NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3269 8.1749 110.9388 60.9967 70.2693 173.3656 3 R 3.9627 8.2886 122.2365 56.1877 31.1939 174.1727 4 R 5.0850 8.7162 121.3237 54.4758 33.7852 175.0799 5 V 4.2614 8.6986 122.7038 61.1469 33.3739 175.0978 6 K 4.5671 8.6067 128.4612 56.0434 32.5641 177.3177 7 T 4.0786 9.3043 115.9262 62.7001 69.0139 176.2850 8 G 3.8287 8.3389 108.7337 45.2248 0.0000 173.3497 9 I 3.7413 7.3171 121.7008 59.8351 37.3709 173.5919 10 P 4.2016 0.0000 0.0000 64.3904 31.7138 176.2178 11 G 4.1224 8.6033 110.3837 47.2851 0.0000 175.8863 12 V 3.5400 7.8547 118.7961 66.2207 31.5584 178.0095 13 D 4.3900 8.0193 117.9361 57.0324 40.5841 178.6023 14 E 3.9342 8.0567 118.9148 59.6275 29.5760 179.1872 15 I 3.7727 7.9579 119.7494 63.8530 36.5300 177.3993 16 L 4.5644 7.9872 118.3812 53.5720 41.9054 176.3340 17 H 3.8831 9.2433 115.0273 56.9094 26.7826 174.5894 18 G 3.6173 9.0895 111.1267 45.7787 0.0000 173.6596 19 G 3.9528 7.0134 103.8277 42.8781 0.0000 172.9299 20 I 3.8424 8.2307 121.3340 60.1342 37.5348 174.4978 21 P 4.6196 0.0000 0.0000 62.2735 31.6948 175.3289 22 E 4.0180 8.5984 124.0338 58.2484 29.7666 177.5761 23 R 4.9391 8.8757 122.8907 56.9364 29.1042 176.3955 24 N 4.6107 7.9854 116.3820 53.2575 40.1457 174.1599 25 V 4.1891 8.7452 122.6105 61.2618 33.6276 174.4483 26 V 4.4738 8.6343 129.4831 60.9498 33.6256 174.2098 27 L 4.6256 8.8975 131.4016 54.5559 43.3616 175.1592 28 L 4.8101 8.9625 130.2482 53.8354 43.1523 174.7081 29 S 5.2517 9.0442 122.1986 55.8512 65.1555 173.2744 30 G 4.3405 7.8445 115.0572 46.1079 0.0000 172.8150 31 G 4.8071 8.3983 108.4460 44.4536 0.0000 171.3860 32 P 4.4231 0.0000 0.0000 63.8310 31.7316 176.3187 33 G 3.9307 8.8310 108.9984 46.9372 0.0000 174.1704 34 T 4.2729 8.1356 108.1823 61.4748 69.6853 175.3248 35 G 4.1512 8.3248 111.0042 46.1331 0.0000 175.6252 36 K 3.9598 8.2653 121.2821 59.4670 32.0477 179.3254 37 T 4.1704 7.9446 115.4919 66.8197 68.5338 176.6396 38 I 3.7456 7.8886 121.2533 64.2781 37.1608 178.0586 39 F 3.9603 8.3286 121.6827 61.4194 39.1434 177.4315 40 S 4.4540 8.4837 113.8490 61.6069 62.7353 176.4048 41 Q 4.1320 8.2933 121.7621 58.6469 28.4944 178.1311 42 Q 2.6911 7.7819 120.7062 58.5530 28.4302 178.0707 43 F 4.0704 8.0229 121.7685 61.1644 39.4222 177.1920 44 L 3.7113 7.6689 118.7482 57.1268 41.5037 179.1206 45 W 3.7741 8.1493 128.6725 60.5693 30.1956 177.6807 46 N 4.1271 8.0257 116.4725 56.0807 37.7936 177.5977 47 G 3.3253 7.1817 106.1945 47.5941 0.0000 175.4976 48 L 3.6003 7.1492 121.7368 57.3882 41.3305 179.9228 49 K 4.0041 6.9072 116.1546 58.6612 31.9296 178.0973 50 M 4.4191 7.1029 116.3242 54.3793 32.4078 176.6229 51 G 3.7604 8.1940 107.7113 45.4756 0.0000 173.1979 52 E 4.4382 7.9635 119.7888 53.7306 30.3640 174.4937 53 P 5.0747 0.0000 0.0000 62.2857 32.8844 175.9340 54 G 4.4769 8.6590 109.2007 44.5008 0.0000 171.1578 55 I 4.6773 8.6756 120.7740 59.2111 41.3631 173.8753 56 Y 4.8667 8.4128 128.0518 55.8760 40.9994 174.7169 57 V 4.2111 8.8415 128.9397 61.6344 32.8068 174.5740 58 A 4.7588 8.7731 131.6965 51.2103 19.5680 177.0447 59 L 5.0659 9.3582 121.5360 54.8025 42.9882 177.3141 60 E 4.7036 8.4806 117.1440 56.7037 31.5193 175.4244 61 E 3.5806 7.2798 115.4048 53.2402 33.9415 174.6761 62 H 4.3528 7.7018 119.2749 55.3284 31.8172 174.3644 63 P 4.3018 0.0000 0.0000 65.8990 31.1049 179.0594 64 V 3.6526 8.1131 116.4459 66.3078 31.4898 178.0324 65 Q 4.0343 8.0672 117.2461 58.7677 28.6294 178.5311 66 V 3.5850 7.7527 119.4688 65.9992 31.5190 178.3599 67 R 3.9403 8.2883 117.9931 59.2359 29.6832 179.0162 68 Q 3.9539 7.6564 116.3029 59.1736 28.5301 178.4000 69 N 4.4240 8.5434 117.8234 56.5618 38.5479 177.4884 70 M 4.3103 8.3141 119.9763 58.3453 32.0809 178.5674 71 A 3.8524 8.0019 120.9333 55.1425 18.3013 179.1950 72 Q 3.8830 7.3818 113.4729 57.3587 28.8521 177.3674 73 F 4.2537 7.3639 117.6565 56.5366 39.4127 176.2753 74 G 3.6590 7.3614 107.1740 44.9174 0.0000 174.5225 75 W 2.5400 6.6313 120.2750 53.7870 28.3551 172.9974 76 D 4.5919 7.6141 119.4313 53.1753 40.5074 177.1296 77 V 