NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8256 8.3044 120.6455 55.5690 33.8031 174.2694 2 L 4.6521 9.1675 126.4564 53.3454 45.8172 173.2281 3 T 5.3036 8.6122 122.9475 61.8367 71.0533 173.1983 4 F 5.3253 8.9590 120.1049 55.2841 42.0666 173.3820 5 A 4.9476 9.1219 122.6819 51.0529 20.9308 176.0769 6 L 5.4932 9.2826 123.2889 53.8850 45.1603 175.1771 7 T 5.2518 9.3734 124.1061 62.2022 70.8384 173.8303 8 I 5.1417 9.1584 127.2435 59.5150 40.5383 174.7275 9 V 4.9559 8.8777 126.6232 60.9281 34.7745 174.6865 10 R 4.6333 8.6994 128.6213 56.0609 31.3404 175.5271 11 H 4.5781 8.7172 121.1140 55.6447 29.7132 175.0213 12 G 3.9184 8.6969 107.3318 45.6677 0.0000 173.0672 13 E 4.4377 9.4945 122.4352 56.9097 30.8548 176.6200 14 T 4.8589 8.7692 116.0411 59.6409 71.6246 175.2135 15 Q 4.0593 8.5895 121.6521 59.4575 28.8508 177.5936 16 Y 4.0563 8.2877 117.4973 61.0744 38.0018 178.0654 17 N 4.3694 8.2704 117.2103 56.5196 38.4908 177.4489 18 R 3.9598 7.7917 118.5451 59.2553 30.3004 177.4132 19 D 4.5505 8.1024 115.5959 53.4236 41.3992 176.2368 20 K 3.8559 7.7603 118.2128 57.4268 30.1684 174.6378 21 L 4.8917 7.6963 117.6202 52.9731 43.5486 177.2479 22 L 3.9271 8.6448 123.6140 55.0904 42.6345 175.8087 23 Q 4.9488 8.9630 125.3115 53.6026 31.2064 174.5505 24 G 4.2217 9.3489 114.7179 46.2178 0.0000 175.1580 25 Q 4.2931 9.0822 124.9527 55.8692 29.5431 176.2770 26 G 3.7015 8.3729 106.2447 46.4878 0.0000 173.7892 27 I 4.0353 8.3483 121.5431 60.0134 37.2909 176.2839 28 D 4.6099 8.1442 131.0066 52.9580 39.8748 175.9430 29 T 4.1654 7.1426 110.9905 60.3273 70.3814 173.4462 30 P 4.7194 0.0000 0.0000 61.2290 32.8876 175.6317 31 L 4.1671 8.5642 119.2860 54.9494 42.0073 177.9501 32 S 4.5704 8.5438 117.4051 57.1725 64.8558 174.5941 33 D 4.3844 8.8201 118.6864 58.0214 40.5902 178.0835 34 T 3.9989 8.0785 115.6440 66.7986 68.4064 176.5829 35 G 3.6205 7.9528 106.9851 48.0197 0.0000 175.3527 36 H 4.1110 8.4187 118.5099 58.9334 28.7425 177.9151 37 Q 4.0505 8.1071 119.4766 59.0463 28.4947 178.8284 38 Q 4.0277 8.4009 119.0247 58.8504 28.7025 178.6215 39 A 3.9854 8.3594 121.8542 55.1420 18.3625 179.5506 40 A 3.9934 8.1413 119.1301 55.2284 18.4007 179.7711 41 A 3.9954 8.2129 119.1839 55.2490 18.4867 179.7696 42 A 3.9223 8.4133 119.6538 54.9849 18.1825 180.1080 43 G 3.6334 8.2580 103.8785 48.1591 0.0000 175.7492 44 R 4.1341 8.4050 121.4527 59.0623 29.8544 178.5115 45 Y 4.1885 8.1268 118.3002 60.3751 39.1253 177.2590 46 L 4.4890 8.0973 117.8733 54.4734 41.9070 178.6118 47 K 4.0708 7.9360 120.7688 59.5085 32.6390 178.0304 48 D 4.8216 7.9219 116.8497 53.9991 41.1818 175.7476 49 L 4.1578 7.4570 120.2636 53.3553 42.7606 175.7823 50 H 4.4346 8.2355 122.9659 54.9096 29.7284 174.5657 51 F 4.8140 8.4336 127.8395 56.7222 38.8592 176.3049 52 T 4.1547 8.6042 117.5897 63.9734 69.5525 174.9043 53 N 4.9446 8.0050 118.7147 51.5653 43.5245 173.6018 54 V 4.6021 7.6344 121.4785 61.0538 35.2610 173.8882 55 F 5.6300 9.3540 126.2552 55.7629 42.7029 174.3557 56 V 5.0136 9.0190 122.4205 59.6432 34.9879 175.1260 57 S 4.8078 8.2469 117.4285 58.2679 63.2433 174.0724 58 N 4.5673 8.7180 116.6275 53.6569 37.7001 174.4931 59 L 4.5056 7.7224 120.9118 53.8217 43.8379 176.8810 60 Q 3.9476 9.4904 125.4744 59.5724 28.8905 179.3458 61 R 3.9485 8.0089 116.0828 59.3122 29.1199 178.5264 62 A 3.9548 7.8038 120.7183 54.8331 18.5489 179.2695 63 I 3.6067 7.7660 118.3599 64.8617 37.2247 178.6783 64 Q 4.1409 8.5487 118.9875 59.1859 28.4237 179.0405 65 T 3.8249 7.7126 116.6674 66.5913 68.4625 176.5510 66 A 3.9444 8.2104 122.8648 55.2291 18.3304 179.5392 67 E 3.9081 8.4298 117.2724 59.5897 29.5155 179.7336 68 I 3.7608 7.8459 119.8700 64.3229 36.9461 178.4962 69 I 3.7391 7.7243 119.7063 64.5536 37.2633 178.2575 70 L 4.3260 8.2965 120.0540 57.6453 41.1934 179.7400 71 G 3.6897 8.3503 105.4726 47.6671 0.0000 174.7832 72 N 4.6038 7.9969 116.1622 53.2146 39.2754 174.9225 73 N 4.6861 7.4498 119.7280 53.0236 39.7659 174.6855 74 L 4.4072 8.5740 123.8518 55.4712 42.1801 176.9013 75 H 4.8647 8.8804 114.1131 55.1633 30.9178 174.2395 76 S 4.9420 7.9777 115.5675 58.0534 63.5132 176.2477 77 S 4.1046 8.3208 117.7771 61.2126 