.0000 62.7549 32.0138 176.5822 77 N 4.9705 8.5754 120.0680 51.3481 41.1004 174.9925 78 L 3.8968 8.4530 119.8430 58.5862 41.9520 179.2261 79 A 3.9689 8.3854 120.6252 55.4238 18.4474 179.1723 80 H 4.1343 8.2913 114.2485 59.1319 28.7619 177.9496 81 V 3.6042 8.0275 119.9656 65.8918 31.2705 177.5255 82 L 3.9394 8.1826 120.3011 58.4651 41.7805 179.0098 83 L 4.0022 8.0972 118.4073 57.7778 41.4900 179.4749 84 A 4.0464 7.8872 120.3246 55.0104 18.3223 179.8838 85 K 3.9618 8.3185 117.3586 59.6212 32.0497 179.6461 86 L 4.0466 8.3075 119.5984 57.4568 41.4442 179.3007 87 E 4.1918 7.9598 120.5787 58.9051 29.4878 178.4588 88 E 4.1430 7.9575 117.7719 58.7585 29.6459 177.8900 89 K 4.4303 7.7312 116.1507 55.5031 32.3202 177.1721 90 G 3.9238 8.1333 107.3964 46.2906 0.0000 174.9929 91 L 4.3191 8.6591 121.3267 55.2306 41.9226 177.1574 92 I 4.7326 7.3286 111.7141 58.7797 40.4284 175.5534 93 E 4.0585 9.6085 126.2050 59.1328 30.1403 176.0530 94 A 4.6800 7.6652 118.4134 51.1081 23.3328 174.7150 95 V 4.6656 8.5652 118.9239 60.4172 34.2064 174.3030 96 I 4.6904 8.9638 129.6303 59.9940 39.0503 174.7482 97 T 5.0729 9.1018 121.8983 60.5347 70.4197 174.1214 98 Q 4.2574 8.6840 124.2182 56.1560 29.6343 175.9708 99 N 4.7131 8.2352 117.2878 52.6299 39.7268 175.0717 100 I 4.5796 8.2887 112.2700 59.9837 38.4893 176.8019 101 D 4.4223 8.0148 120.3690 54.3784 39.6720 176.7177 102 R 4.3887 7.9926 117.1874 56.6562 27.6253 177.8463 103 L 4.0617 8.2813 119.7952 57.2994 41.7032 178.8042 104 H 4.3849 7.9582 116.3365 59.0403 28.7860 177.4497 105 Q 4.1937 8.0869 119.3019 59.2123 28.3838 179.1035 106 R 3.9970 7.7163 117.2969 58.7182 30.1429 178.2496 107 A 4.2918 7.6555 119.0323 52.3948 18.7957 177.9642 108 G 4.0421 7.8829 104.5505 45.0018 0.0000 174.4327 109 S 4.3763 7.9010 116.5104 58.6587 63.2381 174.4094 110 K 4.0693 9.8234 126.0118 58.0138 32.3532 176.6470 111 K 4.4237 8.4397 121.4211 54.3736 33.2168 174.2813 112 V 4.7335 8.1647 125.5797 60.8214 34.1486 174.2737 113 I 4.2610 9.1364 129.7712 59.9626 38.8181 174.9172 114 E 4.8421 8.6603 128.0898 54.9635 29.0776 176.3072 115 L 4.0445 8.5835 126.1660 56.3851 42.4795 178.2208 116 H 4.7468 8.0372 115.2279 55.1970 29.7174 175.2173 117 G 3.9216 9.0808 109.8077 44.9005 0.0000 172.4496 118 N 5.1403 8.1608 115.0893 51.7650 40.3073 174.7993 119 V 4.0650 8.3346 111.2072 62.5347 32.2263 177.0384 120 E 4.6354 8.7610 119.5713 56.9446 31.2550 175.5216 121 E 5.1550 8.4056 119.4543 54.9863 32.0538 174.7152 122 Y 5.2291 9.2155 120.8415 56.8492 43.0696 173.6118 123 Y 5.5638 8.4226 116.2277 56.3118 41.9838 173.2196 124 C 4.7213 9.4693 123.1742 59.4648 32.0893 174.7959 125 V 3.8758 9.0871 127.1599 66.0278 31.2471 177.1015 126 R 4.1392 8.0001 119.4595 58.3601 29.1903 176.3341 127 C 4.5461 8.0490 109.8735 57.1909 30.2748 173.6011 128 E 4.2808 8.3946 118.2916 57.4298 27.3159 174.2762 129 K 4.2071 7.5878 120.6566 56.3922 33.2424 176.1430 130 K 4.9531 8.5907 127.0196 56.7015 33.0121 175.9072 131 Y 4.9453 9.3733 121.2367 56.5480 42.8842 174.9064 132 T 5.0613 9.0215 112.6054 60.5468 71.0446 176.2857 133 V 3.3661 8.5805 122.4651 64.9408 31.2698 178.3410 134 E 3.8585 8.0896 118.4818 58.6853 29.3156 178.7359 135 D 4.2942 7.7798 118.9884 57.3293 40.9280 178.8458 136 V 3.3106 7.4201 118.4075 65.9187 31.2045 178.1051 137 I 3.2150 7.2273 118.7083 63.8233 37.0807 178.0825 138 K 3.9578 7.6895 120.4608 59.5933 31.6617 179.0035 139 K 3.8876 8.1275 118.7909 59.3056 31.7437 178.5038 140 L 4.6335 7.5231 117.8363 55.1837 41.7832 178.1543 141 E 4.2560 7.9723 118.9389 57.4863 30.6840 176.6367 142 S 4.6730 8.0651 111.6845 55.3549 63.0537 173.8248 143 S 5.2214 7.1768 121.2891 59.0640 64.2112 176.4083 144 D 4.7827 7.9431 124.4881 53.9250 40.0334 176.2912 145 V 4.3751 7.1570 112.6858 59.2392 36.0315 172.0898 146 P 4.2835 0.0000 0.0000 62.6215 32.2637 174.9796 147 L 5.0628 8.1213 124.0392 52.4292 44.4751 176.0143 148 C 4.2583 9.2584 123.9196 59.9073 32.2140 174.3032 149 D 4.5823 9.9037 125.0972 56.4991 41.1579 177.9372 150 D 4.5989 8.4094 118.3419 56.3640 41.0288 176.9432 151 C 4.6686 7.8589 110.3291 57.0182 30.3395 173.6342 152 N 5.4222 8.1630 115.7199 54.2202 37.1308 173.5956 153 S 4.7170 7.3155 111.6639 56.4543 