NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6418 8.2233 120.5283 54.7336 43.2087 177.6136 4 T 3.6592 7.9879 114.6628 65.8182 68.9522 170.5915 5 V 3.7316 8.6713 121.9381 65.8490 32.8029 177.5806 6 K 3.8858 8.1656 117.5751 59.2492 31.8993 177.2776 7 N 4.8122 7.9411 113.3211 52.6942 38.7278 175.4205 8 R 4.2382 7.6915 115.8108 56.1575 30.2510 176.0463 9 R 4.7048 7.9298 114.4812 54.6752 32.3271 174.8134 10 T 4.2328 8.4085 110.1569 61.6769 69.5612 173.7440 11 I 4.5842 8.4146 125.7610 59.7313 39.3075 175.7205 12 R 4.3804 9.2317 122.5578 55.3260 32.1090 175.6268 13 K 4.3476 7.3784 117.8539 54.4545 34.9030 174.7255 14 Y 5.4363 8.2398 121.2185 56.1062 41.6521 175.3535 15 Q 4.4361 9.3796 121.7575 55.6491 29.4887 176.7237 16 Q 4.1136 8.7222 118.6667 58.0290 29.0835 177.2330 17 K 3.7308 8.0597 119.0025 56.8439 32.3591 175.7149 18 D 4.6794 8.5187 125.2254 53.6613 42.2475 175.0775 19 I 4.5166 8.0322 123.5509 59.6630 38.1326 176.8088 20 T 4.0386 8.4558 116.6817 61.3296 70.5082 173.1241 21 P 4.2374 0.0000 0.0000 65.9276 31.3114 178.6787 22 D 4.3192 8.0585 117.0873 57.2636 40.7569 178.3504 23 L 3.9155 7.7005 120.1080 58.1574 42.1304 178.6180 24 L 4.0240 8.0541 120.2172 58.5132 42.0454 178.8043 25 N 4.3470 8.7529 116.6434 55.9589 38.3949 177.0411 26 D 4.2365 8.3145 119.7735 57.2599 41.2977 178.1170 27 L 3.9238 8.1277 119.7117 57.8475 41.7007 179.5281 28 L 3.8144 7.9822 119.9377 57.1692 41.3597 178.9263 29 E 3.6486 7.8853 118.2766 59.6754 29.7289 178.8457 30 T 4.0386 7.9361 109.7751 64.7623 68.7018 176.6898 31 S 4.2567 8.1841 117.4138 61.1740 62.6139 176.0990 32 F 4.9057 7.6291 120.7778 58.7780 38.7674 176.8679 33 R 4.2116 8.3018 117.3635 56.5771 30.3024 176.6792 34 A 4.1765 7.2335 121.9873 51.7826 19.0257 177.5493 35 S 4.3798 8.3823 115.8179 59.6129 65.0873 173.1882 36 T 5.0192 8.1520 116.7933 62.8979 70.6869 175.2398 *38 G 3.7190 9.3042 103.9711 44.5014 0.0000 172.1547 39 G 3.5957 8.0271 111.8941 45.6384 0.0000 173.7981 *41 Q 3.8634 7.7615 122.4898 56.3121 29.9102 175.5997 42 L 4.3474 8.8151 126.6292 52.8187 40.7192 175.7947 43 Y 5.4189 6.5604 115.7525 56.2064 42.1422 174.9228 44 S 4.7304 9.2731 115.2539 56.9093 67.9692 173.2156 45 V 4.6161 8.3238 121.4094 61.1538 33.8739 174.6615 46 V 4.1322 8.5207 128.5704 61.5999 33.1688 174.4466 47 V 4.4355 8.2991 127.8100 61.5569 33.0952 174.6703 48 T 4.4790 8.9275 125.6940 62.2890 69.7511 175.1308 49 R 4.4347 8.5732 125.2193 56.6076 32.9242 176.9297 50 D 4.4452 7.9212 117.3659 53.5173 42.6018 176.1394 51 A 3.9918 8.7098 128.9706 55.7248 18.3226 179.6029 52 E 3.9093 8.1707 116.2567 59.4617 29.5032 179.7027 53 K 4.0243 7.7367 117.9538 59.2019 32.0746 179.5722 54 K 3.9608 8.2522 118.8921 59.4764 31.7631 178.8752 55 E 3.9463 8.1312 117.8694 59.9597 29.5074 179.4897 56 I 3.8986 7.3466 118.2417 64.2411 37.5888 178.1762 57 L 4.1564 7.9629 119.8236 57.1807 41.3343 179.0664 58 S 4.1660 8.2479 113.7039 61.2809 62.3898 174.7098 59 P 4.2133 0.0000 0.0000 65.2240 30.8266 178.4038 60 A 3.9031 7.6784 118.6930 54.2922 18.5953 178.0997 61 H 5.0421 7.7948 115.2919 54.8688 30.2739 174.8580 62 F 3.6340 8.0857 115.6003 58.6582 37.0025 175.4405 63 N 4.5486 8.5538 113.0247 53.2600 36.5456 174.8645 64 Q 4.1018 7.9722 117.2134 55.5640 29.7681 176.7301 65 P 4.5031 0.0000 0.0000 62.7781 29.9071 177.4171 *67 V 3.9912 7.6035 119.2833 63.6819 33.4738 176.2409 68 K 4.2430 8.0219 116.6544 58.5108 32.3721 177.8788 69 E 4.2385 8.3328 117.1079 57.7817 29.9186 176.8789 70 A 3.9296 7.8242 121.7588 50.6663 19.1983 175.5644 71 P 4.4472 0.0000 0.0000 65.1384 32.2183 176.9337 72 V 4.6009 7.6490 119.4030 60.7454 35.2723 174.6063 73 V 4.7306 8.7651 126.6066 61.0582 34.6225 173.8433 74 L 4.8998 9.1112 127.9691 53.1456 44.4864 175.4915 75 T 4.7727 8.2961 120.8288 61.9723 70.4757 173.5569 76 F 4.8173 9.4101 127.2430 56.6519 40.6392 174.9152 77 C 5.4727 9.3593 121.6326 57.4551 