62.7344 174.8567 78 A 4.2690 7.8513 121.0078 52.8871 18.8319 177.0645 79 T 4.1911 7.5971 114.3431 62.6811 69.0931 174.2101 80 E 4.2927 8.4844 124.7435 55.4372 30.9704 175.4576 81 M 4.1478 8.4657 122.5587 55.4137 33.1842 175.0029 82 I 4.4092 8.6084 127.9349 59.7482 39.3225 174.7982 83 L 4.7199 8.5607 127.8626 54.2036 42.6947 175.8051 84 D 4.8078 9.5077 124.6201 51.7847 43.3551 174.6042 85 P 4.5235 0.0000 0.0000 64.6885 31.5755 178.7027 86 L 4.0646 8.2910 117.4005 57.0613 41.5245 177.7517 87 L 3.2467 7.4820 117.0735 53.9798 41.7751 177.1929 88 R 3.8743 7.2076 115.9979 55.4399 29.8958 176.3009 89 E 4.0313 7.9500 119.8590 55.6589 30.2740 176.5215 90 R 3.8682 8.5676 122.9406 56.7420 30.4990 176.3217 91 G 3.5613 8.9552 114.4459 45.4231 0.0000 173.9746 92 F 4.9532 8.5802 120.6981 56.1320 41.3004 176.8356 93 G 3.7567 7.7968 110.8134 46.6867 0.0000 177.7050 94 V 3.7652 9.0312 117.2997 63.2898 31.7226 176.7470 95 A 4.3647 8.1981 122.3495 52.8881 18.9561 177.0332 96 E 4.2590 7.9665 117.8347 57.3920 30.0408 177.3474 97 G 4.1545 9.4095 114.3688 45.5643 0.0000 173.5972 98 R 4.4557 7.5049 118.5932 53.6354 31.9851 174.1040 99 P 4.5572 0.0000 0.0000 63.1751 31.5018 177.8383 100 K 3.9379 8.8624 121.6675 59.4982 31.8499 179.6417 101 E 4.0109 8.1177 118.7458 59.3526 29.3718 178.3152 102 H 4.1000 8.1787 118.4939 59.2270 29.7877 176.8665 103 L 3.9071 7.9099 121.4828 58.0356 41.9230 178.5297 104 K 3.7859 7.6296 118.3457 59.8039 32.1135 178.3832 105 N 4.2670 8.1075 116.4819 56.5746 38.4306 177.3699 106 M 3.8701 7.9605 119.8968 57.9770 32.0148 178.4645 107 A 2.7379 7.5725 121.0402 54.9262 18.4354 179.3886 108 N 4.1371 7.8220 114.4480 56.5120 38.4201 177.5414 109 A 3.9327 7.7512 120.4839 54.6995 18.5400 178.6221 110 A 4.3390 7.6409 116.4738 51.8410 19.1149 178.3987 111 G 3.8209 8.0202 105.8699 45.6125 0.0000 173.8938 112 Q 4.5454 7.6231 119.1706 53.8931 30.5022 175.4655 113 S 4.4264 8.1857 113.9059 58.0204 63.9037 175.1733 114 C 4.2597 8.5202 118.7595 62.6151 27.7768 176.2345 115 R 4.1652 7.3688 119.4437 58.5563 29.9573 177.3677 116 D 4.6621 7.6660 114.3814 53.5185 41.6115 175.1328 117 Y 4.6947 7.3679 120.1186 56.6606 39.9871 173.8022 118 T 4.5324 7.4539 123.2580 60.5551 71.2983 172.0385 119 P 4.4203 0.0000 0.0000 60.9488 32.3729 173.9757 120 P 4.3698 0.0000 0.0000 64.5581 31.6042 177.7632 121 G 3.8831 9.0303 110.7538 45.2037 0.0000 173.3484 122 G 3.9902 7.6364 106.6376 45.2335 0.0000 172.7662 123 E 4.9869 8.4827 119.8957 54.8682 31.1388 177.1394 124 T 4.3483 8.8617 114.2017 60.4982 70.2664 175.3777 125 L 3.9146 8.6359 123.4299 58.4514 41.9256 178.6857 126 E 3.8961 8.1206 118.6312 59.2914 29.7276 178.5649 127 Q 3.9773 8.0448 118.1592 58.9259 28.7679 179.0755 128 V 3.6386 7.6601 118.7940 65.9328 31.6046 177.9241 129 K 3.8769 8.2442 119.5725 59.8254 31.9229 178.7349 130 T 3.8765 8.3000 116.3720 66.6724 68.3403 176.6774 131 R 3.9769 7.9460 119.4398 59.2727 30.1620 178.8354 132 F 4.5006 8.3400 120.3665 61.3632 39.3815 177.0690 133 K 3.6354 8.4397 118.4771 59.8787 31.8451 179.2007 134 M 3.9655 8.1866 118.7916 58.0930 31.8454 178.4835 135 F 3.9657 8.5508 121.2312 61.2550 39.5417 177.0471 136 L 2.8914 7.6206 118.7329 57.2468 41.4075 179.4018 137 K 3.5642 7.3943 119.2761 59.4447 32.0319 178.7146 138 S 3.8746 7.5896 113.2532 61.0310 62.2171 175.6435 139 L 3.2625 7.3658 123.2050 58.0115 41.5852 178.9155 140 F 4.4300 7.8352 117.8713 60.7203 38.8645 177.4405 141 Q 3.9634 7.8848 118.6221 59.1397 28.8538 178.3166 142 R 3.8623 8.0292 119.6875 59.8025 30.1385 178.3645 143 M 4.0245 8.2480 118.8882 58.2686 31.8690 178.6406 144 F 3.9297 8.4581 120.8480 61.1781 39.3940 176.7594 145 E 3.9581 8.1288 117.0151 59.6630 29.4205 178.9094 146 E 3.9744 7.9522 117.3975 59.0042 29.8967 177.0556 147 H 4.6752 8.1482 112.7868 55.2062 30.5061 174.6398 148 G 2.4016 7.8572 109.8588 45.1058 0.0000 173.0608 *160 Q 3.9681 8.4796 125.9581 54.9673 29.6306 172.9976 161 P 4.4780 0.0000 0.0000 62.3439 32.9055 176.4706 162 V 3.8296 8.3392 122.0765 62.8519 32.4617 174.9972 163 I 4.4291 8.4954 129.5011 59.7277 38.6027 175.1936 164 A 4.5146 9.3799 129.2743 51.3991 19.3701 176.4909 165 