4.1257 8.2936 120.8157 62.7882 31.7415 178.0970 78 K 3.9201 8.2740 119.3533 59.5410 31.8059 176.9028 79 P 4.2354 0.0000 0.0000 66.0614 31.1066 178.2563 80 Y 4.0118 7.8678 114.9099 60.9172 37.9485 177.7028 81 E 4.3745 8.7877 120.0463 59.4691 29.3564 179.0786 82 E 4.1809 8.2547 117.5754 58.2758 29.6493 178.2717 83 K 4.4254 7.4178 116.3126 55.3018 32.6059 176.6269 84 G 3.9699 7.9666 107.6359 47.2089 0.0000 174.8772 85 M 4.7870 8.4038 118.7011 54.8694 34.0075 175.5564 86 F 5.3896 8.1982 119.2316 56.8120 43.3277 173.1873 87 A 4.7846 7.1795 122.8538 50.9592 22.9380 174.9577 88 M 5.1449 8.7944 120.2212 53.5479 34.8275 175.3507 89 V 4.2074 8.5528 123.9365 61.3521 33.8051 174.3643 90 D 5.0767 9.4316 128.9993 53.0513 41.0141 175.5516 91 A 4.8470 8.6407 128.1378 51.8028 19.6702 176.6709 92 F 4.6816 8.7226 120.6094 62.2600 41.0834 177.6599 93 T 3.6327 8.6408 117.2398 66.9608 68.0657 176.1081 94 A 4.1235 8.1107 120.1945 55.1705 18.3541 179.4391 95 G 3.6817 8.0594 104.1321 46.6931 0.0000 173.7431 96 I 4.5131 7.2067 114.0914 60.5756 37.8118 176.0333 97 G 3.6253 7.9078 108.5337 46.9222 0.0000 170.8786 *103 E 4.0278 8.0142 120.3265 55.8211 30.6373 175.1926 104 K 3.6739 8.8626 127.9927 58.9305 32.4881 175.7245 105 Y 4.7953 7.7462 116.5581 56.2186 40.2454 175.0881 106 I 5.0173 8.3332 124.2358 59.4263 41.4835 175.1639 107 V 4.2710 8.5776 126.5888 61.6108 32.0259 175.2412 108 H 4.4676 9.2362 126.3283 57.8802 29.0948 175.6201 109 D 4.6953 8.8227 118.6480 52.7767 43.4944 174.5944 110 L 4.7384 8.5164 125.2282 54.9241 42.3056 177.4049 111 T 4.0288 8.8414 118.4700 66.2782 68.4325 174.1268 112 D 5.0308 7.6680 117.4843 52.0576 44.3993 176.2775 113 I 4.0156 8.1001 118.9755 61.8119 38.1279 177.5646 114 R 3.8897 7.8853 119.3148 60.5736 30.0507 177.7748 115 E 4.0273 8.2126 118.3828 58.8862 29.6204 178.3424 116 F 4.0003 8.2452 120.5270 61.2454 39.5573 176.9704 117 I 3.8105 8.0278 119.2953 64.5293 36.9678 177.9935 118 E 3.9613 8.2107 119.3718 59.7885 29.3798 179.9039 119 V 3.6148 7.8492 117.8941 65.7485 31.4972 177.8366 120 L 3.7290 7.9465 120.2506 58.1096 41.9968 179.0852 121 R 3.8912 8.4240 118.4331 59.2907 29.9555 179.0498 122 Q 3.9802 8.0090 117.5325 59.0518 28.6559 178.7914 123 A 3.5363 7.8447 121.6393 54.8016 18.2109 179.7187 124 I 3.5554 7.7812 118.6845 64.6174 36.8778 178.9498 125 R 3.9639 7.9063 116.7037 59.2029 29.0740 178.3573 126 D 4.5249 7.9848 119.2590 56.4459 40.9635 177.3823 127 I 4.4230 7.1026 108.2002 58.9120 38.4693 174.9329 128 N 4.0718 7.7135 115.4414 54.3486 36.1128 174.5847 129 A 4.3017 7.9670 119.8217 52.6368 19.6563 177.9810 130 K 4.5550 9.3833 118.9647 56.3709 35.8721 176.5462 131 R 5.5660 7.8087 117.8992 53.3353 33.5752 175.1590 132 V 5.0072 8.5255 121.8526 61.1874 35.7053 174.0225 133 V 5.0081 9.0661 126.0624 61.1836 35.1079 174.1097 134 V 4.3548 8.7454 127.9319 61.3666 33.6452 173.8335 135 D 5.0446 8.8776 129.6455 52.2709 42.7042 174.4220 136 S 5.1804 9.1398 119.6460 55.4337 66.0440 175.4950 137 V 3.3954 8.2772 121.1176 65.0346 30.9873 178.6693 138 T 3.0823 7.6321 115.9559 66.6573 68.0788 176.3294 139 T 3.8099 7.0087 114.9361 66.1786 68.4520 176.1668 140 L 4.0923 7.0238 120.0542 56.7072 41.7399 177.8161 141 Y 4.7951 6.9410 114.0269 57.2377 39.8684 176.4994 142 I 3.6177 7.7306 121.9707 63.8291 38.0910 176.0937 143 N 5.0073 8.0712 115.4538 52.7354 39.5726 175.5629 144 K 4.7291 8.6977 117.2592 54.5065 33.6360 175.6809 145 P 4.3134 0.0000 0.0000 65.8514 31.7501 178.9663 146 A 4.0591 7.8927 119.9810 54.3048 18.6311 177.6071 147 M 4.2394 8.4090 114.8246 55.7810 32.8861 178.0990 148 A 3.1086 7.7025 122.1263 54.9117 18.3127 179.1701 149 R 3.7374 7.8462 116.5586 60.0206 29.9371 178.6368 150 S 4.1195 7.9190 113.0593 61.3405 63.0632 176.2871 151 I 3.6597 7.7287 123.4450 64.2653 36.8959 178.4548 152 I 3.8742 8.1059 121.0534 64.5159 36.9836 178.6102 153 L 4.1079 8.1842 119.8814 57.6364 41.3793 179.6639 154 Q 4.0299 8.4208 118.4726 58.8799 28.6506 178.5326 155 L 4.0983 8.0318 120.0794 57.6172 41.5978 179.3364 156 K 3.9023 8.2976 119.6334 59.5954 