NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2118 8.2649 123.5941 51.8902 19.7570 178.1482 *2 R 3.9909 8.8365 116.9391 55.0574 32.5694 175.4354 3 I 4.4261 8.1943 124.8475 60.5235 38.5916 175.2702 4 V 4.2049 8.7324 127.2392 60.9972 33.5512 173.8929 5 A 5.2124 8.3997 130.4259 49.4819 21.3253 173.9124 6 P 4.9755 0.0000 0.0000 62.6139 32.8627 175.3998 7 V 4.5205 8.7853 121.5313 60.3529 35.3536 172.3372 *9 P 4.6003 0.0000 0.0000 62.9005 31.9094 176.6896 10 R 4.6811 9.2909 118.1428 56.4848 31.0794 175.9796 11 H 4.9118 7.4176 112.9797 53.3432 32.3871 174.0761 12 F 4.1041 8.8944 121.7944 61.7276 39.0135 176.3477 13 D 4.4176 8.4916 116.6097 57.3992 40.3663 178.2161 14 E 3.9673 8.0911 118.8615 59.1767 29.6944 178.3959 15 A 3.8741 7.8574 120.7498 55.3497 18.2034 179.3353 16 Q 3.6200 7.7651 116.6951 58.8420 29.1040 177.6359 17 A 4.2236 7.3550 118.7539 51.5746 19.4037 177.6278 18 I 3.5623 6.7656 118.5781 61.4291 37.9543 175.4771 19 D 4.6342 8.5326 124.2617 52.5980 40.8919 176.9668 20 I 3.9466 8.1637 122.0249 63.4951 38.0024 178.4517 21 S 4.1331 8.3154 115.6921 60.9241 62.8305 176.4151 22 K 3.8855 7.8656 119.3803 58.7439 32.0053 177.1661 23 Y 4.6096 8.2143 116.0309 57.4173 38.2251 177.2433 24 E 4.0114 7.9301 121.0466 59.5735 29.4933 177.6868 25 D 4.6660 8.0045 116.0530 54.1848 41.1316 175.8777 26 V 4.4167 7.8498 119.2499 61.2418 34.1661 174.6848 27 N 4.9997 8.6724 121.6901 52.7671 40.7507 173.3335 28 L 4.8194 7.6448 121.4605 53.4199 45.3001 174.7731 29 I 4.6531 8.6930 127.9127 59.3283 40.1302 174.3430 30 E 4.8161 9.0283 128.4330 54.1883 31.6297 174.7364 31 W 4.9337 9.1647 135.0000 56.7939 31.5389 175.7402 32 R 4.7610 9.1033 128.8070 55.0472 28.2425 177.3391 33 A 3.5871 7.9058 125.8939 53.7622 18.6199 179.5201 34 D 4.4586 7.7456 114.2452 55.2606 39.4425 177.1592 35 F 4.1982 8.2351 118.7223 58.4399 39.3293 174.8948 36 L 4.8278 7.4865 120.7106 51.9483 43.9108 174.7406 37 P 4.4894 0.0000 0.0000 62.1544 32.0902 177.7539 38 K 3.9376 8.7718 120.3629 60.3088 32.3849 178.0622 39 D 4.8011 8.0955 115.9564 54.9705 41.1424 176.7307 40 E 4.7096 8.3376 118.5242 55.9295 30.8534 177.8351 41 I 3.9809 7.5038 119.7820 64.6981 37.0733 178.4141 42 V 3.8321 7.9233 116.7998 65.9518 31.5237 177.3896 43 A 4.2033 8.1238 119.4560 54.9878 18.4441 179.0913 44 V 4.0891 8.2366 116.1274 65.0835 31.6308 177.8406 45 A 3.5932 8.0237 120.6039 54.8866 18.0073 177.6329 46 P 4.3293 0.0000 0.0000 65.8117 31.4291 178.6443 47 A 3.8718 7.7832 119.5755 55.0067 18.2065 179.8449 48 I 3.3682 7.1162 117.6791 64.5921 36.9820 178.6588 49 F 4.0766 8.0784 117.4604 60.2233 38.6416 177.2171 50 E 4.1142 8.6376 119.6727 59.0361 29.2589 178.7274 51 K 3.7726 7.7548 118.5434 58.7858 32.4233 178.0504 52 F 4.7400 7.6907 116.1732 57.1676 39.3038 177.6078 53 A 4.2188 7.5559 123.9140 55.3927 18.1785 180.0877 54 G 3.7948 8.0777 102.1877 46.8816 0.0000 172.7684 55 K 4.7983 8.1166 118.6781 54.2210 36.0462 175.5795 56 E 4.6351 8.7394 120.8742 56.2597 31.2628 176.0721 57 I 4.9632 9.2166 123.8370 59.6621 40.7262 174.4046 58 I 5.1144 9.2390 128.1667 59.9740 39.4205 174.4458 59 F 5.0034 9.5454 130.3595 57.4211 40.9044 174.5108 60 T 4.5039 8.0800 123.1701 61.7939 71.4919 173.1058 61 L 4.5444 8.1685 129.9318 53.3209 42.0581 174.0387 62 R 4.5222 8.3079 125.2263 55.6071 31.3238 175.2436 63 T 4.8401 9.0793 117.7013 59.9573 71.3029 176.2623 64 V 3.7519 8.3836 121.6780 64.3559 31.1872 178.7433 65 Q 3.9811 7.9571 117.3977 57.5832 28.6483 176.6475 66 E 4.4797 8.1208 115.6022 56.0225 29.8212 176.3815 67 G 3.5073 8.3111 107.1474 45.2122 0.0000 174.1817 68 G 4.3577 7.7400 109.3202 43.7630 0.0000 174.5597 69 N 4.7365 8.5544 115.4753 52.5366 38.8412 174.7850 70 I 4.5082 7.1826 117.8737 59.2923 41.1890 174.1281 71 T 4.7089 8.3967 122.2176 61.8025 69.7461 173.8186 72 L 4.9988 8.0943 125.7058 51.7267 45.8139 177.4431 73 S 4.3621 8.8733 117.2441 58.4010 64.9492 175.7856 74 S 4.0574 8.6744 119.1538 61.7732 62.5476 176.8972 75 Q 