65.2248 173.4193 154 L 4.3198 8.5477 123.6286 56.3222 42.8932 175.6716 155 I 4.9670 8.5765 127.3690 59.9582 38.3774 175.3697 156 R 5.1911 8.9823 123.9430 52.7204 32.4831 173.7851 157 P 3.4276 0.0000 0.0000 61.9263 32.5103 176.2723 158 N 4.9691 8.3990 122.6072 52.5482 36.7670 173.5867 159 I 4.8677 7.1154 113.1361 58.7077 41.7223 176.7845 160 V 4.1108 8.1605 124.6291 62.2502 31.7341 175.7807 161 F 4.4749 9.6082 127.7774 56.2718 41.1244 175.6854 162 F 4.2010 9.1596 120.9189 59.3023 39.0515 176.6646 163 G 4.1852 9.3541 113.2134 45.2025 0.0000 172.6971 164 E 4.7865 7.6602 118.2430 54.1823 32.1475 175.2910 165 N 4.6421 8.4573 118.2446 52.6878 39.4113 175.7549 166 L 4.2555 8.2878 122.8120 53.4327 42.7854 175.1645 167 P 4.3821 0.0000 0.0000 63.2536 32.1234 177.4949 168 Q 3.9081 8.7828 120.7243 59.3554 28.9079 178.2999 169 D 4.3832 8.1754 119.1614 57.5123 40.8536 178.9060 170 A 3.9586 7.8579 120.4836 55.0911 18.5192 179.2823 171 L 3.8870 7.8541 118.9140 58.1880 42.0469 179.2041 172 R 3.8630 8.4855 119.2036 59.3959 30.0088 178.1729 173 E 3.9222 8.3273 118.9732 58.9951 29.5947 178.6852 174 A 3.9579 8.0239 121.0179 55.1737 18.4906 179.7323 175 I 3.7560 7.9992 118.5829 64.2374 37.0192 178.7794 176 G 3.6334 8.3780 106.9722 48.0233 0.0000 175.7034 177 L 4.0204 8.2683 122.4810 57.4718 41.5918 179.9139 178 S 4.1689 8.2532 115.3794 61.4127 62.4904 176.7702 179 S 4.2341 7.8812 116.1677 60.9892 63.0078 176.2296 180 R 4.1137 7.5475 120.4865 57.0622 30.6730 177.0678 181 A 4.2663 7.7277 122.7199 52.4195 18.9542 177.7641 182 S 4.7426 8.8052 116.0163 58.8032 65.0072 173.6913 183 L 4.9570 7.5735 123.0665 54.1817 45.5777 173.3085 184 M 5.1755 9.3842 126.5994 53.7640 35.1891 174.1530 185 I 4.9275 8.8113 126.8525 59.6429 40.3682 174.5362 186 V 4.5092 8.7435 128.6742 61.6144 33.3280 174.6585 187 L 4.7733 9.0388 127.9337 53.0760 44.7448 176.8594 188 G 3.8411 9.3275 114.6820 46.6807 0.0000 172.0385 189 S 4.8516 7.9807 113.4102 55.8847 64.5822 173.8438 190 S 4.2301 8.8447 121.4970 58.6986 63.8735 173.5327 191 L 3.6044 7.5205 120.4283 56.5923 38.7636 174.7707 192 V 4.5189 7.4398 107.0923 60.5867 34.4219 176.4693 193 V 4.3963 7.5037 120.4232 61.5310 32.7194 174.1103 194 Y 4.9387 8.5003 123.4637 55.5987 40.9706 173.7939 195 P 4.7594 0.0000 0.0000 63.2674 32.1514 177.8288 196 A 3.8567 8.0294 122.5163 55.5735 17.9837 179.6019 197 A 3.6518 7.4926 118.1713 55.0143 18.5282 179.0566 198 E 4.0255 7.7961 115.4910 57.9103 29.8257 178.7829 199 L 3.9157 7.7578 120.0350 57.4503 41.7845 177.6386 200 P 4.1632 0.0000 0.0000 65.1384 31.1335 178.4552 201 L 3.9358 7.3164 118.9124 58.0710 42.2031 178.8522 202 I 3.6799 7.7825 119.7703 64.6786 37.0329 178.5395 203 T 4.2855 7.6414 117.3697 66.1809 68.3060 176.9431 204 V 4.2144 7.5277 120.9711 65.7022 31.3860 178.3121 205 R 4.0730 8.1664 116.6063 58.5089 29.9597 178.1289 206 S 4.5558 7.4687 112.8316 58.1433 63.2654 174.3644 207 G 4.0719 7.9188 110.5755 45.4282 0.0000 174.8088 208 G 3.9545 8.0031 106.8718 45.4868 0.0000 173.2383 209 K 4.9907 8.8023 120.2161 54.8529 35.0378 175.5080 210 L 5.2470 8.2840 122.4573 53.3765 45.5068 174.9690 211 V 4.9408 9.0289 125.9840 61.1892 34.6240 173.9191 212 I 4.7773 8.7570 128.6126 59.4705 40.0715 174.6718 213 V 4.5778 8.7222 127.4610 61.5895 33.4917 173.6546 214 N 4.8444 8.6239 125.0891 52.6235 42.9385 173.9112 215 L 4.7119 8.6825 126.6364 53.4080 40.4616 175.9215 216 G 4.3571 8.0954 109.1679 42.5934 0.0000 170.4648 217 E 4.5569 8.1036 120.2266 55.9776 30.5639 176.6772 218 T 4.7663 8.5633 110.1903 59.1976 71.7955 173.3949 219 P 4.2079 0.0000 0.0000 64.6289 31.5693 177.0686 220 F 4.9163 7.6834 115.2000 57.1651 39.3973 177.1484 221 D 4.5066 8.2530 124.0500 57.1507 40.7553 178.5388 222 D 4.4931 8.1028 117.9304 55.3304 39.7822 176.9133 223 I 4.1788 7.5133 110.5263 60.4159 38.2077 175.5876 224 A 4.2621 7.3950 124.0653 52.5748 18.8792 177.9875 225 T 4.2411 9.0089 120.2894 66.0569 69.3647 175.5533 226 L 4.7801 7.8226 119.7138 52.7651 46.3548 175.4465 227 K 4.7978 8.4436 123.5010 54.8974 35.0857 174.9541 228 Y 4.2799 9.2382 125.9699 56.4025 39.3574 173.8789 229 N 5.9377 8.8511 124.0681 51.5713 37.8437 173.1635 230 M 4.6526 7.7943 119.8952 