32.0693 178.7632 157 R 3.8710 7.8845 118.3815 59.3291 29.8886 178.6038 158 V 3.5948 7.8318 118.0009 66.0187 31.5311 178.0178 159 L 3.9957 8.3238 118.7472 57.9146 41.5610 179.4884 160 A 4.1400 8.4442 121.2176 55.0122 18.0842 179.9016 161 G 3.7000 8.2736 103.6723 47.0761 0.0000 174.9660 162 T 4.5504 7.3011 110.1061 61.0319 69.1170 175.1465 163 G 3.8661 7.8322 108.2480 46.6215 0.0000 173.6716 164 C 4.7921 8.2602 117.5311 58.8920 30.6125 172.7835 165 T 4.8279 8.9521 118.3740 62.1028 70.8078 173.6198 166 S 5.4559 8.8014 121.5430 56.7174 67.8942 172.9205 167 I 4.7361 8.5263 121.3876 59.5995 40.2506 174.7879 168 F 5.2125 9.1342 126.3374 55.6868 41.0450 175.1715 169 V 4.1814 8.5637 125.6516 62.6650 32.6973 174.6014 170 S 4.8851 9.2397 123.3501 56.6055 64.6065 172.5830 171 Q 4.4562 8.8622 127.5138 55.2305 29.5403 175.7084 172 V 4.6398 8.2422 123.8391 60.7591 34.9398 175.0848 173 S 4.6223 8.5202 120.4834 57.4130 63.9960 173.8108 174 V 3.4901 8.1706 122.0317 65.0276 31.8233 174.6636 175 G 4.3087 8.9832 118.2250 45.7686 0.0000 173.8045 176 E 3.9316 7.2719 120.2334 55.9459 29.8334 176.4110 177 R 4.1533 8.4302 124.4017 56.0204 30.1831 176.4271 178 G 3.5410 7.5409 107.8078 45.7877 0.0000 173.3629 179 F 5.4223 8.2294 115.2127 55.6018 40.5501 177.7914 180 G 5.0359 8.5242 121.0280 45.3418 0.0000 170.6783 181 G 3.6392 7.3139 105.2563 43.1298 0.0000 171.1780 182 P 4.3184 0.0000 0.0000 64.0457 31.8015 176.0333 183 G 4.4098 9.3293 115.0653 46.4691 0.0000 175.8837 184 V 3.5973 7.6184 119.7294 64.6892 31.2001 178.2255 185 E 4.0180 7.6664 116.0426 58.3547 29.4065 177.9471 186 H 4.6478 7.9603 116.1786 57.9373 29.3542 177.1465 187 G 3.7532 8.5006 107.2276 46.3733 0.0000 174.6345 188 V 3.9431 6.7538 113.5589 61.0373 32.5290 175.8038 189 D 4.5570 8.5245 121.3396 56.4360 42.0816 176.8383 190 G 4.4404 7.7283 103.5266 44.5747 0.0000 171.8498 191 I 4.9658 9.0333 121.1061 59.4742 41.2566 174.4350 192 I 4.7894 8.7728 128.6445 59.3849 40.0673 174.5167 193 R 4.9543 8.9167 128.1356 54.7369 32.0763 174.6275 194 L 5.3596 8.7561 126.5019 53.2277 43.7107 175.6299 195 D 5.1322 9.7684 123.4968 52.4958 44.8981 175.4257 196 L 4.7025 8.4470 121.9851 53.8919 44.2429 174.6211 197 D 5.0295 8.8828 126.3418 52.1743 44.1518 175.2100 198 E 4.7142 8.7854 124.1668 55.5130 30.5685 175.6643 199 I 4.3356 8.9198 128.7524 60.3817 40.0380 175.5316 200 D 4.5068 9.6451 127.3246 55.6496 37.8312 174.2130 201 G 3.9606 8.1300 101.2303 45.9465 0.0000 171.7388 202 E 4.6781 7.7859 119.7119 54.0161 33.0942 174.4259 203 L 4.7637 8.6257 126.8243 54.3043 42.9147 176.2569 204 K 4.6210 9.0957 123.2389 54.5993 35.5676 175.5896 205 R 4.9199 8.3040 123.2260 55.4871 32.0448 175.4560 206 S 5.0021 8.5814 115.5387 57.3499 66.9329 172.8332 207 L 5.5005 9.6171 123.4850 53.6576 45.4427 175.0092 208 I 4.8674 8.6839 124.1984 59.7149 41.9953 173.9616 209 V 4.1860 8.4721 129.7034 61.6850 30.6960 174.9677 210 W 4.0390 8.8795 135.0000 59.7274 31.4192 176.2465 211 K 4.5024 7.6679 118.7395 55.7300 35.1021 174.8311 212 M 4.6971 8.3606 124.0863 54.8265 33.9635 173.5257 213 R 4.0202 8.8397 125.4186 57.5054 30.8281 177.6588 214 G 3.8919 9.9728 109.3075 45.2658 0.0000 172.7115 215 T 4.1170 6.8610 110.6919 61.2915 70.7002 172.7814 216 S 4.5020 8.5340 121.1866 58.0016 64.4481 172.2875 217 H 4.0429 7.5403 114.4237 54.3151 30.3212 173.4725 218 S 4.1884 8.6037 115.5664 59.2006 62.4932 173.7129 219 M 4.4571 8.5572 124.8377 55.1048 32.1994 175.8333 220 R 4.4466 7.6477 118.0011 54.4316 32.5092 175.7852 221 R 4.5212 8.1997 120.5072 55.9649 31.3606 174.5050 222 H 5.5653 8.9824 124.7026 53.5676 31.2060 173.3241 223 P 5.2361 0.0000 0.0000 62.5041 32.9553 174.7516 224 F 5.5588 8.3052 114.2006 56.1701 41.0249 172.8329 225 D 5.1646 9.2176 118.3685 52.7080 45.0004 174.7911 226 I 4.9395 8.5339 121.7568 60.2362 38.7284 175.1829 227 T 4.9769 9.0316 118.9562 60.1440 71.2090 173.9290 228 D 4.4022 8.8039 119.3351 56.9372 41.0745 177.2266 229 K 4.3977 7.8134 116.6137 55.7718 32.9569 175.3806 230 G 3.9836 7.5145 104.7500 44.1247 0.0000 172.9737 