NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6362 8.2348 114.6628 58.3907 63.2980 173.2974 3 F 4.7610 8.9208 125.7465 57.3117 40.3049 175.8400 4 I 4.1016 8.0040 122.4649 63.5526 38.4189 176.9524 5 K 3.2402 7.3294 120.5404 59.3314 31.6519 176.6651 6 P 4.3669 0.0000 0.0000 64.5432 31.5199 177.0402 7 I 4.4571 7.6078 109.1503 60.6432 37.8795 176.6406 8 Y 4.1779 8.0779 127.2813 62.0229 36.8415 178.7080 9 Q 3.8965 8.1675 121.0413 60.1008 28.0270 180.8513 10 D 4.5095 7.8711 119.2633 57.4855 41.1929 178.7199 11 I 2.5802 7.6207 118.5183 63.7122 37.4694 177.2069 12 N 4.1187 7.9653 118.2032 56.1720 38.3430 177.1313 13 S 3.9451 6.8783 114.4708 61.4104 63.2392 176.2419 14 I 3.7725 7.1396 121.0849 64.1381 36.7883 178.2651 15 L 4.4336 7.4338 119.0002 56.7453 41.5930 177.1729 16 I 3.5461 6.7807 120.2184 62.2869 36.9714 174.5229 17 G 3.9275 8.8942 118.0505 45.2900 0.0000 171.6307 18 Q 4.4186 8.7798 121.3418 56.9460 31.1723 177.1105 19 K 3.1981 9.6317 120.0796 56.4208 30.9903 172.2715 20 V 3.0128 8.0813 122.6912 64.8963 31.0640 174.2360 21 K 4.7829 8.4375 135.0000 55.5238 29.9008 176.0551 *22 R 4.2155 8.9476 114.3892 56.7388 31.6109 177.6231 *35 E 4.1620 8.3212 120.2836 56.5982 30.7207 174.5674 36 P 4.5322 0.0000 0.0000 62.8694 31.7636 178.7585 37 F 4.2012 7.8767 116.4216 61.2358 38.7524 176.8922 38 E 4.1923 8.4727 121.1649 59.5797 29.3395 179.5227 39 K 4.1705 7.8837 123.8140 59.7095 31.8391 183.0180 40 L 4.2443 7.8681 119.8195 57.4599 41.5093 179.7578 41 V 3.7004 7.9010 118.2251 66.2245 31.5427 177.5007 42 Y 4.1698 8.0323 118.9899 60.4129 38.3891 177.7643 43 K 3.7921 8.2615 119.9893 59.4240 32.6513 178.1669 44 F 4.2461 8.2433 120.7244 61.5559 39.4103 177.1448 45 L 4.0439 8.2268 120.8183 57.9419 41.0641 179.4640 46 K 4.2173 7.3793 121.3099 56.6927 31.4134 180.3543 47 E 4.5635 7.5908 117.6937 59.1884 31.6996 177.4785 48 N 4.3557 7.7991 113.9226 55.5188 39.1756 176.5597 49 L 4.6200 7.3959 120.1203 55.0046 42.3662 178.6913 50 S 4.1157 8.0101 111.5899 59.1474 62.1065 176.2073 51 D 4.7608 7.5374 118.4524 55.2409 41.5701 177.0946 52 L 4.1446 7.4974 116.1423 57.3770 43.0047 174.3714 53 T 4.5760 7.1530 116.4383 62.4381 69.8112 173.6804 54 F 5.3817 8.7670 126.3789 56.4097 44.1163 175.3720 55 K 4.6271 8.4349 121.2907 53.5049 32.3420 178.1692 56 Q 3.9526 8.3877 118.4875 61.0747 28.7850 179.2734 57 Y 4.3290 7.8898 117.9081 59.9097 38.1839 178.0941 58 E 3.8501 7.1176 120.2352 59.4795 29.6112 178.3300 59 Y 3.9244 8.2450 119.7685 60.5098 38.7740 178.2592 60 L 3.3683 7.5634 120.0411 57.7356 41.5484 179.2750 61 N 4.4975 8.2975 116.2411 56.0438 38.5406 177.0571 62 D 4.1722 7.7099 119.7744 56.7963 41.0604 177.9796 63 L 3.5374 6.9829 119.8889 58.1413 42.2227 178.8575 64 F 4.3300 7.2039 117.0946 60.0126 38.3553 177.2164 65 M 4.4682 7.4008 117.1008 57.7962 32.2254 177.4210 66 K 4.3231 7.6783 115.9099 56.7817 34.1097 176.7655 67 N 5.0705 7.7082 115.4296 50.9125 39.1130 173.3572 68 P 4.2898 0.0000 0.0000 65.6464 32.0490 178.4246 69 A 4.0406 7.8790 119.4827 53.3239 18.5888 177.0384 70 I 4.1110 7.4057 117.0949 60.2139 36.7490 175.2954 71 I 4.3964 8.3109 125.9244 60.2516 40.2301 176.6726 72 G 4.0271 8.5107 109.1569 45.9358 0.0000 174.3789 73 H 3.9119 9.2795 119.8547 59.0257 28.3380 178.6371 74 E 4.0380 7.5735 119.4221 60.7076 29.7063 180.4464 75 A 4.3253 7.7712 121.4506 55.1088 18.5355 179.8883 76 R 3.7365 7.8580 116.6202 59.4230 29.9045 178.8093 77 Y 4.8480 8.2188 116.8640 61.0807 37.6043 178.7184 78 K 4.2122 7.7214 118.2851 58.7029 32.2139 178.8371 79 L 4.2524 8.1386 119.1102 56.0336 42.3193 177.6254 80 F 4.5924 7.5923 118.3002 56.0007 37.8806 176.2248 81 