53.6419 34.6950 174.0931 231 D 4.4447 8.5723 118.7961 54.2949 42.0989 177.4709 232 V 3.6879 8.4561 119.4899 64.4787 31.5668 178.9588 233 V 3.6281 7.8362 117.7638 65.9009 31.4126 177.5896 234 E 4.0849 8.6394 119.2176 58.8985 29.3457 178.6245 235 F 3.9427 8.3385 120.7103 61.0681 39.5117 176.8401 236 A 3.8046 8.5114 120.7251 55.1887 18.1773 179.4444 237 R 3.7600 8.3798 117.3754 59.7990 30.0676 178.9400 238 R 3.8323 7.9874 117.8210 59.1942 30.0602 179.2602 239 V 3.3884 7.6034 118.3378 66.0296 31.4105 178.0944 240 M 4.0523 7.8899 118.6036 58.0970 31.6160 178.3002 241 E 3.9005 8.0182 118.5856 59.2609 29.9901 178.2411 242 E 4.3469 8.3146 116.2550 57.3591 29.8793 177.8700 243 G 4.0798 7.5876 103.3783 42.8223 0.0000 172.9028 244 G 4.0281 8.1899 108.5417 46.5665 0.0000 175.8303 245 I 3.8465 7.9387 120.1528 63.5862 37.6526 176.8771 246 S 4.1699 7.6756 118.8722 59.0714 63.6454 174.3487 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.39 0.00 2.17 2.43 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 2 K 8.62 4.05 0.00 1.83 1.83 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.77 7.81 3 M 8.77 4.57 0.00 2.08 2.09 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 2.68 2.67 0.00 4 K 7.94 3.98 0.00 1.87 1.86 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.56 7.81 5 E 8.36 4.06 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 6 F 8.41 4.39 0.00 3.42 3.34 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 7 L 7.95 3.70 0.00 1.75 1.63 0.94 0.87 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 8 D 7.99 4.29 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.61 3.93 0.00 1.77 1.70 1.04 0.47 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 10 L 7.50 3.74 0.00 0.85 1.47 0.85 0.79 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 11 N 8.24 4.46 0.00 2.69 2.81 0.00 0.00 7.09 7.26 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 12 E 7.88 4.17 0.00 2.03 1.97 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 2.30 2.33 0.00 13 S 7.67 4.03 0.00 3.87 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 14 R 8.62 4.04 0.00 1.80 1.92 0.00 3.23 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 15 L 8.16 4.65 0.00 1.71 1.44 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.59 5.16 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 1.24 0.00 0.00 17 V 8.64 5.05 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 1.06 0.00 0.00 0.92 0.00 0.00 18 T 8.46 5.13 4.24 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 1.25 0.00 0.00 19 L 8.98 5.08 0.00 1.66 1.46 0.89 0.41 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 20 T 8.82 5.09 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 1.23 0.00 0.00 21 G 8.46 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.81 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.60 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 0.00 0.00 0.00 24 I 7.60 3.93 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.93 0.00 0.00 25 S 7.75 4.71 0.00 3.90 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 26 T 7.74 4.85 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 1.38 0.00 0.00 27 P 0.00 4.44 0.00 2.04 2.15 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 28 S 8.18 4.62 0.00 3.99 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 29 G 7.94 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 30 I 7.45 4.28 1.86 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 1.41 0.67 0.89 0.00 0.00 31 P 0.00 4.57 0.00 1.94 1.91 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 32 D 8.06 4.38 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.30 4.83 0.00 3.02 3.04 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 *45 Q 8.15 3.86 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.10 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 46 N 8.73 4.41 0.00 2.51 2.74 0.00 0.00 6.89 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.28 3.95 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -0.08 0.00 0.00 48 F 8.15 5.10 0.00 3.36 3.16 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 49 D 8.17 5.29 0.00 3.06 2.99 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 