231 I 4.8985 9.1620 121.9279 60.5719 39.1565 176.0601 232 I 4.4026 8.4581 125.0565 59.7892 40.7449 174.4672 233 V 4.3452 8.6246 127.8082 61.5654 34.0399 174.7559 234 Y 4.7968 8.3968 125.0056 55.5143 37.3931 174.7366 235 P 4.0624 0.0000 0.0000 65.0631 31.8927 177.3998 236 D 4.7745 8.1952 116.0832 54.4004 41.2003 175.4509 237 K 5.3370 8.0737 118.6707 54.5093 35.7027 175.8962 238 V 4.7308 8.7061 121.0385 59.9781 35.3757 174.0291 239 L 4.8102 8.6028 124.6021 53.7185 43.0796 176.6506 240 K 4.4754 8.7659 126.9412 55.4199 32.4476 175.7959 241 R 3.8160 8.6020 119.4606 54.2137 28.9464 176.9292 242 G 4.4342 7.5954 110.5275 45.5741 0.0000 172.5191 243 K 4.6724 8.0276 122.0685 56.9063 33.6832 176.6574 244 V 4.6044 8.4884 115.1350 59.7270 36.4635 174.3013 245 L 4.4051 8.5493 123.6756 55.5419 42.5576 176.8667 246 E 4.0827 9.1965 122.3677 56.8673 31.1359 174.0611 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 T 8.17 4.33 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 1.21 0.00 0.00 3 R 8.29 3.96 0.00 1.87 1.88 0.00 3.07 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 4 R 8.72 5.09 0.00 1.66 1.86 0.00 3.54 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 5 V 8.70 4.26 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 1.03 0.00 0.00 0.99 0.00 0.00 6 K 8.61 4.57 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.34 7.81 7 T 9.30 4.08 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 1.33 0.00 0.00 8 G 8.34 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 0.00 0.00 0.00 9 I 7.32 3.74 1.52 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 0.87 0.47 0.58 0.00 0.00 10 P 0.00 4.20 0.00 2.05 1.97 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 11 G 8.60 4.12 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 0.00 0.00 0.00 12 V 7.85 3.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.90 0.00 0.00 13 D 8.02 4.39 0.00 2.71 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 14 E 8.06 3.93 0.00 2.27 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 2.40 2.46 0.00 15 I 7.96 3.77 2.08 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 1.42 0.63 0.94 0.00 0.00 16 L 7.99 4.56 0.00 1.74 1.78 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 17 H 9.24 3.88 0.00 3.40 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 9.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.01 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 20 I 8.23 3.84 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.87 0.00 0.00 21 P 0.00 4.62 0.00 2.30 1.98 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 2.26 2.07 0.00 22 E 8.60 4.02 0.00 1.99 1.89 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 2.33 2.32 0.00 23 R 8.88 4.94 0.00 1.99 2.09 0.00 3.35 0.00 0.00 3.07 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 24 N 7.99 4.61 0.00 2.86 2.64 0.00 0.00 6.44 6.98 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 25 V 8.75 4.19 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 -0.06 0.00 0.00 0.60 0.00 0.00 26 V 8.63 4.47 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 0.50 0.00 0.00 0.78 0.00 0.00 27 L 8.90 4.63 0.00 1.71 1.49 1.05 0.42 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 28 L 8.96 4.81 0.00 1.55 1.42 0.13 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.04 5.25 0.00 3.98 3.71 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 30 G 7.84 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 0.00 0.00 0.00 0.00 31 G 8.40 4.81 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 0.00 0.00 0.00 32 P 0.00 4.42 0.00 2.22 2.09 0.00 3.87 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 2.01 1.98 0.00 33 G 8.83 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 34 T 8.14 4.27 4.38 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 1.36 0.00 0.00 35 G 8.32 4.15 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 0.00 0.00 0.00 36 K 8.27 3.96 0.00 1.86 1.87 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.56 7.81 37 T 7.94 4.17 