3.9976 8.0762 121.7545 59.3470 28.8860 177.9249 76 E 3.9958 8.3148 119.5881 59.5046 29.4565 178.5988 77 Y 4.1411 8.3146 119.9320 60.9283 38.8001 178.7905 78 V 3.5800 8.2086 120.0394 64.7605 31.5571 177.9327 79 D 4.3401 8.3191 119.5935 57.2018 40.6659 178.8650 80 I 3.7070 7.9771 120.3215 64.4071 37.0663 178.3391 81 I 3.5242 7.5335 120.6100 64.5912 36.9129 178.7109 82 K 4.0426 8.2738 119.2939 59.1416 31.9385 179.1922 83 E 3.9068 8.2764 119.7688 59.3150 29.5619 178.9193 84 I 3.8248 7.7216 119.8800 64.2879 37.1590 177.8835 85 N 4.2628 8.3934 117.9625 56.7967 38.6384 176.6772 86 A 3.9606 8.1352 121.0617 54.9674 18.4425 179.1406 87 I 3.6700 7.2910 116.5207 63.4641 37.6937 177.1551 88 Y 4.0058 7.8455 114.7964 56.2082 40.0779 175.3063 89 N 4.1634 7.8850 116.5495 53.2397 36.4830 172.7261 90 P 4.8730 0.0000 0.0000 63.1525 32.5200 176.8027 91 D 4.4233 8.9266 120.3871 57.3227 41.3309 176.1415 92 Y 5.2690 8.4236 113.8564 56.3926 43.1765 174.6234 93 I 5.2200 8.7375 121.6651 59.6224 40.8323 174.3941 94 D 5.1351 9.1215 127.8846 54.1162 42.0863 175.2045 95 F 4.7691 9.4459 127.9218 56.5486 42.6684 173.8884 96 E 4.5307 8.9954 127.2294 55.7739 27.9751 176.9409 97 Y 4.2541 8.6661 125.2099 60.6226 39.3240 178.0220 98 F 4.1159 8.0639 116.4810 60.7217 39.4313 176.9940 99 T 3.9482 7.4123 113.1248 66.3056 68.4939 175.2804 100 H 4.8766 7.8644 118.4147 54.9059 29.6387 176.4452 101 K 3.9420 8.1314 123.3947 59.3744 32.1942 178.6309 102 S 4.2495 8.1875 112.3393 60.5085 63.1082 175.1515 103 V 4.4303 7.9101 112.6317 60.8916 32.0228 177.1917 104 F 3.8388 8.3655 124.3326 61.0645 39.3171 176.4733 105 Q 3.9613 8.1394 118.5530 58.8512 28.5458 177.6264 106 E 4.1666 7.5886 116.8501 56.5491 28.9281 178.0118 *108 L 3.9579 8.0079 120.4750 54.8742 43.4494 177.9622 109 D 4.5144 7.9679 115.0044 55.0733 41.1908 176.2014 110 F 4.1515 8.1606 119.5695 56.5388 39.3931 173.4963 111 P 4.7448 0.0000 0.0000 63.0860 31.9782 175.3852 112 N 5.3076 7.9548 117.2956 52.8616 38.3653 173.8563 113 L 4.9057 8.2826 118.7961 55.5595 43.8793 176.4386 114 I 4.4486 8.7667 124.6297 59.7795 38.4682 174.7861 115 L 4.8938 8.6156 129.1607 54.3387 42.5766 176.6438 116 S 5.3182 9.3327 118.8593 56.8378 66.7723 172.6157 117 Y 5.2046 8.5956 122.0944 56.8208 42.3386 173.1882 118 H 4.7568 8.9471 123.4761 53.7220 31.9547 172.4316 119 N 4.6633 8.4193 122.1629 51.9019 40.7635 174.6799 120 F 4.3479 9.0720 124.5212 58.1804 39.8693 176.6634 121 E 4.3039 8.4230 120.5665 58.0962 29.9598 175.5402 122 E 4.5209 7.7415 112.9866 56.3121 31.7234 174.6740 123 T 4.3907 7.9994 115.8720 61.0351 68.5490 172.9137 124 P 4.4512 0.0000 0.0000 62.2077 32.1261 177.7240 125 E 4.1156 8.7867 119.4522 58.7801 29.7564 177.5487 126 N 5.2879 7.8492 115.0655 51.6089 37.8435 176.4306 127 L 3.9407 7.7201 121.1185 55.9153 41.9559 178.8969 *129 E 4.2322 8.3967 117.7832 55.9848 31.5763 178.3326 130 A 4.0391 7.9274 119.5623 55.1801 18.4409 179.1712 131 F 3.7427 7.9884 115.0466 60.6385 39.0931 177.6364 132 S 4.3581 7.7542 111.8789 61.3167 62.3120 176.0656 133 E 4.1620 8.1588 118.0245 57.7320 28.9524 178.0962 *135 T 4.3015 7.8284 116.0923 63.2144 70.4558 176.4438 136 K 4.0194 8.1353 119.7325 59.1514 32.1338 178.3685 137 L 3.9132 7.3864 116.1771 55.4412 42.1830 176.5865 138 A 4.0517 7.9377 120.8831 51.2801 16.1436 173.7089 139 P 4.5717 0.0000 0.0000 61.5279 33.1846 177.0198 140 R 4.0527 8.4935 118.3746 59.0747 30.5765 176.8791 141 V 4.2072 7.8176 117.5316 60.9263 35.4973 174.1384 142 V 4.3112 7.9733 127.3171 61.1649 33.2855 174.2002 143 K 4.9972 9.0755 130.0949 54.6917 34.7968 174.7046 144 I 5.1034 8.6209 127.5420 59.4309 41.2229 174.2683 145 A 4.9557 8.7635 128.1626 49.6211 21.6265 173.5033 146 V 4.8481 8.5498 119.1148 58.9629 35.6191 174.4280 *148 P 4.2353 0.0000 0.0000 64.0374 31.9671 176.4463 149 Q 4.5680 9.3099 118.3913 55.6258 29.5198 175.1288 150 S 4.6038 7.4118 111.1198 56.0336 65.9318 175.0023 151 E 4.0627 8.7937 120.3555 59.6933 29.0679 179.3411 152 