NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 N 4.6740 8.4093 119.2040 52.8794 40.1260 174.2311 46 P 4.3418 0.0000 0.0000 62.0243 32.8338 175.2304 47 L 4.2163 8.9155 120.0554 57.5179 43.5825 178.5839 48 V 4.7315 8.2644 117.8042 60.9112 34.0186 175.7108 49 S 4.5041 8.7777 123.4498 57.5346 64.4883 173.2546 50 E 4.2119 8.4280 119.9085 55.7204 30.4532 176.9019 51 R 4.0561 8.3263 121.6900 56.6213 30.4317 175.4964 52 L 5.0119 9.0852 126.4712 52.4841 45.6143 176.1818 53 E 4.3497 8.7847 120.6283 56.2522 30.3556 178.0003 54 L 3.9448 8.6875 124.0773 58.4912 42.0191 179.4456 55 S 4.5203 8.2349 113.0685 60.9212 62.7420 176.4918 56 V 3.7741 7.9018 116.4501 64.2355 31.0837 178.1741 57 L 4.0198 8.0374 119.0335 57.8104 41.2079 178.7303 58 Y 4.2674 7.8338 116.5850 61.2257 37.5642 178.8592 59 K 4.1887 7.9339 117.8714 58.4362 32.2172 177.5101 60 E 4.2026 8.0231 117.2359 56.2695 29.8820 175.4601 61 Y 4.5923 7.3580 115.9999 55.3898 41.6484 175.3894 62 A 4.2308 8.5916 127.3835 52.6736 19.2566 179.3177 63 E 4.0384 8.9100 118.4439 59.6915 29.8538 179.8694 64 D 4.7003 7.9800 114.9292 54.2302 40.8739 179.3102 65 D 4.8549 7.8879 119.9796 54.2166 39.7852 176.1859 66 N 4.5944 8.1652 121.1592 55.9054 39.0432 176.5539 67 I 3.6385 7.6714 119.6418 64.3302 38.1823 177.4272 68 Y 3.8497 7.8273 117.5411 60.9785 37.3982 178.7068 69 Q 4.1771 8.1071 118.9840 59.0726 28.8309 178.7110 70 Q 4.0315 8.0046 118.9436 58.8072 28.6451 178.8982 71 K 4.5632 8.0717 120.9412 59.0139 31.9386 179.4383 72 I 3.5873 7.8305 120.1594 64.1589 36.7177 178.3576 73 K 4.0439 8.1380 119.4683 59.8097 32.2473 178.3150 74 D 4.5144 8.3281 119.1543 57.2065 40.7120 178.4536 75 L 4.0978 8.3205 121.1814 58.4779 41.8264 178.7025 76 H 4.3587 7.9905 115.2787 58.3767 28.6471 177.3485 77 K 4.1787 8.0636 119.3075 57.9169 31.9649 177.4422 78 K 4.2254 7.9454 118.1011 56.0675 34.2339 175.1872 79 Y 4.9484 7.6193 113.6413 56.3563 41.8340 174.5036 80 S 4.4748 9.2620 117.4425 59.6833 65.3510 173.8459 81 Y 5.1534 7.8546 114.7414 56.4899 43.0170 174.0261 82 I 5.2965 9.2649 119.8371 59.6231 42.2916 173.5242 83 R 4.9513 9.1964 128.2318 54.4802 32.6683 174.7405 84 K 4.9139 9.0248 126.5775 56.2566 33.6319 176.1198 85 T 5.0226 8.4141 113.5883 59.4678 71.2907 174.2184 86 R 3.9266 8.4547 124.4176 56.3675 30.5413 175.8677 87 P 4.5601 0.0000 0.0000 61.6253 29.8812 175.1460 88 D 4.7660 8.3124 121.1897 53.6078 40.3124 178.6843 89 G 4.2851 8.4033 108.0527 47.1102 0.0000 174.3873 90 N 5.1407 8.5639 116.2653 53.2907 39.5279 176.3851 91 C 4.2026 8.7875 119.1856 62.8523 28.1075 175.5714 92 F 3.5745 8.2767 121.5787 61.3826 38.7086 176.4470 93 Y 3.8361 7.3518 115.5032 61.1033 37.7530 178.6733 94 R 4.0794 8.3127 119.3313 59.3425 30.1320 178.4696 95 A 3.9727 8.4712 121.0338 55.0490 18.3946 179.2858 96 F 3.9443 8.2211 119.7474 61.2377 39.3755 177.5177 97 G 3.6341 8.2867 105.3859 47.7616 0.0000 175.4192 98 F 2.8606 8.0160 123.5292 60.5027 39.3765 177.0706 99 S 3.9060 8.0305 112.9232 61.5080 62.1787 175.6915 100 H 3.8075 7.8559 121.1541 59.1039 29.3317 177.2252 101 L 3.6485 7.0313 119.3491 57.5435 41.5422 178.7607 102 E 3.6990 7.7483 119.2319 59.1856 29.5475 178.8181 103 A 3.9477 7.7502 120.5843 54.9982 18.4690 179.3911 104 L 3.9568 7.5875 116.8335 57.0259 41.4200 179.2396 105 L 4.0309 7.3847 118.5324 56.9086 41.5284 177.9923 106 D 5.0433 7.6215 116.0326 53.1678 42.5586 176.5885 107 D 4.6086 7.8197 120.1063 51.1057 42.1596 175.0295 108 S 4.0835 8.5999 118.7962 60.8404 62.5021 175.1854 109 K 3.8984 7.9935 121.4800 59.7173 31.9715 178.2549 110 E 3.9956 8.3015 119.0049 58.9172 29.3987 178.4342 111 L 3.9647 8.3543 121.0188 58.3902 42.2193 179.0732 112 Q 3.9995 8.2320 117.9381 58.8044 28.5635 178.7723 113 R 3.9206 8.2358 119.8404 59.4100 30.1141 178.3560 114 F 4.1628 8.6426 120.8077 61.1146 39.4123 176.8990 115 K 3.7273 8.4771 119.2759 59.3864 31.9976 178.5228 116 A 3.9354 8.0127 120.9172 