50 I 8.51 3.29 1.93 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.31 1.07 0.00 0.00 51 D 8.20 4.57 0.00 3.00 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 52 F 8.18 4.25 0.00 3.20 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.92 3.79 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.32 4.06 0.00 2.97 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 55 S 7.85 4.26 0.00 3.62 3.54 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 56 H 7.51 4.78 0.00 2.09 2.95 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.94 0.00 2.07 1.68 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 58 E 8.03 4.42 0.00 2.21 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 2.38 2.22 0.00 59 E 8.10 4.12 0.00 2.08 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 2.41 2.40 0.00 60 F 7.87 4.26 0.00 3.32 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 61 Y 8.26 4.22 0.00 3.21 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 62 R 7.80 4.06 0.00 2.03 2.18 0.00 3.21 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 63 F 8.07 4.21 0.00 3.08 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 64 A 7.59 2.88 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.06 4.10 0.00 1.81 1.97 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.81 1.83 7.81 66 E 7.03 4.38 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 67 G 7.68 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 68 I 7.35 4.28 1.29 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 1.30 0.23 0.88 0.00 0.00 69 F 7.46 4.61 0.00 3.01 2.99 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 70 P 0.00 4.41 0.00 2.13 2.10 0.00 3.53 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 71 M 8.45 4.16 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 72 L 7.77 4.10 0.00 1.79 1.75 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.83 4.11 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 74 A 7.38 4.08 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 75 K 8.18 4.62 0.00 1.74 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.43 7.81 76 P 0.00 4.23 0.00 2.04 2.08 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 77 N 8.58 4.97 0.00 2.99 3.01 0.00 0.00 5.84 6.67 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 78 L 8.45 3.90 0.00 1.78 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.39 3.97 1.35 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 0.00 0.00 80 H 8.29 4.13 0.00 3.41 3.37 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.03 3.60 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 0.98 0.00 0.00 82 L 8.18 3.94 0.00 1.87 1.92 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.10 4.00 0.00 1.97 1.74 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.89 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.32 3.96 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.65 7.81 86 L 8.31 4.05 0.00 1.84 1.74 1.02 1.04 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 87 E 7.96 4.19 0.00 2.10 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 2.31 2.17 0.00 88 E 7.96 4.14 0.00 2.02 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 0.00 2.33 2.51 0.00 89 K 7.73 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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 1.31 0.00 0.00 98 Q 8.68 4.26 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.64 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 99 N 8.24 4.71 0.00 2.74 2.89 0.00 0.00 6.83 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.29 4.58 1.76 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 1.12 1.33 0.87 0.00 0.00 101 D 8.01 4.42 0.00 2.79 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 0.00 102 R 7.99 4.39 0.00 2.04 2.05 0.00 3.58 0.00 0.00 3.58 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 103 L 8.28 4.06 0.00 1.29 1.25 0.91 1.13 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 0.00 104 H 7.96 4.38 0.00 3.19 3.34 0.00 5.63 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 0.00 105 Q 8.09 4.19 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 106 R 7.72 4.00 0.00 1.73 1.98 