31.5413 173.5452 78 A 4.8291 9.1182 125.6892 52.0282 19.3922 176.4290 79 D 5.1067 9.3910 122.5410 52.7512 43.7654 175.3549 80 F 4.6965 9.6231 124.7037 57.3656 39.4269 177.8447 81 R 3.9671 8.1022 119.8809 59.4218 29.9964 177.9935 82 R 3.8865 8.4868 118.6016 59.5913 30.0258 178.1960 83 F 4.2019 8.2922 119.8345 61.6030 39.4378 176.6841 84 C 4.2568 8.6422 116.4480 62.6178 27.9040 176.2202 85 K 4.1296 8.4931 120.5645 59.5660 31.7657 178.4883 86 Y 4.2883 8.1804 120.0118 61.2004 38.6196 178.0535 87 C 3.7646 7.8970 117.4933 63.0023 27.9863 176.3075 88 Q 4.0148 7.9057 118.3026 58.2768 28.3483 177.5288 89 E 4.4892 7.7878 117.1682 56.3270 29.8455 176.5126 90 R 4.5158 6.8498 117.1234 55.8153 31.5817 174.4691 91 N 4.0547 8.3709 112.3016 54.8374 37.4185 173.4452 92 A 4.5517 7.8891 117.9289 49.9947 21.6214 176.8531 93 V 3.9999 8.2162 122.8939 60.6658 31.3342 173.7352 94 P 4.4240 0.0000 0.0000 62.3301 32.7868 176.6039 95 G 3.8998 6.9963 106.8023 45.0935 0.0000 172.2542 96 Y 4.7075 6.8729 110.1723 56.9346 39.5699 178.2124 97 G 3.9368 7.7355 111.4653 42.9355 0.0000 172.5887 98 N 5.0945 7.5279 117.0034 52.4265 40.5845 176.9966 99 L 4.1241 8.3759 119.5426 55.2497 41.5391 179.1694 *101 S 4.6579 8.2372 114.7390 58.2626 65.1372 176.0029 102 F 3.4044 8.4028 121.8046 61.0776 38.7379 176.8748 103 L 3.5496 8.0291 118.6409 58.0498 41.9343 178.2126 104 N 4.3965 8.1096 114.4034 56.5176 38.7887 176.7719 105 A 4.0077 8.4604 122.0928 54.7433 18.2778 179.8485 106 A 3.9476 7.6408 115.9959 53.0901 17.9412 178.9558 *108 D 4.4913 8.0017 121.5801 56.2047 43.2323 178.3194 109 T 3.8083 8.0537 115.7370 66.6616 68.3981 176.8110 110 L 3.9487 8.1703 121.2171 57.6547 41.5740 179.5125 111 L 3.9453 7.7646 118.4986 57.7027 41.5752 179.6744 112 V 3.4175 7.4232 117.2977 65.8144 31.4621 177.6969 113 A 2.6892 7.7988 120.9115 55.0471 18.0278 179.4812 114 Q 4.2845 8.3584 119.5400 59.0374 29.0492 178.3697 115 T 3.8174 7.8924 116.9118 66.4959 68.3988 176.1957 116 F 3.9994 8.5875 122.9090 61.6250 39.3239 176.9876 117 C 3.8512 8.2038 116.2240 63.0148 27.8330 176.3306 118 T 3.8074 7.9991 117.3835 66.5809 68.0686 176.8938 119 L 3.8345 8.1129 121.0872 57.4739 41.6238 179.2356 120 A 3.6352 7.9786 121.5536 55.1732 18.1551 179.5789 121 E 4.2815 8.1089 118.4728 59.0917 29.3225 179.1639 122 E 3.8708 8.0736 118.0330 59.0369 29.7034 177.9018 123 A 4.3153 7.6380 117.9692 52.2318 18.5501 177.9383 124 G 3.8746 8.1108 106.1880 45.3221 0.0000 173.6449 125 L 4.4560 7.7787 119.5764 53.1437 44.3136 175.6441 126 G 4.5359 9.3846 108.9940 44.6622 0.0000 172.6850 127 I 5.4092 8.2043 115.1312 59.2584 41.9887 173.7315 128 C 5.0350 8.9773 123.2282 58.3425 35.0583 172.7822 129 Y 4.7865 9.0408 124.0542 57.9751 39.2448 174.5642 130 L 4.9373 9.1744 123.5831 53.0717 43.5068 177.7410 131 G 3.9719 9.1162 111.5509 46.6422 0.0000 174.2752 132 T 4.4358 8.2167 111.7223 64.3481 68.4582 176.0646 133 T 4.0950 7.7682 119.1611 66.8612 68.6854 175.4006 134 T 4.5264 7.6184 107.5129 62.3776 69.2982 175.7580 135 Y 4.2912 8.0625 119.9046 60.0565 39.3819 175.9113 136 N 5.2007 8.1627 114.9743 51.7336 39.4143 173.5347 137 P 4.3179 0.0000 0.0000 65.9564 32.0323 179.7511 138 Q 4.1419 7.8693 119.7271 55.7205 28.4083 177.9061 *140 I 4.0423 7.9500 118.4976 61.0030 39.4840 178.0765 141 I 3.6415 8.2447 121.1686 64.6236 37.5473 178.1886 142 D 4.2372 8.5280 120.0341 57.3150 40.9413 178.7110 143 A 3.9560 8.0377 120.4102 55.0245 18.3805 178.0878 144 L 4.3592 7.9978 112.4163 54.1710 42.3041 176.2286 145 H 4.0021 7.2603 113.7898 56.6888 26.5750 175.6058 146 L 4.2031 7.9550 118.8755 53.7821 42.1790 176.2522 147 P 4.6777 0.0000 0.0000 60.8736 33.5916 174.3954 148 E 3.9375 8.4495 118.4243 58.2756 29.8378 176.7230 149 L 2.9819 9.1210 124.1087 54.8231 39.6625 173.7971 150 V 5.1769 7.6169 117.8369 61.1047 34.1662 174.6742 151 F 5.0195 9.4055 128.7187 56.0800 43.1530 171.3201 152 P 4.7774 