G 3.7986 8.6143 104.3532 46.8504 0.0000 173.7969 166 L 4.7799 7.9180 117.5274 51.8553 44.8586 177.5752 167 A 3.7176 8.2172 122.8482 54.7890 18.4198 178.2309 168 D 4.8001 7.8669 113.8103 53.0254 39.8623 175.7377 169 D 4.6552 7.8541 120.1483 56.6898 41.0727 177.6313 170 G 3.9648 8.9182 111.1640 45.7725 0.0000 173.7863 171 A 4.7566 8.0104 121.6088 51.8521 19.6684 178.0715 172 Q 4.0728 8.3994 119.6979 59.6055 28.8126 177.2356 173 N 4.9710 8.0174 113.6104 52.9467 39.2353 175.0511 174 V 4.3142 7.3808 119.9461 60.1050 31.5635 173.0918 175 P 4.3303 0.0000 0.0000 64.6633 31.9640 177.4473 176 V 3.9441 7.7339 120.1175 62.3897 32.8392 174.7077 177 H 5.4179 9.0770 127.5987 55.2648 33.2337 171.6654 178 A 5.3891 9.9089 128.6819 50.5493 21.5732 174.9987 179 L 4.9866 8.8583 123.6917 53.5057 44.5465 174.7855 180 M 5.3497 9.3428 125.8665 53.7820 35.3589 173.9949 181 V 4.7577 8.7811 126.3006 61.2100 33.9056 172.6316 182 S 4.3115 8.9853 126.7438 57.8655 66.5734 172.3660 183 H 5.2826 8.9070 113.8091 52.9828 32.8434 174.2483 184 G 3.7429 8.9867 107.7274 48.3114 0.0000 175.9277 185 A 4.0857 8.7565 123.9852 54.4467 18.4503 179.3082 186 F 3.9428 8.8621 119.4799 61.6478 39.4560 177.4647 187 I 3.5986 8.3669 119.7094 64.2332 36.9316 178.3100 188 R 3.9044 8.1372 119.5886 59.6485 29.9241 178.6743 189 I 3.6580 7.7642 119.4984 64.3728 36.9991 178.6838 190 S 3.2978 7.5931 116.0816 61.1122 62.3965 176.8414 191 V 3.4604 7.9416 121.3222 65.9902 31.2335 178.0744 192 R 4.2420 8.0091 118.4024 59.5810 29.8170 177.7942 193 H 4.3970 8.1961 119.4063 58.7573 28.3342 177.0583 194 L 3.9343 8.0051 120.6395 57.8692 41.2012 179.8508 195 V 3.8392 7.8111 116.6811 65.4630 31.6534 177.0087 196 E 4.3739 8.3862 117.5709 58.6711 29.9038 177.0331 197 D 4.4635 7.9697 118.4747 56.3144 41.1881 176.5311 198 L 4.5672 6.8638 116.9538 52.2565 43.8581 175.9071 199 Q 4.0436 8.4179 121.5359 56.7125 29.1957 175.0643 200 C 4.9740 8.3783 124.4892 58.3391 34.9499 172.3976 201 C 4.8490 9.1547 123.2895 58.1426 30.2649 172.7309 202 L 5.1025 8.2529 121.8745 52.1005 44.8482 174.6611 203 P 4.6221 0.0000 0.0000 61.7863 33.3246 175.3311 204 A 3.9479 8.7446 124.0274 53.6284 18.5237 178.3859 205 G 3.8146 8.8879 110.1837 45.2605 0.0000 172.9740 206 L 4.2787 7.1979 120.8099 53.5758 42.2700 176.9516 207 K 4.2369 8.3673 126.4538 56.2213 34.0756 177.9817 208 M 3.9442 8.6686 122.8339 58.5744 31.7134 178.7711 209 N 4.4463 8.1417 115.5397 56.3529 38.9468 176.7032 210 Q 4.0720 7.9685 120.4376 59.1178 29.0674 177.9311 211 V 3.4264 7.3987 118.0975 65.5728 31.4348 177.0914 212 F 5.0035 7.5072 114.0845 56.3242 39.3114 176.2077 213 S 4.4663 7.0706 114.0028 57.0179 63.6085 172.3070 214 P 4.4063 0.0000 0.0000 62.6845 31.7633 175.5423 215 C 4.3962 8.5203 122.0135 58.2033 32.2555 171.6140 216 P 4.5466 0.0000 0.0000 61.8073 31.9676 175.2228 217 N 4.5036 8.8268 116.1488 54.4411 38.6098 175.1499 218 T 3.5774 8.6564 111.7317 62.1639 68.5673 172.2404 219 G 3.8651 8.1796 109.8596 47.0306 0.0000 173.0112 220 I 5.3400 8.9804 124.1450 59.4942 40.4574 174.9456 221 S 5.2447 9.4355 122.2746 56.8331 67.2688 173.0522 222 R 5.0552 8.0470 121.3340 54.8984 33.4958 173.8130 223 F 5.0477 9.2885 123.8259 55.6481 43.3681 173.7764 224 I 4.7769 8.7206 122.7701 59.6322 39.6114 174.5820 225 F 5.0705 8.8443 125.8225 55.8498 41.9758 174.6380 226 T 5.1165 8.8777 119.5413 61.8662 71.2243 173.1328 227 I 4.9293 9.2065 127.2612 59.7168 40.7248 174.3366 228 H 5.0070 9.3890 122.7640 53.9902 32.4434 173.3400 229 R 4.2455 8.4724 123.4084 55.0606 28.8720 176.0512 230 E 4.0724 9.5210 125.7452 58.4317 29.7048 178.9288 231 E 4.6129 8.0244 120.1265 56.5358 30.7848 174.3855 232 S 3.9206 8.5003 113.9151 58.1638 62.4179 172.6173 233 V 4.3746 7.2115 119.8527 61.5840 34.4703 174.1405 234 L 4.8272 8.5026 127.8494 53.7918 42.7158 175.9537 235 R 4.6133 9.1945 124.4598 54.1072 33.3920 174.2707 236 A 4.3266 8.6474 127.9095 52.2684 17.9884 177.1308 237 T 4.1363 9.0402 120.4210 66.8394 69.3891 175.9562 238 R 4.7053 7.7988 119.8647 54.6192 34.2010 173.8901 239 I 4.7003 8.2933 124.9561 59.4322 41.1546 173.7872 240 Q 4.8050 8.9576 128.9581 53.8932 31.3096 174.8142 241 