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 107 A 7.66 4.29 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 0.00 108 G 7.88 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 0.00 109 S 7.90 4.38 0.00 3.94 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 0.00 110 K 9.82 4.07 0.00 1.70 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.37 7.81 111 K 8.44 4.42 0.00 1.80 1.66 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.33 7.81 112 V 8.16 4.73 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 0.87 0.00 0.00 0.97 0.00 0.00 113 I 9.14 4.26 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.91 0.00 0.00 114 E 8.66 4.84 0.00 1.83 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 0.00 2.25 2.32 0.00 115 L 8.58 4.04 0.00 1.25 1.58 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.04 4.75 0.00 3.14 3.00 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 9.08 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 0.00 118 N 8.16 5.14 0.00 2.79 2.76 0.00 0.00 6.93 7.19 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 0.00 119 V 8.33 4.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.09 0.00 0.00 120 E 8.76 4.64 0.00 2.11 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 2.36 2.36 0.00 121 E 8.41 5.15 0.00 1.98 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 0.00 2.40 2.65 0.00 122 Y 9.22 5.23 0.00 3.17 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 0.00 123 Y 8.42 5.56 0.00 3.24 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 0.00 124 C 9.47 4.72 0.00 3.31 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 0.00 125 V 9.09 3.88 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.23 0.00 0.00 126 R 8.00 4.14 0.00 1.86 1.98 0.00 3.36 0.00 0.00 3.31 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 127 C 8.05 4.55 0.00 3.18 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 0.00 128 E 8.39 4.28 0.00 2.17 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 2.22 2.29 0.00 129 K 7.59 4.21 0.00 2.07 1.91 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.07 1.33 7.81 130 K 8.59 4.95 0.00 1.67 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.50 7.81 131 Y 9.37 4.95 0.00 2.97 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 0.00 132 T 9.02 5.06 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 1.27 0.00 0.00 133 V 8.58 3.37 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 0.86 0.00 0.00 1.09 0.00 0.00 134 E 8.09 3.86 0.00 2.00 1.97 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 2.32 2.37 0.00 135 D 7.78 4.29 0.00 3.01 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 0.00 136 V 7.42 3.31 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 0.78 0.00 0.00 0.52 0.00 0.00 137 I 7.23 3.22 1.66 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.21 0.66 0.00 0.00 138 K 7.69 3.96 0.00 1.93 1.96 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.48 7.81 139 K 8.13 3.89 0.00 1.78 1.71 0.00 1.43 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.38 1.58 7.81 140 L 7.52 4.63 0.00 1.75 1.71 1.10 0.67 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 0.00 141 E 7.97 4.26 0.00 1.97 1.97 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 2.28 2.60 0.00 142 S 8.07 4.67 0.00 3.93 3.80 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 0.00 143 S 7.18 5.22 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.94 4.78 0.00 2.89 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 0.00 145 V 7.16 4.38 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 0.74 0.00 0.00 0.90 0.00 0.00 146 P 0.00 4.28 0.00 1.83 1.80 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.19 0.00 147 L 8.12 5.06 0.00 1.44 1.55 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 148 C 9.26 4.26 0.00 3.13 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 0.00 149 D 9.90 4.58 0.00 2.84 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 0.00 150 D 8.41 4.60 0.00 2.74 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 0.00 151 C 7.86 4.67 0.00 3.09 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 0.00 152 N 8.16 5.42 0.00 2.86 2.92 0.00 0.00 7.34 7.63 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 0.00 153 S 7.32 4.72 0.00 3.72 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 0.00 154 L 8.55 4.32 0.00 1.80 1.66 1.06 0.93 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 0.00 155 I 8.58 4.97 1.88 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.99 0.00 0.00 156 R 8.98 5.19 0.00 1.19 2.14 0.00 2.91 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 157 P 0.00 3.43 0.00 1.75 1.89 0.00 2.