Q 3.9505 8.0845 118.9841 59.2946 29.1844 177.8593 153 D 4.3794 8.0447 119.8397 57.3429 40.5906 179.1438 154 V 3.5310 7.3253 117.4017 66.0547 31.6861 177.8241 155 L 4.0544 7.7455 116.8595 57.7361 41.7409 178.7458 156 D 4.0282 8.2706 119.3156 56.9355 40.6673 178.9286 157 L 3.9523 7.2847 116.4635 56.4215 41.9834 178.0417 *159 N 4.6023 8.0913 116.6551 53.2024 40.8353 176.3195 160 Y 4.2325 7.9832 116.1460 61.3745 37.7361 178.6670 161 T 3.6074 7.6209 116.4732 66.6513 68.5408 176.4502 162 R 4.2342 7.3516 121.2915 58.7701 30.1010 178.5738 163 G 3.3955 8.0231 105.3420 47.9197 0.0000 175.7800 164 F 4.0599 8.0550 120.6632 59.7356 38.7335 177.7978 165 K 4.1515 8.1541 119.7560 59.9628 31.8157 179.0535 166 T 3.9047 7.8335 114.8621 66.6328 68.4247 176.3732 167 L 4.2555 7.8352 119.6801 56.2309 43.2611 177.1189 168 N 5.1645 8.1088 115.9160 50.9233 38.9842 173.4572 169 P 4.6953 0.0000 0.0000 64.7397 32.0899 178.1295 170 E 4.2506 8.0800 116.6745 57.1412 30.0863 176.0636 171 Q 3.9946 8.1290 122.2446 55.3711 29.8661 174.0435 172 E 4.4797 8.3261 126.3910 55.6780 31.2855 174.8954 173 F 5.3240 8.8513 123.5987 55.8123 43.7223 174.1327 174 A 5.2826 9.3741 123.2671 50.3956 20.7284 174.3904 175 T 5.3539 9.1945 110.6124 60.5158 71.7117 173.7131 176 I 4.6903 8.7131 116.8248 59.6872 41.5952 173.8237 177 S 5.2047 8.3079 118.2341 56.0034 65.2056 173.1644 *179 G 3.9810 8.2519 111.4056 44.8047 0.0000 173.8438 180 K 3.9441 8.5654 118.8115 59.4438 31.7778 177.9460 181 L 4.0248 8.0330 118.8503 58.2152 42.1696 178.3675 182 G 4.0773 7.5377 102.8242 44.3041 0.0000 175.2119 183 R 3.7092 7.8849 122.2240 59.2520 30.0393 177.7489 184 L 4.0414 8.1233 119.8463 58.6529 41.9583 179.1322 185 S 4.1754 8.2661 113.6773 61.2560 62.5986 176.5047 186 R 3.9171 7.6684 120.9638 57.7858 29.7553 177.1092 187 F 4.9006 7.2654 115.2571 57.5280 39.5467 176.3231 188 A 4.7518 7.8449 122.5497 52.0554 18.8759 179.3444 189 G 3.8445 7.9280 109.2925 48.0719 0.0000 176.0257 190 D 4.4192 8.0271 119.8958 57.0005 40.9894 178.6247 191 V 3.7640 7.6700 117.7704 65.9398 31.9698 177.6757 192 I 4.0269 8.2911 112.6475 61.8976 37.4036 177.2468 193 G 3.9990 8.3374 108.7000 45.4853 0.0000 172.7204 194 S 4.9135 8.1504 114.9524 56.7746 62.8238 174.0854 195 S 4.7942 8.9739 122.4237 58.1827 64.8009 174.1100 196 W 4.9244 8.4912 120.8697 55.5967 30.5007 175.6878 197 T 4.7048 9.0886 122.1484 62.0443 70.8158 172.7115 198 Y 4.8848 8.9937 124.9797 57.0730 38.9870 175.4469 199 V 4.7607 8.5522 116.8669 59.7423 35.7938 174.7836 200 S 4.8755 8.9025 116.8372 56.5318 66.3548 174.8814 201 L 4.7121 8.2154 119.6580 54.7245 42.3673 178.5237 *208 G 3.9999 8.3022 108.3828 45.6001 0.0000 174.5630 209 Q 4.1812 8.0317 117.6573 56.0525 29.4887 176.4504 210 V 4.6620 8.3079 121.5523 61.2736 35.0102 175.0040 211 T 4.7950 8.4549 117.0767 60.6882 69.7433 174.6242 212 L 4.0683 8.6242 124.5611 58.2573 42.7019 177.8981 213 N 4.4476 8.3338 116.6810 56.9367 39.1443 177.4827 214 D 4.4764 7.8528 115.6722 54.7490 40.3866 178.5728 *216 K 4.2202 8.2343 120.2765 56.5815 33.7510 178.3759 217 R 3.8391 7.7968 118.0435 59.3043 29.7982 178.7177 218 I 3.5898 7.7201 119.6383 64.3627 37.1857 178.2513 219 I 3.7074 7.7981 120.0959 64.4406 36.6078 177.8501 220 E 3.9283 8.1226 118.7614 59.6813 29.4468 179.2868 221 V 3.7050 7.2166 116.3273 66.0188 31.7414 177.7372 222 L 4.0860 8.0077 116.9516 55.1375 41.6673 176.8443 223 E 4.1278 7.9946 122.9933 56.8028 30.0529 174.0259 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 0 A 8.26 4.21 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 *2 R 8.84 3.99 0.00 1.13 1.36 0.00 3.12 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 3 I 8.19 4.43 1.79 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 1.18 0.73 0.86 0.00 0.00 4 V 8.73 4.20 1.13 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 0.44 0.00 0.00 0.18 0.00 0.00 5 A 8.40 5.