G 3.1720 8.9229 115.3121 46.4477 0.0000 172.0091 242 V 4.3647 7.9590 123.5148 63.5467 33.0288 175.4625 243 F 5.0380 6.8282 113.4670 55.5380 41.4571 172.4260 244 I 4.6852 7.9345 119.8948 60.0682 40.4328 175.0860 245 N 4.2424 9.2589 124.9182 54.1339 36.7563 174.7399 246 R 4.1399 8.5092 118.6561 56.3587 30.9194 176.4380 247 K 4.7283 8.1728 123.6512 56.3414 33.6226 178.0756 248 D 4.2293 8.2397 122.1664 58.7527 40.8230 178.6031 249 H 4.2778 7.6038 112.4046 57.3550 28.6226 175.8089 250 L 4.2738 7.4101 119.1193 55.1217 42.2152 176.4384 251 E 4.2329 7.7748 123.0898 56.3007 29.6306 175.6098 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 4.83 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.47 0.00 2 L 9.17 4.65 0.00 1.71 1.70 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.61 5.30 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 F 8.96 5.33 0.00 3.29 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 9.12 4.95 1.05 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 0.00 0.00 6 L 9.28 5.49 0.00 2.23 2.05 1.38 1.08 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 7 T 9.37 5.25 4.54 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 1.43 0.00 0.00 8 I 9.16 5.14 2.03 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 1.02 0.00 0.00 9 V 8.88 4.96 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 1.04 0.00 0.00 0.98 0.00 0.00 10 R 8.70 4.63 0.00 2.00 1.92 0.00 3.21 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 11 H 8.72 4.58 0.00 3.42 3.36 0.00 5.51 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 12 G 8.70 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 13 E 9.49 4.44 0.00 2.15 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 2.36 2.32 0.00 14 T 8.77 4.86 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 15 Q 8.59 4.06 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 16 Y 8.29 4.06 0.00 3.02 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 17 N 8.27 4.37 0.00 3.07 2.92 0.00 0.00 6.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.79 3.96 0.00 2.03 2.13 0.00 3.27 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 19 D 8.10 4.55 0.00 2.59 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 20 K 7.76 3.86 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.52 7.81 21 L 7.70 4.89 0.00 1.23 1.37 0.22 0.66 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 22 L 8.64 3.93 0.00 1.61 1.38 0.62 -0.43 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 23 Q 8.96 4.95 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 24 G 9.35 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 0.00 0.00 0.00 0.00 25 Q 9.08 4.29 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 26 G 8.37 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 27 I 8.35 4.04 1.62 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 1.46 1.02 0.46 0.00 0.00 28 D 8.14 4.61 0.00 2.55 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 29 T 7.14 4.17 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 0.95 0.00 0.00 30 P 0.00 4.72 0.00 2.21 2.22 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 31 L 8.56 4.17 0.00 1.52 1.59 0.76 1.27 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 32 S 8.54 4.57 0.00 4.06 4.14 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 33 D 8.82 4.38 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.08 4.00 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 1.26 0.00 0.00 35 G 7.95 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 36 H 8.42 4.11 0.00 3.40 3.39 0.00 5.62 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 37 Q 8.11 4.05 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 38 Q 8.40 4.03 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 39 A 8.36 3.99 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 40 A 8.14 3.99 1.44 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 41 A 8.21 4.00 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.41 3.92 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 43 G 8.26 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 44 R 8.40 4.13 0.00 2.06 2.06 0.00 3.17 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 1.69 1.90 0.00 45 Y 8.13 4.19 0.00 3.02 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 46 L 8.10 4.49 0.00 1.98 2.03 1.