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 158 N 8.40 4.97 0.00 3.07 2.86 0.00 0.00 6.86 7.76 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 0.00 159 I 7.12 4.87 1.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.04 0.76 0.00 0.00 160 V 8.16 4.11 1.91 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 0.67 0.00 0.00 0.96 0.00 0.00 161 F 9.61 4.47 0.00 2.99 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 0.00 162 F 9.16 4.20 0.00 3.15 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 0.00 163 G 9.35 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 7.66 4.79 0.00 2.19 1.91 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 2.34 2.35 0.00 165 N 8.46 4.64 0.00 2.72 2.77 0.00 0.00 6.98 7.85 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 0.00 166 L 8.29 4.26 0.00 1.62 1.60 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.38 0.00 2.20 2.17 0.00 3.83 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 2.06 1.98 0.00 168 Q 8.78 3.91 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 169 D 8.18 4.38 0.00 2.67 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 0.00 170 A 7.86 3.96 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 0.00 171 L 7.85 3.89 0.00 1.86 1.71 0.90 0.90 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 0.00 172 R 8.49 3.86 0.00 1.98 2.09 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 173 E 8.33 3.92 0.00 2.21 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 2.29 2.31 0.00 174 A 8.02 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.00 3.76 1.99 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 1.44 0.90 0.90 0.00 0.00 176 G 8.38 3.63 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 0.00 0.00 0.00 177 L 8.27 4.02 0.00 1.72 1.71 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.25 4.17 0.00 3.84 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 0.00 179 S 7.88 4.23 0.00 4.04 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 0.00 180 R 7.55 4.11 0.00 1.74 2.02 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 181 A 7.73 4.27 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 0.00 182 S 8.81 4.74 0.00 3.90 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 0.00 183 L 7.57 4.96 0.00 1.75 1.50 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 184 M 9.38 5.18 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 185 I 8.81 4.93 1.93 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.93 0.00 0.00 186 V 8.74 4.51 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 0.94 0.00 0.00 0.86 0.00 0.00 187 L 9.04 4.77 0.00 1.51 1.48 0.94 0.56 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 0.00 188 G 9.33 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 0.00 0.00 0.00 0.00 189 S 7.98 4.85 0.00 3.77 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 0.00 190 S 8.84 4.23 0.00 4.06 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.52 3.60 0.00 1.97 1.93 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.44 4.52 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 0.83 0.00 0.00 0.99 0.00 0.00 193 V 7.50 4.40 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 1.12 0.00 0.00 1.00 0.00 0.00 194 Y 8.50 4.94 0.00 3.01 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 0.00 195 P 0.00 4.76 0.00 2.26 2.36 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 196 A 8.03 3.86 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 0.00 197 A 7.49 3.65 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 7.80 4.03 0.00 2.22 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 2.55 2.71 0.00 199 L 7.76 3.92 0.00 1.62 1.63 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.16 0.00 1.64 1.89 0.00 3.26 