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 1.38 0.00 0.00 38 I 7.89 3.75 1.93 0.00 0.00 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 1.47 0.78 0.62 0.00 0.00 39 F 8.33 3.96 0.00 3.17 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 40 S 8.48 4.45 0.00 4.31 4.35 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 41 Q 8.29 4.13 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.58 0.00 42 Q 7.78 2.69 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.00 1.72 0.00 43 F 8.02 4.07 0.00 3.07 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 44 L 7.67 3.71 0.00 1.96 1.92 1.39 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 45 W 8.15 3.77 0.00 2.82 2.42 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 46 N 8.03 4.13 0.00 2.68 2.68 0.00 0.00 6.98 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.18 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.15 3.60 0.00 0.56 0.13 0.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 K 6.91 4.00 0.00 1.53 1.68 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 3.51 0.00 0.00 0.00 0.00 1.21 0.63 7.81 50 M 7.10 4.42 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 51 G 8.19 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.96 4.44 0.00 1.79 1.79 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 2.19 2.18 0.00 53 P 0.00 5.07 0.00 2.11 2.10 0.00 3.77 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 2.25 1.94 0.00 54 G 8.66 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.68 4.68 1.72 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.54 0.72 0.00 0.00 56 Y 8.41 4.87 0.00 3.20 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 57 V 8.84 4.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.77 0.00 0.00 58 A 8.77 4.76 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 9.36 5.07 0.00 1.68 1.73 1.10 0.99 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 60 E 8.48 4.70 0.00 1.97 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 2.45 2.28 0.00 61 E 7.28 3.58 0.00 1.69 1.52 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 2.11 2.24 0.00 62 H 7.70 4.35 0.00 3.40 3.41 0.00 5.61 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 63 P 0.00 4.30 0.00 2.41 2.19 0.00 3.06 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 2.11 2.21 0.00 64 V 8.11 3.65 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 1.10 0.00 0.00 1.04 0.00 0.00 65 Q 8.07 4.03 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 66 V 7.75 3.58 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 0.56 0.00 0.00 1.04 0.00 0.00 67 R 8.29 3.94 0.00 2.05 1.99 0.00 3.25 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 68 Q 7.66 3.95 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 69 N 8.54 4.42 0.00 2.72 2.93 0.00 0.00 7.10 7.35 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 70 M 8.31 4.31 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 71 A 8.00 3.85 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 72 Q 7.38 3.88 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.42 0.00 73 F 7.36 4.25 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.36 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 75 W 6.63 2.54 0.00 3.07 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 0.00 0.00 0.00 76 D 7.61 4.59 0.00 2.63 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 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0.73 0.86 0.00 0.00 107 V 8.58 4.27 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 0.90 0.00 0.00 0.74 0.00 0.00 108 H 9.24 4.47 0.00 3.26 3.34 0.00 5.89 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 0.00 109 D 8.82 4.70 0.00 2.55 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 0.00 110 L 8.52 4.74 0.00 1.66 1.64 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.84 4.03 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 1.22 0.00 0.00 112 D 7.67 5.03 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 0.00 113 I 8.10 4.02 1.