55.2349 18.3283 179.7637 117 V 3.5336 7.8699 116.7314 66.2801 31.3658 178.4801 118 S 4.1942 7.8674 113.6984 61.3404 62.9342 176.0660 119 A 4.1945 8.4408 123.8240 55.3518 18.1757 179.7128 120 K 4.1127 8.1343 118.1489 59.4698 32.1785 178.8257 121 S 4.1749 8.1575 114.8774 61.4362 62.4943 176.5811 122 K 3.9577 7.6962 122.4685 59.3276 31.9330 178.4271 123 E 3.9317 8.1906 117.3931 59.5300 28.7935 178.1245 124 D 4.3479 8.1016 118.7850 57.3960 41.2772 178.5166 125 L 4.0011 8.0479 119.1705 57.7086 41.6115 179.6343 126 V 4.4334 8.4191 120.1055 65.6593 31.2632 178.2790 127 S 4.2254 8.3770 112.9840 60.8514 62.8554 175.2346 128 Q 4.4051 7.4243 120.3452 55.3947 29.1971 175.5715 129 G 3.9995 7.7758 106.1544 45.9921 0.0000 173.9253 130 F 4.2328 8.8317 120.6495 56.6451 39.6858 175.2572 131 T 4.1457 8.6233 122.9773 63.6281 69.1725 174.3521 132 E 4.0262 9.0638 129.2086 60.2522 29.6305 179.4315 *133 F 4.0231 8.0728 118.4310 62.2324 38.0025 178.8363 134 T 4.2985 7.8829 114.2095 65.9730 68.7757 176.0544 135 I 4.6070 7.7709 115.6466 62.2675 38.4040 178.0890 136 E 3.9743 8.3400 121.3756 61.5876 29.5521 184.2989 137 D 4.4925 7.7304 119.3274 57.1547 40.9020 178.8166 138 F 4.3247 7.1316 117.7020 60.8616 38.9468 177.0675 139 H 3.3055 8.4156 117.9310 58.9674 29.5681 177.0166 140 N 4.2720 8.4522 118.6711 56.5694 38.2870 177.4934 141 T 3.8763 7.9272 116.7822 66.4977 68.6079 176.3027 142 F 4.4004 8.1375 122.5207 61.9373 39.3109 177.1494 143 M 3.8125 8.2487 118.4724 58.3272 31.6135 178.5298 144 D 4.3141 8.2315 119.1897 57.2329 40.9575 178.8181 145 L 4.0088 8.1615 119.7069 57.7686 41.5454 179.4951 146 I 3.6465 7.6488 119.7493 64.3623 36.9596 177.9465 147 E 3.8559 8.3877 120.3964 59.3234 29.3366 178.4487 148 Q 3.9260 8.1957 119.5639 59.4783 29.0868 178.8469 149 V 3.5814 7.7764 119.0191 65.8392 31.3000 177.6173 150 E 3.9806 8.1964 118.7477 58.9580 29.5478 178.1578 151 K 4.1786 8.0619 115.5188 55.6986 32.6647 176.3819 152 Q 3.4043 7.8911 119.1735 56.7436 27.7236 173.6953 153 T 3.9355 7.4887 110.6974 62.0420 68.4215 174.0342 154 S 4.3610 8.3700 121.8727 58.1340 65.1939 175.5212 155 V 3.5799 8.3025 121.6155 66.0950 31.2724 178.0023 156 A 4.0718 7.9929 120.1052 55.4128 18.3644 179.2180 157 D 4.3876 8.3531 117.3588 57.1393 40.9137 178.7183 158 L 4.1054 8.0140 121.0791 58.0989 42.2231 178.7587 159 L 4.1494 8.7534 120.5259 58.1950 41.8012 178.7267 160 A 4.0565 7.9606 119.6369 55.3419 18.7360 179.3394 161 S 4.2563 8.1374 113.3215 61.9822 62.7870 176.9291 162 F 4.1606 8.4468 118.2135 59.3322 38.7741 176.3668 163 N 4.9204 7.7672 114.4421 51.9295 38.9689 173.9747 164 D 4.6140 7.4789 122.0692 52.9466 42.0148 176.3378 165 Q 3.9627 8.9525 127.9388 59.6361 29.0100 178.5166 166 S 4.0751 7.9707 115.2700 61.8745 62.9549 176.7036 167 T 3.7196 7.9269 118.1809 66.6697 68.2530 176.6874 168 S 3.8115 8.3435 115.2868 61.5676 62.4703 175.9828 169 D 4.4605 8.5935 121.9691 57.4417 40.5183 178.3509 170 Y 4.2693 8.4599 117.5769 60.9054 37.7811 178.2875 171 L 4.0242 8.0062 121.1876 58.1562 42.1528 179.1651 172 V 3.5052 7.8212 118.0870 65.9812 31.4906 177.8947 173 V 3.1663 7.9555 118.2847 66.0877 31.0552 177.3132 174 Y 3.7245 7.8057 118.8928 60.6127 38.6187 177.8931 175 L 3.6395 7.8144 120.0553 57.8597 41.6020 179.7950 176 R 3.2490 7.5078 118.0966 58.8966 29.8016 179.1806 177 L 3.6914 7.2818 118.7703 57.4678 41.5202 179.4718 178 L 3.5744 7.3823 119.1695 57.8512 41.4938 179.7558 179 T 3.7894 7.7173 115.6088 66.6303 68.4257 176.5993 180 S 4.1873 8.2548 115.5190 61.3845 62.3565 176.3933 181 G 3.6669 8.2208 108.7458 48.0053 0.0000 175.0768 182 Y 3.9038 8.0177 122.0214 60.2381 38.4349 177.6979 183 L 3.6061 7.9757 119.9330 57.9063 41.4942 179.6440 184 Q 4.0804 7.9699 116.4767 59.1456 28.7660 178.7470 185 R 4.0886 8.0071 117.8901 58.1671 30.6308 177.9545 186 E 4.7532 8.1608 118.8004 55.8367 31.0121 178.5216 187 S 4.5127 8.1405 117.9317 61.1231 62.8697 175.3468 