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 201 L 7.32 3.94 0.00 1.61 1.83 1.08 1.18 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 0.00 202 I 7.78 3.68 2.00 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 1.52 1.06 0.89 0.00 0.00 203 T 7.64 4.29 4.34 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 1.20 0.00 0.00 204 V 7.53 4.21 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 1.44 0.00 0.00 0.98 0.00 0.00 205 R 8.17 4.07 0.00 1.86 1.99 0.00 3.39 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 206 S 7.47 4.56 0.00 4.01 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 0.00 207 G 7.92 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 0.00 208 G 8.00 3.95 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 0.00 0.00 0.00 209 K 8.80 4.99 0.00 1.72 1.76 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81 210 L 8.28 5.25 0.00 1.72 1.48 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 211 V 9.03 4.94 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.21 0.00 0.00 212 I 8.76 4.78 1.87 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 1.11 0.55 0.90 0.00 0.00 213 V 8.72 4.58 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 0.33 0.00 0.00 -0.36 0.00 0.00 214 N 8.62 4.84 0.00 2.75 2.56 0.00 0.00 6.92 6.80 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 0.00 215 L 8.68 4.71 0.00 1.58 1.63 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.10 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 E 8.10 4.56 0.00 1.97 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 2.30 2.29 0.00 218 T 8.56 4.77 4.45 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 1.30 0.00 0.00 219 P 0.00 4.21 0.00 1.42 1.86 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 220 F 7.68 4.92 0.00 3.12 3.03 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 0.00 221 D 8.25 4.51 0.00 2.72 2.73 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 0.00 222 D 8.10 4.49 0.00 2.79 2.79 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 0.00 223 I 7.51 4.18 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 1.00 0.00 0.00 224 A 7.40 4.26 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 0.00 225 T 9.01 4.24 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 1.25 0.00 0.00 226 L 7.82 4.78 0.00 1.70 1.50 1.22 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.44 4.80 0.00 1.65 1.56 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.44 7.81 228 Y 9.24 4.28 0.00 2.58 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 0.00 229 N 8.85 5.94 0.00 2.72 2.75 0.00 0.00 7.17 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 0.00 230 M 7.79 4.65 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 231 D 8.57 4.44 0.00 2.79 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 0.00 232 V 8.46 3.69 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 0.72 0.00 0.00 0.94 0.00 0.00 233 V 7.84 3.63 2.33 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 0.90 0.00 0.00 0.96 0.00 0.00 234 E 8.64 4.08 0.00 2.15 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 0.00 2.33 2.38 0.00 235 F 8.34 3.94 0.00 3.07 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 0.00 236 A 8.51 3.80 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 R 8.38 3.76 0.00 1.89 2.06 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 238 R 7.99 3.83 0.00 1.82 1.80 0.00 3.30 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 239 V 7.60 3.39 1.91 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 1.07 0.00 0.00 0.01 0.00 0.00 240 M 7.89 4.05 0.00 2.10 2.17 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 2.72 2.51 0.00 241 E 8.02 3.90 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 242 E 8.31 4.35 0.00 2.03 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 0.00 2.40 2.45 0.00 243 G 7.59 4.08 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 0.00 0.00 0.00 244 G 8.19 4.03 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 0.00 0.00 0.00 245 I 7.94 3.85 1.85 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 1.41 0.44 0.91 0.00 0.00 246 S 7.68 4.17 0.00 3.80 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.