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.98 0.00 2.11 2.14 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 7 V 8.79 4.52 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 1.07 0.00 0.00 0.16 0.00 0.00 *9 P 0.00 4.60 0.00 2.41 2.04 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.89 0.00 10 R 9.29 4.68 0.00 1.99 2.15 0.00 3.26 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 11 H 7.42 4.91 0.00 3.49 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.89 4.10 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.49 4.42 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.09 3.97 0.00 1.61 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 2.30 2.31 0.00 15 A 7.86 3.87 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 16 Q 7.77 3.62 0.00 1.58 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 17 A 7.36 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 6.77 3.56 1.80 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 1.22 0.77 1.00 0.00 0.00 19 D 8.53 4.63 0.00 2.74 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 20 I 8.16 3.95 1.79 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 1.33 0.75 0.39 0.00 0.00 21 S 8.32 4.13 0.00 4.02 4.17 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 22 K 7.87 3.89 0.00 1.83 1.44 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.67 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.56 7.81 23 Y 8.21 4.61 0.00 3.26 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 24 E 7.93 4.01 0.00 2.04 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 2.39 2.29 0.00 25 D 8.00 4.67 0.00 2.68 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 26 V 7.85 4.42 2.32 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 0.87 0.00 0.00 0.93 0.00 0.00 27 N 8.67 5.00 0.00 2.64 2.76 0.00 0.00 6.52 6.74 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 28 L 7.64 4.82 0.00 1.41 1.35 0.86 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.69 4.65 1.42 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 0.88 0.31 -0.22 0.00 0.00 30 E 9.03 4.82 0.00 2.02 1.86 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 2.29 2.36 0.00 31 W 9.16 4.93 0.00 3.21 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 32 R 9.10 4.76 0.00 2.11 2.22 0.00 3.37 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 33 A 7.91 3.59 0.15 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 34 D 7.75 4.46 0.00 2.71 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 35 F 8.24 4.20 0.00 3.35 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 36 L 7.49 4.83 0.00 1.93 1.72 1.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.49 0.00 2.23 2.01 0.00 3.81 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 2.36 2.13 0.00 38 K 8.77 3.94 0.00 1.97 2.11 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 39 D 8.10 4.80 0.00 2.73 2.78 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 0.00 0.00 0.00 40 E 8.34 4.71 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 41 I 7.50 3.98 1.99 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 1.59 1.20 1.02 0.00 0.00 42 V 7.92 3.83 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 1.03 0.00 0.00 1.03 0.00 0.00 43 A 8.12 4.20 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 44 V 8.24 4.09 2.51 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 1.04 0.00 0.00 1.28 0.00 0.00 45 A 8.02 3.59 0.99 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 46 P 0.00 4.33 0.00 2.32 2.30 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 47 A 7.78 3.