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.94 4.07 0.00 2.08 2.35 0.00 1.31 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.41 7.81 48 D 7.92 4.82 0.00 2.62 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 49 L 7.46 4.16 0.00 1.06 0.80 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.24 4.43 0.00 2.93 3.11 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.43 4.81 0.00 3.11 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 52 T 8.60 4.15 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 1.13 0.00 0.00 53 N 8.01 4.94 0.00 2.77 2.48 0.00 0.00 6.54 7.68 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 54 V 7.63 4.60 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 0.93 0.00 0.00 0.83 0.00 0.00 55 F 9.35 5.63 0.00 3.12 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 56 V 9.02 5.01 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 0.86 0.00 0.00 0.99 0.00 0.00 57 S 8.25 4.81 0.00 3.81 3.85 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 58 N 8.72 4.57 0.00 2.87 3.07 0.00 0.00 5.95 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 59 L 7.72 4.51 0.00 1.76 1.58 0.76 0.82 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 60 Q 9.49 3.95 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 61 R 8.01 3.95 0.00 1.96 2.27 0.00 2.69 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.33 0.00 62 A 7.80 3.95 1.26 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 63 I 7.77 3.61 1.97 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 0.81 0.90 0.00 0.00 64 Q 8.55 4.14 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 65 T 7.71 3.82 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 1.21 0.00 0.00 66 A 8.21 3.94 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 67 E 8.43 3.91 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 68 I 7.85 3.76 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 1.56 0.79 0.99 0.00 0.00 69 I 7.72 3.74 1.97 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 1.56 0.59 0.95 0.00 0.00 70 L 8.30 4.33 0.00 1.70 1.75 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.35 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 0.00 0.00 0.00 72 N 8.00 4.60 0.00 2.88 2.92 0.00 0.00 6.97 8.03 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 73 N 7.45 4.69 0.00 3.01 2.91 0.00 0.00 7.12 7.88 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 74 L 8.57 4.41 0.00 1.48 1.51 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.88 4.86 0.00 3.04 3.18 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.98 4.94 0.00 3.99 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 77 S 8.32 4.10 0.00 3.98 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 78 A 7.85 4.27 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 79 T 7.60 4.19 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 1.24 0.00 0.00 80 E 8.48 4.29 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 81 M 8.47 4.15 0.00 2.02 1.98 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 2.52 2.54 0.00 82 I 8.61 4.41 2.09 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 1.09 0.96 1.11 0.00 0.00 83 L 8.56 4.72 0.00 1.52 1.62 0.92 1.00 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 84 D 9.51 4.81 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.52 0.00 2.19 2.07 0.00 3.94 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 2.11 2.07 0.00 86 L 8.29 4.06 0.00 1.77 1.82 0.99 1.28 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 87 L 7.48 3.25 0.00 1.43 1.22 0.65 -0.30 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 88 R 7.21 3.87 0.00 1.78 2.01 0.00 3.04 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 89 E 7.95 4.03 0.00 1.64 1.72 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 2.65 2.34 0.00 90 R 8.57 3.87 0.00 1.73 1.50 0.00 3.28 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.42 0.00 91 G 8.96 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.58 4.95 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 93 G 7.80 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 94 V 9.03 3.