188 K 4.2088 8.0379 120.9067 59.1566 31.9162 178.6182 189 F 4.2076 8.1552 119.7207 61.1862 39.7350 176.5620 190 F 4.6432 8.2885 115.5364 58.6263 38.9749 177.3708 191 E 3.9554 8.3112 119.7036 60.0498 29.1275 179.0992 192 H 4.2135 7.9656 112.6876 58.1902 28.7430 177.0248 193 F 4.3696 7.8200 119.5954 58.1944 38.8240 175.1664 194 I 4.0103 7.0704 119.7512 59.5226 36.8461 175.3264 195 E 4.1594 8.4257 125.6593 57.1715 30.0808 177.4471 196 G 4.0209 8.7910 110.2093 44.3825 0.0000 173.9628 197 G 4.0337 8.3194 106.4737 45.9049 0.0000 174.9341 198 R 4.3041 7.8763 118.6268 55.9582 30.8410 177.1061 199 T 4.1586 8.5825 112.1388 61.4117 70.7931 175.7308 200 V 3.6159 8.4100 121.0910 66.2710 31.3211 178.1413 201 K 3.9576 8.0338 118.6574 59.5116 32.1529 178.4275 202 E 4.0894 8.4162 118.9846 59.3641 29.3373 178.9179 203 F 4.0789 8.4844 120.8087 61.6434 39.3588 176.8972 204 C 3.9995 8.5760 116.4565 63.0792 27.7499 176.2127 205 Q 3.9638 8.1131 118.3680 58.6649 28.3247 178.1947 206 Q 4.2925 7.8612 117.3216 56.5164 29.5228 176.2587 207 E 4.4229 8.0720 116.5822 55.5836 31.6611 175.9605 208 V 4.1733 7.3746 115.0095 64.4375 33.5576 176.2627 209 E 3.9739 8.3609 118.1830 58.7250 29.4560 176.5633 210 P 4.3192 0.0000 0.0000 62.2287 32.2614 176.2558 211 M 4.0751 8.2658 121.3868 57.0280 32.5095 177.2358 212 C 3.8352 9.2837 117.0185 60.4033 26.7649 173.4091 213 K 4.5225 7.3262 119.3557 54.5044 30.9820 176.2177 214 E 4.4033 8.3848 124.1812 55.6138 30.3231 176.6585 215 S 3.8514 8.3721 120.6734 57.6864 64.1808 173.7997 216 D 5.0498 7.5559 122.0565 51.4685 42.0709 175.3248 217 H 3.9767 8.8369 113.1371 59.4868 28.1080 177.2709 218 I 3.3386 7.5841 122.3176 64.3711 36.8302 177.9774 219 H 4.0206 8.2074 116.4659 58.8660 28.4908 177.8410 220 I 2.9185 6.8331 120.8546 63.9893 36.7334 178.2997 221 I 3.7713 7.4977 120.4652 64.5613 37.0553 178.3085 222 A 4.0027 7.6691 120.7041 55.1398 18.2366 179.4840 223 L 3.8136 8.0438 118.8436 58.1036 42.1692 178.9288 224 A 3.8858 8.0328 120.9431 55.2296 18.1440 179.6984 225 Q 3.7388 7.8738 116.2969 58.5909 28.5159 178.2469 226 A 3.8734 7.5193 121.1692 54.9071 18.5085 178.9178 227 L 4.4352 7.6813 113.0291 53.3943 43.2228 176.6247 228 S 3.7341 7.4300 114.6860 60.2360 60.7889 171.3306 229 V 4.6667 7.8326 111.0038 59.5557 35.9077 176.7757 230 S 4.9983 8.5634 115.7225 56.7075 65.3274 172.4554 231 I 4.6188 9.1289 127.9088 59.5801 40.4743 174.0478 232 Q 5.1375 9.1367 128.9129 54.5663 31.2507 174.1819 233 V 4.9438 9.3239 126.2107 61.1936 34.6462 173.8844 234 E 4.8099 9.3927 128.3673 55.7838 31.1591 174.8961 235 Y 4.6361 8.8025 123.1196 57.0788 39.5821 174.5211 236 M 4.5782 8.8566 125.6796 54.2008 33.0559 174.1825 237 D 4.5395 8.5856 123.5428 54.8081 47.3800 175.5830 *239 G 3.8427 7.9137 108.4703 46.0543 0.0000 172.0691 240 E 4.2243 9.1139 114.9985 58.5245 31.4461 173.7497 241 G 4.1302 7.9468 103.2667 45.7503 0.0000 173.9118 242 G 3.9793 9.4838 115.3817 45.0325 0.0000 173.4452 243 T 4.2710 7.6990 111.6278 61.6466 69.2659 173.8919 244 T 4.6329 8.3705 116.6783 60.3923 71.4021 174.0887 245 N 5.0792 8.7072 121.3561 50.7750 40.4768 172.4149 246 P 5.0704 0.0000 0.0000 63.2656 32.4692 175.4707 247 H 4.9533 9.8356 120.2862 54.0539 32.0704 172.5215 248 I 4.9800 8.2567 123.2168 59.5519 39.5191 174.8679 249 F 4.9875 9.4469 125.7721 54.8935 41.6586 173.6252 250 P 4.7707 0.0000 0.0000 61.8700 32.2353 175.5320 251 E 4.0069 8.5351 119.1410 58.6092 29.6988 178.0112 252 G 3.9291 8.9876 110.9380 45.2104 0.0000 173.5044 253 S 4.4635 7.3994 113.7974 57.3628 64.4294 173.7487 254 E 4.5198 8.3242 120.3820 53.7653 29.3031 174.3644 255 P 4.9346 0.0000 0.0000 62.6956 32.1186 177.2114 256 K 4.5055 7.9530 121.3005 54.8263 33.9124 175.6428 257 V 4.2794 7.3930 119.3154 61.9745 34.4787 173.5902 258 Y 5.2264 8.4702 124.5933 56.2854 40.9409 174.5996 259 L 5.2226 9.3085 124.1329 52.7478 46.0426 175.0835 260 L 4.9674 8.8866 123.4425 53.5556 