0.0000 0.0000 63.2822 31.5534 175.4057 153 I 4.5961 8.9619 125.0143 63.1215 38.6345 175.6405 154 T 4.9243 7.8109 113.9947 61.3461 71.3367 171.9082 155 T 5.3262 8.7173 120.3326 61.7593 72.6775 173.0994 156 V 4.8967 9.4056 126.1209 61.2303 34.7645 174.1038 157 T 4.8856 8.9655 118.3704 60.4009 71.0383 173.8394 158 V 5.0820 7.3667 123.4811 60.9810 35.6203 173.9893 159 G 3.8582 7.9061 112.3366 45.8619 0.0000 171.4581 160 Y 4.5866 8.2567 117.4146 56.8748 39.1676 174.0488 161 P 4.7360 0.0000 0.0000 62.5125 32.0437 176.0105 162 A 4.9426 8.9943 125.9472 51.2505 19.8272 175.5133 163 E 4.6719 7.8965 114.1244 56.7421 32.5602 175.2654 164 S 4.5465 8.0507 113.5069 55.8601 62.3408 171.5825 165 P 4.4987 0.0000 0.0000 61.2429 32.4869 177.1593 166 K 4.0746 8.2509 120.8345 56.1136 32.7850 176.4738 167 Q 4.1197 8.4200 126.6734 55.9913 29.6771 176.2444 168 V 3.9747 8.1045 118.3263 60.5865 32.5448 175.7626 169 D 4.7232 8.3849 121.6180 53.4994 40.0979 175.6267 170 R 4.7114 7.9902 117.6249 53.9981 33.9650 175.5864 171 L 4.0869 8.1456 119.8262 53.5049 42.4835 175.5333 172 P 4.2770 0.0000 0.0000 62.9224 31.6507 177.6150 173 I 3.7165 8.2987 115.1800 63.6165 37.2415 178.0816 174 E 4.0123 8.1663 118.5727 58.8951 29.4559 178.5417 175 G 3.8416 8.0518 105.6476 46.3003 0.0000 174.3068 176 I 4.2990 7.4525 120.0720 62.2284 38.8522 176.0631 177 I 4.2585 7.7885 120.9084 60.3182 37.9829 174.8092 178 H 4.7364 8.5824 121.3385 53.8631 31.2682 173.0343 179 E 4.2541 8.8567 124.2814 56.2452 29.7820 176.4321 180 E 4.2123 9.4774 127.9819 57.2143 28.7476 174.6818 181 S 4.6007 7.3453 109.2822 56.4570 65.9472 172.7903 182 Y 3.6982 8.4564 122.7849 57.8605 38.7059 174.8716 183 H 4.5894 8.2443 125.1637 53.7124 28.9403 174.2340 184 D 4.4805 8.4255 123.9657 54.3758 41.7293 175.0845 185 Y 4.5955 8.4347 121.6409 57.3306 39.0269 176.6554 186 T 4.4323 8.7957 115.9145 60.5842 71.7140 175.7548 187 A 4.0443 8.4012 122.1435 55.1738 18.3114 179.3913 188 E 3.9046 8.1588 117.5061 59.3618 29.7278 178.4294 189 D 4.4413 8.2871 118.9556 57.6035 41.0094 178.7868 190 I 3.8802 7.9631 119.9676 64.7539 36.6898 178.2711 191 N 4.4221 8.5444 117.4519 56.2032 38.1149 177.5128 192 R 3.9347 7.9730 119.0577 59.5698 30.3598 178.2494 193 L 4.0921 8.1735 117.6914 57.5047 41.9741 178.2533 194 Y 4.3881 8.2311 114.0126 57.7288 38.0096 177.3000 195 A 4.0626 7.5510 122.2186 55.5155 18.8908 178.9292 196 Y 4.1366 7.9913 117.2964 60.6517 38.8633 177.4965 197 K 3.7514 8.2726 120.1398 59.9724 31.9873 178.3192 198 E 4.1085 8.2027 117.0563 58.8413 29.4458 178.8014 199 S 4.3091 7.5829 112.7735 58.8117 63.8893 174.3520 200 L 4.0951 7.0794 124.6669 53.6081 42.2541 176.0815 201 P 4.2779 0.0000 0.0000 65.8472 31.2511 178.6692 202 E 3.9940 8.0960 116.9348 59.4722 29.5524 178.8562 203 N 4.6025 8.0717 115.9437 55.9323 38.8072 177.5905 204 K 4.0760 8.0920 120.1419 59.1026 32.0803 179.2062 205 L 3.9407 8.1462 120.7700 58.1820 41.6566 178.5497 206 F 4.5964 8.1147 121.8129 60.8322 39.1215 177.3050 207 I 3.6019 7.6660 118.7876 64.2874 36.9781 178.0514 208 E 3.9173 8.1706 120.4328 59.0598 29.6980 177.9668 209 E 4.2139 8.8372 115.1256 57.3883 29.8882 177.1640 210 N 4.7706 7.2788 116.1717 52.3649 39.5829 174.1532 211 Q 3.4003 7.6196 116.1038 57.2234 26.6715 173.1471 212 K 4.5721 7.9166 115.4000 54.9395 35.0299 176.2467 213 E 4.4836 9.1569 118.9216 56.9738 30.7289 176.7948 214 T 4.7511 7.6317 106.9159 58.7719 72.3129 174.5466 215 L 4.0708 8.5478 123.7417 58.0666 42.1276 177.4077 216 P 4.4820 0.0000 0.0000 65.7717 31.2090 178.5165 217 Q 4.2263 7.8663 117.8251 58.2178 28.4218 178.9676 218 V 3.3772 7.7356 119.4454 65.8096 31.4685 178.1961 219 F 4.1347 8.2288 117.3777 60.7466 38.8070 177.6827 220 T 4.1705 8.5400 109.8408 64.4362 68.5667 176.0640 221 D 4.5770 8.3856 120.3230 54.5585 41.4921 176.5377 222 V 4.1068 7.3437 115.0087 64.5580 33.6472 176.8568 223 R 3.6458 8.0418 117.5714 