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.12 3.37 0.85 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.15 0.00 0.00 49 F 8.08 4.08 0.00 3.05 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 50 E 8.64 4.11 0.00 2.12 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 2.31 2.46 0.00 51 K 7.75 3.77 0.00 1.58 1.18 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.95 7.81 52 F 7.69 4.74 0.00 3.02 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 53 A 7.56 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.08 3.79 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 0.00 0.00 0.00 55 K 8.12 4.80 0.00 1.58 1.86 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.57 7.81 56 E 8.74 4.64 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 57 I 9.22 4.96 1.98 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 1.05 1.37 0.78 0.00 0.00 58 I 9.24 5.11 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 1.17 0.00 0.00 59 F 9.55 5.00 0.00 3.40 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 60 T 8.08 4.50 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 1.22 0.00 0.00 61 L 8.17 4.54 0.00 1.27 1.56 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.31 4.52 0.00 1.94 2.08 0.00 3.32 0.00 0.00 3.57 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 63 T 9.08 4.84 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 1.20 0.00 0.00 64 V 8.38 3.75 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 0.86 0.00 0.00 0.83 0.00 0.00 65 Q 7.96 3.98 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 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0.00 74 S 8.67 4.06 0.00 3.96 4.09 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 75 Q 8.08 4.00 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 76 E 8.31 4.00 0.00 2.26 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 2.35 0.00 77 Y 8.31 4.14 0.00 2.91 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 V 8.21 3.58 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 1.00 0.00 0.00 0.95 0.00 0.00 79 D 8.32 4.34 0.00 2.93 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 80 I 7.98 3.71 2.02 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 1.56 0.80 0.99 0.00 0.00 81 I 7.53 3.52 1.83 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 0.76 0.00 0.00 82 K 8.27 4.04 0.00 1.86 1.89 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 91 D 8.93 4.42 0.00 2.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.42 5.27 0.00 3.17 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 93 I 8.74 5.22 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 1.01 0.00 0.00 94 D 9.12 5.14 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.45 4.77 0.00 3.26 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 96 E 9.00 4.53 0.00 1.61 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 2.33 2.27 0.00 97 Y 8.67 4.25 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.06 4.12 0.00 3.16 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 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1.64 0.86 0.96 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 0.00 109 D 7.97 4.51 0.00 2.54 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 0.00 110 F 8.16 4.15 0.00 2.94 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 0.00 111 P 0.00 4.74 0.00 2.19 2.15 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 112 N 7.95 5.31 0.00 2.98 3.07 0.00 0.00 6.21 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 0.00 113 L 8.28 4.91 0.00 1.71 1.74 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.77 4.45 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.81 0.92 0.00 0.00 115 L 8.62 4.89 0.00 1.43 1.41 0.37 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.33 5.32 0.00 3.82 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 0.00 117 Y 8.60 5.20 0.00 3.26 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 0.00 118 H 8.95 4.76 0.00 2.97 2.73 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.42 4.66 0.00 2.18 2.46 0.00 0.00 6.78 7.84 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 0.00 120 F 9.07 4.35 0.00 3.01 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.42 4.30 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 122 E 7.74 4.52 0.00 2.02 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 2.14 2.29 0.00 123 T 8.00 4.39 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 1.27 0.00 0.00 124 P 0.00 4.45 0.00 2.44 2.21 0.00 3.82 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 125 E 8.79 4.12 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 126 N 7.85 5.29 0.00 2.79 2.96 0.00 0.00 6.35 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 0.00 127 L 7.72 3.94 0.00 2.11 1.95 1.