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.21 0.99 0.00 0.00 114 R 7.89 3.89 0.00 1.99 1.95 0.00 3.31 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 115 E 8.21 4.03 0.00 2.12 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 2.40 2.40 0.00 116 F 8.25 4.00 0.00 3.12 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 0.00 117 I 8.03 3.81 2.09 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 1.66 0.67 0.96 0.00 0.00 118 E 8.21 3.96 0.00 2.18 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 2.36 2.59 0.00 119 V 7.85 3.61 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 0.98 0.00 0.00 0.94 0.00 0.00 120 L 7.95 3.73 0.00 1.59 1.80 0.80 0.94 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 0.00 121 R 8.42 3.89 0.00 2.04 1.97 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 122 Q 8.01 3.98 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 123 A 7.84 3.54 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 0.00 124 I 7.78 3.56 1.98 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 1.50 0.87 0.88 0.00 0.00 125 R 7.91 3.96 0.00 2.07 2.18 0.00 2.80 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.68 0.00 126 D 7.98 4.52 0.00 3.01 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 0.00 127 I 7.10 4.42 2.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.08 0.95 0.00 0.00 128 N 7.71 4.07 0.00 2.92 2.90 0.00 0.00 6.86 7.23 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 0.00 129 A 7.97 4.30 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 0.00 130 K 9.38 4.56 0.00 1.52 1.75 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.48 7.81 131 R 7.81 5.57 0.00 1.52 1.53 0.00 2.65 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.00 132 V 8.53 5.01 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 1.08 0.00 0.00 0.92 0.00 0.00 133 V 9.07 5.01 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 0.88 0.00 0.00 1.30 0.00 0.00 134 V 8.75 4.35 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.00 0.00 0.00 135 D 8.88 5.04 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 9.14 5.18 0.00 4.01 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 0.00 137 V 8.28 3.40 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 0.82 0.00 0.00 0.23 0.00 0.00 138 T 7.63 3.08 4.11 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 0.00 0.00 1.15 0.00 0.00 139 T 7.01 3.81 4.27 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 1.17 0.00 0.00 140 L 7.02 4.09 0.00 1.36 1.48 0.18 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 6.94 4.80 0.00 3.31 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 0.00 142 I 7.73 3.62 1.94 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 1.42 0.84 0.86 0.00 0.00 143 N 8.07 5.01 0.00 2.72 2.78 0.00 0.00 6.69 7.61 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 0.00 144 K 8.70 4.73 0.00 1.89 1.74 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.39 7.81 145 P 0.00 4.31 0.00 2.19 2.33 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 146 A 7.89 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 8.41 4.24 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 148 A 7.70 3.11 0.41 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 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.85 3.74 0.00 1.81 1.90 0.00 3.15 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 150 S 7.92 4.12 0.00 4.07 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 0.00 151 I 7.73 3.66 2.11 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 1.49 0.76 0.88 0.00 0.00 152 I 8.11 3.87 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.17 1.05 0.00 0.00 153 L 8.18 4.11 0.00 1.69 1.72 0.91 0.68 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 0.00 154 Q 8.42 4.03 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 155 L 8.03 4.10 0.00 1.95 1.96 0.55 0.86 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 0.00 156 K 8.30 3.90 0.00 1.96 2.07 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.42 1.38 7.81 157 R 7.88 3.87 0.00 1.94 2.17 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 158 V 7.83 3.59 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 1.02 0.00 0.00 1.01 0.00 0.00 159 L 8.32 4.00 0.00 1.80 1.72 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.44 4.