58.8470 30.0125 177.6078 224 Y 4.8386 8.0177 116.7013 55.6983 38.4186 175.8632 225 T 4.7821 7.7596 115.3729 59.9971 71.7498 175.4137 226 K 3.9148 8.6357 123.3202 59.6686 32.1702 178.8771 227 K 3.9509 8.0699 119.1637 59.8050 31.9897 178.3090 228 D 4.4908 8.1189 117.6330 57.5572 40.8536 178.2037 229 N 4.5716 8.5212 116.2901 56.4102 38.8619 177.0891 230 E 4.2116 8.5688 120.1630 59.1882 29.4927 179.6148 231 F 3.8737 8.3007 117.0850 59.3389 39.3871 176.6536 *233 S 4.3500 7.9946 114.8218 58.2541 64.8444 176.1094 234 E 3.9154 8.0049 119.6335 59.2342 29.0217 178.8742 235 N 4.1467 8.1086 117.3473 56.3927 38.9807 176.6703 236 L 4.0065 7.7694 121.2466 58.2553 42.2981 178.7709 237 L 3.9950 7.7382 118.5117 57.6547 41.4797 179.7760 238 K 3.9648 7.9280 118.4854 59.5516 32.0431 179.6746 239 V 3.7473 8.3071 118.9043 65.6217 31.4228 178.0970 240 L 4.0051 8.4815 119.4815 57.8263 41.4639 179.3916 241 R 3.9164 8.1000 118.5948 59.4357 29.7619 178.4956 242 R 3.9618 7.8837 117.6801 59.1808 30.4272 177.6001 243 Q 4.4283 8.3243 115.8305 55.7159 28.6976 177.2669 244 G 3.8554 8.2044 109.6128 45.5468 0.0000 174.3038 245 F 4.6939 8.1699 118.0647 57.8976 39.0240 175.7841 *247 D 4.4079 8.0867 126.4946 54.7085 41.0233 175.4562 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 3 D 8.22 4.64 0.00 2.79 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 4 T 7.99 3.66 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 1.22 0.00 0.00 5 V 8.67 3.73 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 0.99 0.00 0.00 0.91 0.00 0.00 6 K 8.17 3.89 0.00 1.77 1.86 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 7 N 7.94 4.81 0.00 2.82 2.82 0.00 0.00 7.08 7.80 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 8 R 7.69 4.24 0.00 2.03 2.11 0.00 3.07 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 9 R 7.93 4.70 0.00 1.89 1.89 0.00 3.02 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 10 T 8.41 4.23 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 1.32 0.00 0.00 11 I 8.41 4.58 1.93 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 1.49 0.96 0.79 0.00 0.00 12 R 9.23 4.38 0.00 1.70 1.84 0.00 3.08 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 13 K 7.38 4.35 0.00 1.47 1.55 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.28 7.81 14 Y 8.24 5.44 0.00 2.90 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 15 Q 9.38 4.44 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 16 Q 8.72 4.11 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 17 K 8.06 3.73 0.00 1.56 1.62 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.08 1.21 7.81 18 D 8.52 4.68 0.00 2.69 2.58 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 19 I 8.03 4.52 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.92 0.00 0.00 20 T 8.46 4.04 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 1.24 0.00 0.00 21 P 0.00 4.24 0.00 2.18 2.16 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 22 D 8.06 4.32 0.00 2.70 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 23 L 7.70 3.92 0.00 1.80 1.82 0.92 0.83 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 24 L 8.05 4.02 0.00 1.82 1.67 1.01 0.51 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 25 N 8.75 4.35 0.00 2.78 2.85 0.00 0.00 6.70 8.11 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 26 D 8.31 4.24 0.00 2.95 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 27 L 8.13 3.92 0.00 2.05 1.66 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.98 3.81 0.00 1.49 1.19 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.89 3.65 0.00 1.92 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 2.34 2.41 0.00 30 T 7.94 4.