44.3794 174.3602 261 Y 4.4933 8.7119 128.4266 56.3307 40.4799 174.4840 262 R 4.6703 7.4616 123.6690 52.0940 35.3301 172.8707 263 P 4.1100 0.0000 0.0000 63.6397 31.5116 176.8177 264 G 3.9059 9.3364 110.4175 46.0069 0.0000 172.4936 265 H 4.8373 8.2171 116.3054 54.0135 32.8067 171.8442 266 Y 5.1870 8.7558 120.4705 56.4893 40.5486 174.6689 267 D 5.1052 9.1401 123.6746 52.5308 45.1507 174.9259 268 I 4.6523 8.6109 121.0703 60.1621 38.8162 175.2382 269 L 5.0721 8.7291 126.8947 53.2214 44.0476 175.5393 270 Y 4.9443 8.6981 118.9085 55.8598 41.7785 176.2650 271 K 4.1337 8.8765 121.2307 56.8519 32.1765 176.9501 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 45 N 8.41 4.67 0.00 2.70 2.85 0.00 0.00 7.04 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 46 P 0.00 4.34 0.00 2.44 2.02 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 47 L 8.92 4.22 0.00 1.91 1.83 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.26 4.73 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 0.13 0.00 0.00 0.92 0.00 0.00 49 S 8.78 4.50 0.00 3.88 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 50 E 8.43 4.21 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 51 R 8.33 4.06 0.00 1.58 1.58 0.00 2.26 0.00 0.00 2.56 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.25 0.00 52 L 9.09 5.01 0.00 1.62 1.57 0.93 0.78 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 53 E 8.78 4.35 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 54 L 8.69 3.94 0.00 1.58 1.38 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.23 4.52 0.00 4.33 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 56 V 7.90 3.77 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 1.16 0.00 0.00 1.00 0.00 0.00 57 L 8.04 4.02 0.00 1.63 1.64 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.83 4.27 0.00 3.24 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 59 K 7.93 4.19 0.00 2.00 1.88 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 60 E 8.02 4.20 0.00 1.60 1.50 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 2.16 2.30 0.00 61 Y 7.36 4.59 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.59 4.23 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 63 E 8.91 4.04 0.00 2.00 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 2.23 1.88 0.00 64 D 7.98 4.70 0.00 2.69 2.59 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 65 D 7.89 4.85 0.00 2.87 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 66 N 8.17 4.59 0.00 2.79 2.87 0.00 0.00 6.63 7.22 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 67 I 7.67 3.64 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 0.68 0.00 0.00 68 Y 7.83 3.85 0.00 2.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.11 4.18 0.00 2.40 2.36 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 2.71 2.67 0.00 70 Q 8.00 4.03 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 71 K 8.07 4.56 0.00 1.86 1.82 0.00 1.31 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.41 1.46 7.81 72 I 7.83 3.59 1.55 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.13 0.23 0.00 0.00 73 K 8.14 4.04 0.00 2.26 2.05 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.36 7.81 74 D 8.33 4.51 0.00 3.05 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 75 L 8.32 4.10 0.00 2.05 1.84 1.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.99 4.36 0.00 3.32 3.39 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.06 4.18 0.00 1.88 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 78 K 7.95 4.23 0.00 1.55 1.57 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.98 7.81 79 Y 7.62 4.95 0.00 2.92 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 80 S 9.26 4.47 0.00 3.75 3.23 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 0.00 81 Y 7.85 5.15 0.00 2.98 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 82 I 9.26 5.30 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.50 