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.27 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 0.00 0.00 0.00 162 T 7.30 4.55 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 1.24 0.00 0.00 163 G 7.83 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 0.00 0.00 0.00 164 C 8.26 4.79 0.00 3.00 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 0.00 165 T 8.95 4.83 4.35 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 1.34 0.00 0.00 166 S 8.80 5.46 0.00 3.57 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 0.00 167 I 8.53 4.74 1.76 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.17 0.83 0.00 0.00 168 F 9.13 5.21 0.00 2.83 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 0.00 169 V 8.56 4.18 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 0.91 0.00 0.00 0.97 0.00 0.00 170 S 9.24 4.89 0.00 3.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 8.86 4.46 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.41 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 172 V 8.24 4.64 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 0.96 0.00 0.00 1.00 0.00 0.00 173 S 8.52 4.62 0.00 4.04 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 0.00 174 V 8.17 3.49 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 0.80 0.00 0.00 0.94 0.00 0.00 175 G 8.98 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 0.00 0.00 0.00 0.00 176 E 7.27 3.93 0.00 1.90 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 2.19 0.00 177 R 8.43 4.15 0.00 1.59 1.71 0.00 3.18 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 178 G 7.54 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 0.00 0.00 0.00 179 F 8.23 5.42 0.00 2.96 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 0.00 180 G 8.52 5.04 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 0.00 181 G 7.31 3.64 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 0.00 182 P 0.00 4.32 0.00 2.02 2.01 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 2.01 2.08 0.00 183 G 9.33 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.62 3.60 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 1.01 0.00 0.00 1.01 0.00 0.00 185 E 7.67 4.02 0.00 2.26 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 0.00 2.52 2.14 0.00 186 H 7.96 4.65 0.00 3.32 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.50 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 0.00 0.00 0.00 188 V 6.75 3.94 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 0.69 0.00 0.00 0.96 0.00 0.00 189 D 8.52 4.56 0.00 2.72 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 0.00 190 G 7.73 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 I 9.03 4.97 1.58 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.77 -0.06 0.00 0.00 192 I 8.77 4.79 1.60 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.68 0.72 0.00 0.00 193 R 8.92 4.95 0.00 2.04 1.96 0.00 3.40 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 194 L 8.76 5.36 0.00 1.61 1.80 0.88 0.95 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 0.00 195 D 9.77 5.13 0.00 2.61 2.75 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 0.00 196 L 8.45 4.70 0.00 1.58 1.54 0.88 1.19 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 0.00 197 D 8.88 5.03 0.00 2.63 2.52 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 0.00 198 E 8.79 4.71 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 199 I 8.92 4.34 1.87 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 1.31 1.16 0.91 0.00 0.00 200 D 9.65 4.51 0.00 2.79 2.69 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 0.00 201 G 8.13 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 0.00 202 E 7.79 4.68 0.00 1.99 1.89 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 2.18 2.26 0.00 203 L 8.63 4.76 0.00 1.56 1.57 