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 31 S 8.18 4.26 0.00 4.36 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 0.00 32 F 7.63 4.91 0.00 3.27 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 33 R 8.30 4.21 0.00 2.00 2.02 0.00 3.38 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 34 A 7.23 4.18 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 35 S 8.38 4.38 0.00 3.87 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 36 T 8.15 5.02 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 1.25 0.00 0.00 *38 G 9.30 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.82 0.00 0.00 48 T 8.93 4.48 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 1.19 0.00 0.00 49 R 8.57 4.43 0.00 1.74 1.92 0.00 3.19 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 50 D 7.92 4.45 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.71 3.99 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 52 E 8.17 3.91 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 2.40 2.41 0.00 53 K 7.74 4.02 0.00 2.08 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.62 7.81 54 K 8.25 3.96 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.61 7.81 55 E 8.13 3.95 0.00 2.09 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 2.36 2.53 0.00 56 I 7.35 3.90 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0.00 0.00 0.00 7.43 7.59 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 65 P 0.00 4.50 0.00 2.36 2.28 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 *67 V 7.60 3.99 2.13 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 0.89 0.00 0.00 0.97 0.00 0.00 68 K 8.02 4.24 0.00 1.82 1.87 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 69 E 8.33 4.24 0.00 2.22 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 0.00 2.39 2.42 0.00 70 A 7.82 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.45 0.00 2.21 2.22 0.00 3.50 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 2.04 2.12 0.00 72 V 7.65 4.60 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 0.84 0.00 0.00 0.90 0.00 0.00 73 V 8.77 4.73 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 0.92 0.00 0.00 0.90 0.00 0.00 74 L 9.11 4.90 0.00 1.14 0.64 0.01 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.30 4.77 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 76 F 9.41 4.82 0.00 3.15 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 77 C 9.36 5.47 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 9.12 4.83 1.27 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 0.00 0.00 79 D 9.39 5.11 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.62 4.70 0.00 3.47 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.10 3.97 0.00 2.07 2.16 0.00 3.42 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 82 R 8.49 3.89 0.00 1.90 1.89 0.00 3.04 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 83 F 8.29 4.20 0.00 3.16 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 84 C 8.64 4.26 0.00 3.35 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.49 4.13 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.79 7.81 86 Y 8.18 4.29 0.00 2.85 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 87 C 7.90 3.76 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 88 Q 7.91 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 89 E 7.79 4.49 0.00 2.12 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 2.51 2.51 0.00 90 R 6.85 4.52 0.00 1.57 1.64 0.00 3.42 0.00 0.00 3.12 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8.05 3.81 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 1.38 0.00 0.00 110 L 8.17 3.95 0.00 1.60 1.65 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.76 3.95 0.00 1.84 1.66 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.42 3.42 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 1.15 0.00 0.00 0.09 0.00 0.00 113 A 7.80 2.69 0.71 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 0.00 0.00 114 Q 8.36 4.28 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 115 T 7.89 3.82 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 1.20 0.00 0.00 116 F 8.59 4.00 0.00 3.16 3.21 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 0.00 117 C 8.20 3.85 0.00 3.21 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 0.00 118 T 8.00 3.81 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 1.17 0.00 0.00 119 L 8.11 3.83 0.00 1.54 1.54 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.98 3.