0.99 0.00 0.00 83 R 9.20 4.95 0.00 2.17 1.83 0.00 2.92 0.00 0.00 2.67 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.77 0.00 84 K 9.02 4.91 0.00 1.74 1.70 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.38 7.81 85 T 8.41 5.02 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 1.23 0.00 0.00 86 R 8.45 3.93 0.00 2.05 1.92 0.00 3.27 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 87 P 0.00 4.56 0.00 2.07 1.83 0.00 3.76 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 1.94 1.93 0.00 88 D 8.31 4.77 0.00 2.82 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 89 G 8.40 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 0.00 0.00 0.00 0.00 90 N 8.56 5.14 0.00 2.93 2.91 0.00 0.00 6.93 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 91 C 8.79 4.20 0.00 3.38 3.42 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 92 F 8.28 3.57 0.00 1.51 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 0.00 0.00 0.00 0.00 93 Y 7.35 3.84 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.31 4.08 0.00 2.12 2.02 0.00 3.34 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 95 A 8.47 3.97 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 96 F 8.22 3.94 0.00 2.45 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 97 G 8.29 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 98 F 8.02 2.86 0.00 2.09 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 99 S 8.03 3.91 0.00 3.87 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 0.00 100 H 7.86 3.81 0.00 2.21 2.42 0.00 5.84 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 0.00 101 L 7.03 3.65 0.00 1.47 1.56 1.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.75 3.70 0.00 1.16 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 2.16 0.00 103 A 7.75 3.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.59 3.96 0.00 1.65 1.58 0.32 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.38 4.03 0.00 1.59 1.69 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.62 5.04 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.82 4.61 0.00 2.62 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 0.00 108 S 8.60 4.08 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.99 3.90 0.00 1.87 1.96 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 110 E 8.30 4.00 0.00 2.17 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 2.28 2.39 0.00 111 L 8.35 3.96 0.00 1.86 1.87 0.89 0.85 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 0.00 112 Q 8.23 4.00 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 113 R 8.24 3.92 0.00 1.95 2.16 0.00 3.15 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 1.71 1.69 0.00 114 F 8.64 4.16 0.00 3.34 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 0.00 115 K 8.48 3.73 0.00 1.91 1.95 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 116 A 8.01 3.94 1.41 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 0.00 117 V 7.87 3.53 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 1.02 0.00 0.00 1.00 0.00 0.00 118 S 7.87 4.19 0.00 3.71 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 0.00 119 A 8.44 4.19 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.13 4.11 0.00 1.96 2.06 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.32 7.81 121 S 8.16 4.17 0.00 4.18 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 0.00 122 K 7.70 3.96 0.00 1.38 1.64 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.45 7.81 123 E 8.19 3.93 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 2.44 2.47 0.00 124 D 8.10 4.35 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.05 4.00 0.00 1.80 1.43 0.34 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.88 4.30 4.51 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 1.33 0.00 0.00 135 I 7.77 4.61 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.88 1.17 0.00 0.00 136 E 8.34 3.97 0.00 1.98 