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.05 0.00 0.00 95 A 8.20 4.36 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.97 4.26 0.00 2.20 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 2.47 2.56 0.00 97 G 9.41 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 98 R 7.50 4.46 0.00 2.00 1.78 0.00 3.26 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 99 P 0.00 4.56 0.00 2.15 1.96 0.00 3.55 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 2.08 2.07 0.00 100 K 8.86 3.94 0.00 1.74 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.57 7.81 101 E 8.12 4.01 0.00 1.96 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 2.38 2.29 0.00 102 H 8.18 4.10 0.00 3.23 3.50 0.00 5.79 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 0.00 103 L 7.91 3.91 0.00 1.78 1.82 1.12 0.71 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 0.00 104 K 7.63 3.79 0.00 1.87 1.97 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 105 N 8.11 4.27 0.00 2.87 2.79 0.00 0.00 7.09 7.12 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 0.00 106 M 7.96 3.87 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 107 A 7.57 2.74 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 0.00 108 N 7.82 4.14 0.00 2.81 2.82 0.00 0.00 6.98 7.87 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 0.00 109 A 7.75 3.93 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 0.00 110 A 7.64 4.34 1.40 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 0.00 111 G 8.02 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.62 4.55 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 113 S 8.19 4.43 0.00 4.01 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 0.00 114 C 8.52 4.26 0.00 2.98 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.37 4.17 0.00 1.72 1.99 0.00 3.15 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 1.66 1.64 0.00 116 D 7.67 4.66 0.00 2.69 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 0.00 117 Y 7.37 4.69 0.00 3.18 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 0.00 118 T 7.45 4.53 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 1.12 0.00 0.00 119 P 0.00 4.42 0.00 2.30 2.36 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 120 P 0.00 4.37 0.00 2.23 2.05 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 121 G 9.03 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 0.00 0.00 0.00 122 G 7.64 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.48 4.99 0.00 1.70 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 124 T 8.86 4.35 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 125 L 8.64 3.91 0.00 1.73 1.70 0.91 0.73 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 0.00 126 E 8.12 3.90 0.00 2.10 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 2.37 2.45 0.00 127 Q 8.04 3.98 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 128 V 7.66 3.64 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 1.00 0.00 0.00 1.00 0.00 0.00 129 K 8.24 3.88 0.00 1.89 1.91 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.44 7.81 130 T 8.30 3.88 4.42 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 1.20 0.00 0.00 131 R 7.95 3.98 0.00 2.31 2.31 0.00 3.16 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 1.70 1.91 0.00 132 F 8.34 4.50 0.00 2.72 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.44 3.64 0.00 1.91 1.75 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.49 7.81 134 M 8.19 3.97 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.50 0.00 135 F 8.55 3.97 0.00 3.06 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 0.00 136 L 7.62 2.89 0.00 1.16 0.69 0.75 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.39 3.56 0.00 1.64 1.74 0.00 1.56 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 138 S 7.59 3.87 0.00 3.77 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 0.00 139 L 7.37 3.26 0.00 0.30 0.91 0.36 0.87 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 