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.11 4.28 0.00 2.01 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 2.41 2.19 0.00 122 E 8.07 3.87 0.00 2.02 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 2.29 2.34 0.00 123 A 7.64 4.32 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 0.00 124 G 8.11 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 0.00 125 L 7.78 4.46 0.00 1.48 1.37 0.71 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.38 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 0.00 0.00 0.00 0.00 127 I 8.20 5.41 1.85 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 1.22 0.85 0.89 0.00 0.00 128 C 8.98 5.03 0.00 3.34 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 0.00 129 Y 9.04 4.79 0.00 2.96 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 0.00 130 L 9.17 4.94 0.00 1.63 1.69 0.73 1.06 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 0.00 131 G 9.12 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 0.00 0.00 0.00 132 T 8.22 4.44 4.65 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 1.35 0.00 0.00 133 T 7.77 4.10 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 1.40 0.00 0.00 134 T 7.62 4.53 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 135 Y 8.06 4.29 0.00 3.48 3.46 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 0.00 136 N 8.16 5.20 0.00 2.83 2.70 0.00 0.00 7.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.32 0.00 1.82 2.10 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 138 Q 7.87 4.14 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 *140 I 7.95 4.04 1.93 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 1.37 0.52 0.90 0.00 0.00 141 I 8.24 3.64 1.93 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.99 0.00 0.00 142 D 8.53 4.24 0.00 2.64 2.66 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 0.00 143 A 8.04 3.96 1.23 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 0.00 0.00 144 L 8.00 4.36 0.00 1.67 1.70 0.91 1.41 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 0.00 145 H 7.26 4.00 0.00 3.33 3.35 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.95 4.20 0.00 1.66 1.66 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.68 0.00 2.23 2.23 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 148 E 8.45 3.94 0.00 1.93 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 2.23 2.49 0.00 149 L 9.12 2.98 0.00 1.88 1.81 0.94 0.15 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 0.00 150 V 7.62 5.18 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 0.89 0.00 0.00 1.07 0.00 0.00 151 F 9.41 5.02 0.00 3.59 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 0.00 152 P 0.00 4.78 0.00 2.16 2.05 0.00 2.62 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 153 I 8.96 4.60 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.92 0.98 0.00 0.00 154 T 7.81 4.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 155 T 8.72 5.33 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 1.24 0.00 0.00 156 V 9.41 4.90 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 0.79 0.00 0.00 0.44 0.00 0.00 157 T 8.97 4.89 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 158 V 7.37 5.08 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 1.17 0.00 0.00 1.06 0.00 0.00 159 G 7.91 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 0.00 0.00 0.00 160 Y 8.26 4.59 0.00 3.06 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 0.00 161 P 0.00 4.74 0.00 1.98 2.02 0.00 