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *129 E 8.40 4.23 0.00 2.29 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 2.29 2.38 0.00 130 A 7.93 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.99 3.74 0.00 2.28 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.75 4.36 0.00 4.15 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 0.00 133 E 8.16 4.16 0.00 2.18 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 2.21 2.37 0.00 *135 T 7.83 4.30 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 1.44 0.00 0.00 136 K 8.14 4.02 0.00 1.78 1.89 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.67 7.81 137 L 7.39 3.91 0.00 1.45 1.67 0.24 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.94 4.05 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 0.00 139 P 0.00 4.57 0.00 2.26 2.02 0.00 3.60 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 140 R 8.49 4.05 0.00 2.10 2.23 0.00 3.26 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.58 0.00 141 V 7.82 4.21 1.54 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 0.40 0.00 0.00 -0.75 0.00 0.00 142 V 7.97 4.31 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.60 0.00 0.00 143 K 9.08 5.00 0.00 1.73 1.65 0.00 1.50 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.28 7.81 144 I 8.62 5.10 1.64 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.31 0.90 0.00 0.00 145 A 8.76 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.55 4.85 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 0.90 0.00 0.00 0.94 0.00 0.00 *148 P 0.00 4.24 0.00 2.29 2.06 0.00 3.28 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 149 Q 9.31 4.57 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 150 S 7.41 4.60 0.00 3.92 3.79 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 0.00 151 E 8.79 4.06 0.00 2.06 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 2.40 2.43 0.00 152 Q 8.08 3.95 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 153 D 8.04 4.38 0.00 2.95 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 0.00 154 V 7.33 3.53 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 155 L 7.75 4.05 0.00 1.72 1.64 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.27 4.03 0.00 2.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.28 3.95 0.00 1.70 1.78 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 *159 N 8.09 4.60 0.00 2.65 2.80 0.00 0.00 7.04 7.48 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 0.00 160 Y 7.98 4.23 0.00 2.55 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 0.00 0.00 0.00 161 T 7.62 3.61 4.20 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 1.13 0.00 0.00 162 R 7.35 4.23 0.00 1.86 2.01 0.00 3.41 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 163 G 8.02 3.40 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 0.00 164 F 8.05 4.06 0.00 2.90 3.32 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 0.00 165 K 8.15 4.15 0.00 1.68 1.89 0.00 1.86 0.00 0.00 2.16 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.61 7.81 166 T 7.83 3.90 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 1.19 0.00 0.00 167 L 7.84 4.26 0.00 1.60 1.71 0.71 0.95 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 0.00 168 N 8.11 5.16 0.00 3.13 2.83 0.00 0.00 6.58 8.19 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 0.00 169 P 0.00 4.70 0.00 2.23 2.24 0.00 3.42 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 170 E 8.08 4.25 0.00 2.01 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 0.00 2.32 2.26 0.00 171 Q 8.13 3.99 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.96 