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 204 K 9.10 4.62 0.00 1.62 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.36 7.81 205 R 8.30 4.92 0.00 1.20 0.66 0.00 2.81 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 206 S 8.58 5.00 0.00 4.07 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 0.00 207 L 9.62 5.50 0.00 1.81 1.72 0.91 0.97 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 0.00 208 I 8.68 4.87 2.04 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 1.16 1.55 1.33 0.00 0.00 209 V 8.47 4.19 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 0.46 0.00 0.00 0.91 0.00 0.00 210 W 8.88 4.04 0.00 3.35 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 0.00 211 K 7.67 4.50 0.00 1.90 1.53 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.44 7.81 212 M 8.36 4.70 0.00 2.05 1.71 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 213 R 8.84 4.02 0.00 1.79 1.84 0.00 3.37 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 214 G 9.97 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 0.00 215 T 6.86 4.12 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 216 S 8.53 4.50 0.00 4.03 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 0.00 217 H 7.54 4.04 0.00 3.22 3.17 0.00 5.73 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 0.00 218 S 8.60 4.19 0.00 3.93 3.90 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 0.00 219 M 8.56 4.46 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 220 R 7.65 4.45 0.00 1.61 1.73 0.00 3.30 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 221 R 8.20 4.52 0.00 1.94 1.84 0.00 3.21 0.00 0.00 3.41 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 222 H 8.98 5.57 0.00 3.26 3.46 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 P 0.00 5.24 0.00 2.24 2.25 0.00 4.21 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 2.32 1.89 0.00 224 F 8.31 5.56 0.00 3.16 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 0.00 225 D 9.22 5.16 0.00 2.83 2.69 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 0.00 226 I 8.53 4.94 2.02 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 1.73 0.86 1.09 0.00 0.00 227 T 9.03 4.98 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 1.32 0.00 0.00 228 D 8.80 4.40 0.00 2.66 2.69 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 0.00 229 K 7.81 4.40 0.00 1.83 1.92 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.55 7.81 230 G 7.51 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 0.00 231 I 9.16 4.90 1.81 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 1.39 0.68 0.73 0.00 0.00 232 I 8.46 4.40 1.78 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 1.07 1.29 0.50 0.00 0.00 233 V 8.62 4.35 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 1.11 0.00 0.00 0.84 0.00 0.00 234 Y 8.40 4.80 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 P 0.00 4.06 0.00 2.04 2.06 0.00 3.72 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 2.01 2.20 0.00 236 D 8.20 4.77 0.00 2.78 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 0.00 237 K 8.07 5.34 0.00 1.74 1.72 0.00 1.43 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.36 1.39 7.81 238 V 8.71 4.73 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 0.79 0.00 0.00 0.98 0.00 0.00 239 L 8.60 4.81 0.00 1.69 1.65 0.98 0.47 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 0.00 240 K 8.77 4.48 0.00 1.72 1.69 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.34 7.81 241 R 8.60 3.82 0.00 2.02 2.05 0.00 3.34 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 242 G 7.60 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 K 8.03 4.67 0.00 1.76 1.82 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.45 7.81 244 V 8.49 4.60 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 0.72 0.00 0.00 1.00 0.00 0.00 245 L 8.55 4.41 0.00 1.54 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 246 E 9.20 4.08 0.00 2.04 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 2.23 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.