0.00 140 F 7.84 4.43 0.00 2.90 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 0.00 141 Q 7.88 3.96 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 142 R 8.03 3.86 0.00 1.92 1.94 0.00 3.48 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 143 M 8.25 4.02 0.00 1.54 1.76 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.52 0.00 144 F 8.46 3.93 0.00 3.29 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 0.00 145 E 8.13 3.96 0.00 2.24 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 2.39 2.41 0.00 146 E 7.95 3.97 0.00 1.88 1.77 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 1.85 2.19 0.00 147 H 8.15 4.68 0.00 3.15 3.22 0.00 5.72 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 0.00 148 G 7.86 2.40 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 *160 Q 8.48 3.97 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 161 P 0.00 4.48 0.00 1.98 1.95 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 162 V 8.34 3.83 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 0.98 0.00 0.00 0.93 0.00 0.00 163 I 8.50 4.43 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.96 0.98 0.00 0.00 164 A 9.38 4.51 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 0.00 165 G 8.61 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 0.00 0.00 0.00 166 L 7.92 4.78 0.00 1.76 1.49 0.91 0.89 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 0.00 167 A 8.22 3.72 0.47 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 0.00 0.00 0.00 0.00 0.00 0.00 168 D 7.87 4.80 0.00 2.83 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 0.00 169 D 7.85 4.66 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 178 A 9.91 5.39 1.62 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 0.00 179 L 8.86 4.99 0.00 0.57 1.10 0.67 0.34 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 0.00 180 M 9.34 5.35 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 181 V 8.78 4.76 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 0.95 0.00 0.00 0.88 0.00 0.00 182 S 8.99 4.31 0.00 3.77 3.57 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 0.00 183 H 8.91 5.28 0.00 3.34 3.37 0.00 5.69 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 0.00 184 G 8.99 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.76 4.09 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.86 3.94 0.00 3.24 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 0.00 187 I 8.37 3.60 1.99 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 1.52 0.66 0.95 0.00 0.00 188 R 8.14 3.90 0.00 2.07 2.05 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 189 I 7.76 3.66 1.75 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 1.48 0.66 0.78 0.00 0.00 190 S 7.59 3.30 0.00 3.14 2.63 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 0.00 191 V 7.94 3.46 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 1.15 0.00 0.00 1.07 0.00 0.00 192 R 8.01 4.24 0.00 2.07 2.06 0.00 3.06 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 193 H 8.20 4.40 0.00 3.33 3.53 0.00 5.89 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 0.00 194 L 8.01 3.93 0.00 1.58 1.38 0.04 0.97 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 0.00 195 V 7.81 3.84 2.37 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 0.90 0.00 0.00 1.11 0.00 0.00 196 E 8.39 4.37 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 197 D 7.97 4.46 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 6.86 4.57 0.00 1.88 1.61 1.02 0.92 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 0.00 199 Q 8.42 4.04 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 200 C 8.38 4.97 0.00 3.13 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 0.00 201 C 9.15 4.85 0.00 2.98 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 0.00 202 L 8.25 5.10 0.00 1.44 1.46 0.84 0.94 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 0.00 203 P 0.00 4.62 0.00 2.09 2.15 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 204 A 8.74 3.95 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 0.00 205 G 8.89 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 0.00 0.00 0.00 206 