0.00 0.00 0.00 0.00 0.00 1.68 1.17 0.00 172 E 8.33 4.48 0.00 2.00 1.58 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 1.57 2.31 0.00 173 F 8.85 5.32 0.00 3.21 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 0.00 174 A 9.37 5.28 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 0.00 175 T 9.19 5.35 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 1.43 0.00 0.00 176 I 8.71 4.69 1.80 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 1.03 0.53 0.90 0.00 0.00 177 S 8.31 5.20 0.00 3.86 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 *179 G 8.25 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 0.00 180 K 8.57 3.94 0.00 1.85 1.83 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 181 L 8.03 4.02 0.00 1.65 1.69 0.92 1.03 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 0.00 182 G 7.54 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 R 7.88 3.71 0.00 2.00 1.98 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 184 L 8.12 4.04 0.00 1.85 1.70 1.02 0.90 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 0.00 185 S 8.27 4.18 0.00 4.04 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 0.00 186 R 7.67 3.92 0.00 1.02 1.62 0.00 2.96 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 187 F 7.27 4.90 0.00 3.12 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 0.00 188 A 7.84 4.75 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 7.93 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 0.00 190 D 8.03 4.42 0.00 2.71 2.78 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 0.00 0.00 0.00 191 V 7.67 3.76 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 192 I 8.29 4.03 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 1.69 0.83 0.90 0.00 0.00 193 G 8.34 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 0.00 0.00 0.00 194 S 8.15 4.91 0.00 3.98 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 0.00 195 S 8.97 4.79 0.00 4.25 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 W 8.49 4.92 0.00 3.21 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 0.00 197 T 9.09 4.70 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 1.28 0.00 0.00 198 Y 8.99 4.88 0.00 2.82 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 0.00 199 V 8.55 4.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.97 0.00 0.00 200 S 8.90 4.88 0.00 3.76 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 0.00 201 L 8.22 4.71 0.00 1.46 1.48 0.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *208 G 8.30 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 0.00 0.00 0.00 209 Q 8.03 4.18 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 210 V 8.31 4.66 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 1.32 0.00 0.00 1.07 0.00 0.00 211 T 8.45 4.80 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 212 L 8.62 4.07 0.00 1.58 1.72 0.92 1.15 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 0.00 213 N 8.33 4.45 0.00 2.83 2.80 0.00 0.00 7.21 8.49 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 0.00 214 D 7.85 4.48 0.00 2.82 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 *216 K 8.23 4.22 0.00 2.02 1.88 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.61 7.81 217 R 7.80 3.84 0.00 2.04 2.01 0.00 3.04 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 218 I 7.72 3.59 1.67 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 -0.36 0.47 0.00 0.00 219 I 7.80 3.71 1.88 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 1.69 0.78 0.93 0.00 0.00 220 E 8.12 3.93 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 221 V 7.22 3.70 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 0.80 0.00 0.00 0.93 0.00 0.00 222 L 8.01 4.09 0.00 1.67 1.73 0.99 0.81 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 0.00 223 E 7.99 4.13 0.00 2.14 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 2.24 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.