3.77 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 2.08 2.14 0.00 162 A 8.99 4.94 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 0.00 163 E 7.90 4.67 0.00 1.99 1.82 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 2.05 2.23 0.00 164 S 8.05 4.55 0.00 3.78 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 0.00 165 P 0.00 4.50 0.00 2.20 2.01 0.00 3.81 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 166 K 8.25 4.07 0.00 1.73 1.74 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 167 Q 8.42 4.12 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 168 V 8.10 3.97 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 0.77 0.00 0.00 0.94 0.00 0.00 169 D 8.38 4.72 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.99 4.71 0.00 1.73 1.78 0.00 3.35 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 171 L 8.15 4.09 0.00 1.49 1.40 0.62 0.20 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 0.00 172 P 0.00 4.28 0.00 2.20 2.11 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 173 I 8.30 3.72 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.02 0.87 0.00 0.00 174 E 8.17 4.01 0.00 2.10 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 2.24 2.29 0.00 175 G 8.05 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 0.00 176 I 7.45 4.30 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.93 0.00 0.00 177 I 7.79 4.26 1.89 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 1.29 0.56 0.89 0.00 0.00 178 H 8.58 4.74 0.00 3.04 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.86 4.25 0.00 1.97 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 2.27 2.30 0.00 180 E 9.48 4.21 0.00 2.15 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 2.21 2.23 0.00 181 S 7.35 4.60 0.00 3.88 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 0.00 182 Y 8.46 3.70 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 H 8.24 4.59 0.00 2.95 3.11 0.00 5.96 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.43 4.48 0.00 2.74 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 0.00 185 Y 8.43 4.60 0.00 3.11 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 0.00 186 T 8.80 4.43 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 1.24 0.00 0.00 187 A 8.40 4.04 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 0.00 188 E 8.16 3.90 0.00 2.07 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 2.40 2.42 0.00 189 D 8.29 4.44 0.00 3.17 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 0.00 190 I 7.96 3.88 2.06 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 1.77 1.11 0.86 0.00 0.00 191 N 8.54 4.42 0.00 2.76 2.91 0.00 0.00 6.72 7.94 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 0.00 192 R 7.97 3.93 0.00 1.95 2.16 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 193 L 8.17 4.09 0.00 1.70 1.50 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 8.23 4.39 0.00 3.20 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 0.00 195 A 7.55 4.06 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 0.00 196 Y 7.99 4.14 0.00 3.06 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 0.00 197 K 8.27 3.75 0.00 1.89 2.11 0.00 2.14 0.00 0.00 1.99 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.73 7.81 198 E 8.20 4.11 0.00 2.25 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 2.42 2.58 0.00 199 S 7.58 4.31 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 L 7.08 4.10 0.00 1.57 1.69 0.88 0.50 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 0.00 201 P 0.00 4.28 0.00 2.14 2.10 0.00 3.55 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 2.10 2.17 0.00 202 E 8.10 3.99 0.00 2.02 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 2.37 2.44 0.00 203 N 8.07 4.60 0.00 2.97 2.97 0.00 0.00 7.15 6.90 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 0.00 204 K 8.09 4.08 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.64 