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 2.25 2.25 0.00 137 D 7.73 4.49 0.00 2.08 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 7.13 4.32 0.00 3.29 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 0.00 139 H 8.42 3.31 0.00 2.85 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.45 4.27 0.00 2.96 2.84 0.00 0.00 7.02 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 0.00 141 T 7.93 3.88 4.63 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 1.33 0.00 0.00 142 F 8.14 4.40 0.00 2.88 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 0.00 143 M 8.25 3.81 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 144 D 8.23 4.31 0.00 2.86 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 0.00 145 L 8.16 4.01 0.00 1.90 1.82 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.65 3.65 1.84 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.88 0.00 0.00 147 E 8.39 3.86 0.00 2.06 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 2.29 2.30 0.00 148 Q 8.20 3.93 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 149 V 7.78 3.58 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 0.92 0.00 0.00 0.98 0.00 0.00 150 E 8.20 3.98 0.00 2.06 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 2.31 2.34 0.00 151 K 8.06 4.18 0.00 2.15 1.82 0.00 2.03 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.47 1.31 7.81 152 Q 7.89 3.40 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 153 T 7.49 3.94 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 1.21 0.00 0.00 154 S 8.37 4.36 0.00 4.08 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 0.00 155 V 8.30 3.58 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 1.21 0.00 0.00 0.89 0.00 0.00 156 A 7.99 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.35 4.39 0.00 2.74 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 0.00 158 L 8.01 4.11 0.00 1.81 1.93 1.10 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.75 4.15 0.00 2.00 1.91 0.52 1.25 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 0.00 160 A 7.96 4.06 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 0.00 161 S 8.14 4.26 0.00 4.26 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 0.00 162 F 8.45 4.16 0.00 3.29 3.22 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 0.00 163 N 7.77 4.92 0.00 2.76 2.86 0.00 0.00 6.87 7.59 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 0.00 164 D 7.48 4.61 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Q 8.95 3.96 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 166 S 7.97 4.08 0.00 3.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.93 3.72 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 1.11 0.00 0.00 168 S 8.34 3.81 0.00 4.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.59 4.46 0.00 2.92 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 0.00 170 Y 8.46 4.27 0.00 3.29 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 0.00 171 L 8.01 4.02 0.00 1.77 1.82 1.30 1.10 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 0.00 172 V 7.82 3.51 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 0.99 0.00 0.00 1.09 0.00 0.00 173 V 7.96 3.17 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 -0.74 0.00 0.00 0.55 0.00 0.00 174 Y 7.81 3.72 0.00 3.17 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 0.00 175 L 7.81 3.64 0.00 1.59 1.64 1.23 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 176 R 7.51 3.25 0.00 1.57 1.76 0.00 2.87 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.94 0.00 177 L 7.28 3.69 0.00 1.20 1.05 0.86 0.55 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 0.00 178 L 7.38 3.57 0.00 1.52 1.50 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 179 T 7.72 3.79 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 1.20 0.00 0.00 180 S 8.25 4.19 0.00 3.85 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 0.00 