L 7.20 4.28 0.00 1.61 1.55 0.89 0.51 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 0.00 207 K 8.37 4.24 0.00 1.80 1.71 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.47 7.81 208 M 8.67 3.94 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 209 N 8.14 4.45 0.00 2.72 2.92 0.00 0.00 6.84 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 7.97 4.07 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 211 V 7.40 3.43 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.73 0.00 0.00 212 F 7.51 5.00 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 0.00 213 S 7.07 4.47 0.00 3.98 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 0.00 214 P 0.00 4.41 0.00 2.23 2.13 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 215 C 8.52 4.40 0.00 3.06 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 0.00 216 P 0.00 4.55 0.00 2.25 2.17 0.00 3.79 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 2.08 1.98 0.00 217 N 8.83 4.50 0.00 2.72 2.97 0.00 0.00 7.29 7.54 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 0.00 218 T 8.66 3.58 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 1.27 0.00 0.00 219 G 8.18 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 0.00 220 I 8.98 5.34 2.15 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 1.34 1.06 1.30 0.00 0.00 221 S 9.44 5.24 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 R 8.05 5.06 0.00 1.18 0.66 0.00 3.19 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.72 0.00 223 F 9.29 5.05 0.00 2.93 2.38 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 0.00 224 I 8.72 4.78 1.76 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 1.13 0.91 0.91 0.00 0.00 225 F 8.84 5.07 0.00 1.72 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 0.00 226 T 8.88 5.12 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 0.00 227 I 9.21 4.93 1.98 0.00 0.00 -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 1.24 1.03 0.68 0.00 0.00 228 H 9.39 5.01 0.00 3.01 3.12 0.00 5.80 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 0.00 229 R 8.47 4.25 0.00 1.02 1.79 0.00 3.35 0.00 0.00 2.90 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 230 E 9.52 4.07 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 231 E 8.02 4.61 0.00 1.94 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 2.27 2.27 0.00 232 S 8.50 3.92 0.00 4.15 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 0.00 233 V 7.21 4.37 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 0.94 0.00 0.00 0.95 0.00 0.00 234 L 8.50 4.83 0.00 1.50 1.49 0.87 -0.07 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 0.00 235 R 9.19 4.61 0.00 1.76 1.69 0.00 3.08 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 236 A 8.65 4.33 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 0.00 237 T 9.04 4.14 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 238 R 7.80 4.71 0.00 1.82 1.67 0.00 3.08 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 239 I 8.29 4.70 1.95 0.00 0.00 1.00 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 0.67 0.53 0.00 0.00 240 Q 8.96 4.81 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 241 G 8.92 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 0.00 0.00 0.00 242 V 7.96 4.36 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 0.99 0.00 0.00 0.76 0.00 0.00 243 F 6.83 5.04 0.00 3.09 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 0.00 244 I 7.93 4.69 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 0.99 0.00 0.00 245 N 9.26 4.24 0.00 2.88 2.93 0.00 0.00 7.01 7.41 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 0.00 246 R 8.51 4.14 0.00 1.80 1.97 0.00 2.41 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 247 K 8.17 4.73 0.00 1.76 1.85 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.35 7.81 248 D 8.24 4.23 0.00 2.39 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 0.00 249 H 7.60 4.28 0.00 3.32 3.00 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 250 L 7.41 4.27 0.00 1.63 1.66 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 251 E 7.77 4.23 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.