7.81 205 L 8.15 3.94 0.00 1.90 1.88 0.97 0.75 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 0.00 206 F 8.11 4.60 0.00 3.23 3.30 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 0.00 207 I 7.67 3.60 2.04 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 1.43 0.71 0.91 0.00 0.00 208 E 8.17 3.92 0.00 2.14 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 0.00 2.29 2.30 0.00 209 E 8.84 4.21 0.00 2.12 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 0.00 2.60 2.25 0.00 210 N 7.28 4.77 0.00 2.63 2.59 0.00 0.00 6.96 7.57 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 0.00 211 Q 7.62 3.40 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 212 K 7.92 4.57 0.00 1.71 1.84 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.37 7.81 213 E 9.16 4.48 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 214 T 7.63 4.75 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 0.00 215 L 8.55 4.07 0.00 1.91 1.82 1.37 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 216 P 0.00 4.48 0.00 2.20 2.06 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 217 Q 7.87 4.23 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 218 V 7.74 3.38 1.71 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 -0.05 0.00 0.00 0.59 0.00 0.00 219 F 8.23 4.13 0.00 3.37 3.31 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 0.00 220 T 8.54 4.17 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 1.32 0.00 0.00 221 D 8.39 4.58 0.00 2.64 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 0.00 222 V 7.34 4.11 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 0.68 0.00 0.00 0.77 0.00 0.00 223 R 8.04 3.65 0.00 1.46 0.81 0.00 3.04 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 224 Y 8.02 4.84 0.00 3.05 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 0.00 225 T 7.76 4.78 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 1.25 0.00 0.00 226 K 8.64 3.91 0.00 1.89 1.90 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.63 1.55 7.81 227 K 8.07 3.95 0.00 1.89 1.82 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.59 7.81 228 D 8.12 4.49 0.00 2.95 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 0.00 229 N 8.52 4.57 0.00 2.87 2.94 0.00 0.00 7.12 7.30 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 0.00 230 E 8.57 4.21 0.00 2.28 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 2.36 2.49 0.00 231 F 8.30 3.87 0.00 3.23 3.24 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 *233 S 7.99 4.35 0.00 4.08 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 0.00 234 E 8.00 3.92 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 235 N 8.11 4.15 0.00 2.64 2.75 0.00 0.00 6.83 6.70 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 0.00 236 L 7.77 4.01 0.00 1.78 1.79 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 237 L 7.74 3.99 0.00 1.87 1.66 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 238 K 7.93 3.96 0.00 2.05 1.84 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.32 7.81 239 V 8.31 3.75 2.28 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 1.06 0.00 0.00 1.03 0.00 0.00 240 L 8.48 4.01 0.00 1.71 1.49 0.33 -1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 241 R 8.10 3.92 0.00 1.95 2.16 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 242 R 7.88 3.96 0.00 2.11 2.05 0.00 3.36 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 243 Q 8.32 4.43 0.00 2.50 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.28 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 244 G 8.20 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 0.00 0.00 0.00 245 F 8.17 4.69 0.00 3.16 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 *247 D 8.09 4.41 0.00 2.69 2.62 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 * Residues marked with a * may have inaccurate shift predictions.