181 G 8.22 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.02 3.90 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 0.00 183 L 7.98 3.61 0.00 1.81 1.55 0.85 -0.49 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 0.00 184 Q 7.97 4.08 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 185 R 8.01 4.09 0.00 1.78 1.86 0.00 3.12 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.01 0.00 186 E 8.16 4.75 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.14 0.00 187 S 8.14 4.51 0.00 4.11 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 0.00 188 K 8.04 4.21 0.00 2.07 1.96 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.06 7.81 189 F 8.16 4.21 0.00 2.90 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 0.00 190 F 8.29 4.64 0.00 3.26 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 0.00 191 E 8.31 3.96 0.00 2.02 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 2.36 2.64 0.00 192 H 7.97 4.21 0.00 3.06 3.21 0.00 5.53 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.82 4.37 0.00 3.08 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 0.00 194 I 7.07 4.01 1.79 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.91 0.00 0.00 195 E 8.43 4.16 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 2.32 2.31 0.00 196 G 8.79 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.32 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 0.00 198 R 7.88 4.30 0.00 1.91 1.97 0.00 3.29 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 199 T 8.58 4.16 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 1.22 0.00 0.00 200 V 8.41 3.62 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.05 0.00 0.00 201 K 8.03 3.96 0.00 1.86 1.79 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.60 7.81 202 E 8.42 4.09 0.00 2.32 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 203 F 8.48 4.08 0.00 3.13 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 C 8.58 4.00 0.00 3.20 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 0.00 205 Q 8.11 3.96 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 206 Q 7.86 4.29 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 207 E 8.07 4.42 0.00 1.16 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 1.90 1.91 0.00 208 V 7.37 4.17 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 0.80 0.00 0.00 0.62 0.00 0.00 209 E 8.36 3.97 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 210 P 0.00 4.32 0.00 1.99 1.93 0.00 3.60 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 2.06 2.12 0.00 211 M 8.27 4.08 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.41 0.00 212 C 9.28 3.84 0.00 3.16 3.11 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 0.00 213 K 7.33 4.52 0.00 1.99 1.77 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.61 7.81 214 E 8.38 4.40 0.00 1.99 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 2.51 2.68 0.00 215 S 8.37 3.85 0.00 3.32 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 0.00 216 D 7.56 5.05 0.00 2.80 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 0.00 217 H 8.84 3.98 0.00 3.53 3.73 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 I 7.58 3.34 1.95 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.45 0.59 0.00 0.00 219 H 8.21 4.02 0.00 2.79 3.17 0.00 5.64 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 0.00 220 I 6.83 2.92 0.56 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 -0.14 0.00 0.00 221 I 7.50 3.77 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.86 1.24 0.00 0.00 222 A 7.67 4.00 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 0.00 223 L 8.04 3.81 0.00 1.83 1.63 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 224 A 8.03 3.89 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 0.00 225 Q 7.87 3.74 0.00 1.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 226 A 7.52 3.87 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 L 7.68 4.44 0.00 1.77 2.01 1.27 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 228 S 7.43 3.73 0.00 3.99 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 0.00 229 V 7.83 4.67 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 0.82 0.00 0.00 0.95 0.00 0.00 230 S 8.56 5.00 0.00 3.90 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 0.00 231 I 9.13 4.62 2.03 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 1.12 0.00 0.00 232 Q 9.14 5.14 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 233 V 9.32 4.94 2.29 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 0.58 0.00 0.00 1.13 0.00 0.00 234 E 9.39 4.81 0.00 1.84 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 2.40 2.42 0.00 235 Y 8.80 4.64 0.00 3.15 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 0.00 236 M 8.86 4.58 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 237 D 8.59 4.54 0.00 2.97 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 *239 G 7.91 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 0.00 240 E 9.11 4.22 0.00 2.00 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 2.23 1.89 0.00 241 G 7.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 G 9.48 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 0.00 243 T 7.70 4.27 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 1.22 0.00 0.00 244 T 8.37 4.63 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 1.25 0.00 0.00 245 N 8.71 5.08 0.00 2.85 2.89 0.00 0.00 6.86 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 0.00 246 P 0.00 5.07 0.00 2.20 2.42 0.00 3.79 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 247 H 9.84 4.95 0.00 3.43 2.87 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 I 8.26 4.98 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 1.02 0.00 0.00 249 F 9.45 4.99 0.00 2.85 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 0.00 250 P 0.00 4.77 0.00 2.24 2.21 0.00 3.78 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 2.10 2.01 0.00 251 E 8.54 4.01 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 252 G 8.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 S 7.40 4.46 0.00 4.00 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 0.00 254 E 8.32 4.52 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 255 P 0.00 4.93 0.00 1.81 2.00 0.00 3.39 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 256 K 7.95 4.51 0.00 1.64 1.70 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.21 7.81 257 V 7.39 4.28 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 1.06 0.00 0.00 0.85 0.00 0.00 258 Y 8.47 5.23 0.00 3.08 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 0.00 259 L 9.31 5.22 0.00 1.70 1.82 1.17 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 260 L 8.89 4.97 0.00 1.56 1.42 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 261 Y 8.71 4.49 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 R 7.46 4.67 0.00 1.52 1.63 0.00 3.27 0.00 0.00 3.28 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.26 0.00 263 P 0.00 4.11 0.00 2.02 2.08 0.00 3.79 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 264 G 9.34 3.91 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 0.00 0.00 0.00 265 H 8.22 4.84 0.00 2.87 3.03 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 266 Y 8.76 5.19 0.00 2.82 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 0.00 267 D 9.14 5.11 0.00 2.53 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 0.00 268 I 8.61 4.65 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.48 0.00 0.00 269 L 8.73 5.07 0.00 1.20 0.92 0.13 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 270 Y 8.70 4.94 0.00 3.13 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 0.00 271 K 8.88 4.13 0.00 1.73 1.60 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.10 7.81 * Residues marked with a * may have inaccurate shift predictions.