N 4.6308 8.2995 130.7261 52.0315 37.9995 177.1137 82 S 4.4990 7.6044 108.1419 56.2007 65.1939 172.6179 83 P 4.2306 0.0000 0.0000 65.9300 31.1447 178.7895 84 T 3.8521 7.7990 114.3255 66.6113 68.4308 176.5774 85 L 3.5253 7.7831 122.2200 57.6428 42.0171 178.4581 86 L 2.8522 7.9868 120.7267 58.0852 41.7845 178.8281 87 F 4.1647 7.8086 118.7819 60.9802 39.2234 176.2778 88 L 3.6329 7.0980 118.5033 56.3282 42.0550 177.0659 89 L 4.6450 7.7950 116.6502 54.0020 43.6484 177.1585 90 S 4.3013 7.5696 112.9469 58.3360 64.8354 174.5466 91 R 3.8598 9.0803 123.2622 57.0283 28.2783 178.3798 92 G 4.3910 8.8963 101.4465 41.7386 0.0000 172.6122 93 K 4.3387 8.8683 120.1149 59.0680 32.0997 179.6782 94 A 3.9970 8.0090 120.1971 55.1479 18.5768 179.2983 95 A 4.1115 8.1221 118.8378 55.7617 18.2723 179.7902 96 T 4.3358 8.1101 113.4942 66.3736 68.6028 176.6342 97 E 4.0436 7.9603 120.8731 59.1912 29.8789 177.9742 98 N 4.5666 8.2354 113.5935 52.8571 39.2779 175.4881 99 W 4.0966 7.0058 130.1757 57.6955 31.4456 174.7036 100 S 3.7284 6.1308 116.5799 56.8855 65.2165 176.2803 101 I 3.2639 7.6187 114.1009 62.8300 37.2239 176.2455 102 E 4.2427 7.4005 120.1349 56.1225 30.3585 175.1397 103 N 4.8021 7.5881 116.3057 52.7735 39.0137 173.2751 104 L 3.9489 7.1864 119.3511 54.4702 43.0133 177.7574 105 F 4.9843 9.8187 119.8276 57.8342 39.4321 174.5879 106 E 4.3255 8.3264 121.1767 53.8285 33.1898 175.4951 107 E 3.8419 7.6798 118.8225 56.5495 30.0661 177.0051 108 K 4.4337 8.7456 122.5508 54.5369 34.7054 176.9344 109 Q 4.0926 8.9015 123.0699 57.6798 28.3435 176.2655 110 N 4.6085 7.7442 116.4075 54.2185 40.0379 174.6785 111 D 4.3317 8.0022 117.8989 55.2156 41.4766 176.8329 112 T 3.8403 8.8095 120.4124 65.9418 68.6558 174.2429 113 A 4.7880 7.4715 121.0634 50.2563 21.9309 175.6822 114 D 4.6319 8.5304 120.3922 56.7287 41.7420 177.4061 115 I 4.8548 7.6584 117.6143 59.2463 41.9124 174.2293 116 L 5.0351 9.5699 127.9495 53.4309 44.9256 175.1720 117 L 5.5915 8.9979 127.7001 52.7013 43.0472 175.8857 118 V 4.6073 7.8003 123.5355 59.8845 33.8919 176.0208 119 K 3.7538 9.0626 120.0946 56.7839 34.8753 174.6876 120 D 4.2690 8.9957 128.8228 55.6841 37.4128 175.6763 121 Q 3.8149 7.8744 114.3124 56.3529 28.3697 173.7042 122 F 5.2232 8.0389 121.4813 57.0792 41.0469 173.9960 123 Y 4.9487 8.6046 123.6775 56.1641 41.1511 174.5992 124 E 4.6401 8.9990 124.1007 54.2314 31.4546 174.3661 125 L 4.4744 8.9341 127.5716 54.0845 41.7634 175.7607 126 L 4.2926 8.6613 126.6803 54.4256 43.9451 175.1835 127 D 4.5468 8.2917 123.7363 52.5032 44.2022 174.2401 128 V 4.3234 8.6725 127.4518 62.5777 32.2809 175.3406 129 K 4.9384 9.1657 127.7490 54.8467 35.0213 175.3449 130 T 5.3835 8.5663 113.0866 60.0274 71.6960 173.0530 131 R 4.7096 8.7440 120.7688 54.4003 33.9086 173.9669 132 N 3.8114 8.1135 118.6052 51.2075 39.2171 175.1718 133 I 3.6561 7.6736 123.0655 63.3826 37.7172 178.4857 134 S 4.2028 7.5406 117.2442 60.1470 62.2687 179.8776 135 K 4.3910 7.4056 115.3022 56.1220 35.2460 175.3438 136 S 4.0259 8.7284 117.5981 58.3807 62.5956 172.8972 137 A 4.7722 8.0992 129.2612 49.6907 22.2017 174.8561 138 Q 4.1085 8.5368 119.9710 55.8001 29.6475 176.2798 139 A 3.6823 8.2613 125.1151 51.3754 19.1569 175.9210 140 P 4.5955 0.0000 0.0000 62.0151 33.2728 175.3746 141 N 4.4187 8.5634 117.5760 54.0552 38.7510 173.9676 142 I 4.1190 7.7904 120.6792 61.6546 39.0858 175.7749 143 I 4.2930 6.9960 112.4564 59.7249 40.7138 173.0741 144 S 4.4044 8.5805 118.7621 58.2498 62.6894 174.4963 145 A 4.2834 9.3668 133.1476 55.0660 18.0164 178.6970 146 Y 4.2532 8.1783 117.3376 60.5640 38.8734 177.8034 147 K 4.0173 8.1262 120.9729 59.3083 32.2955 178.6735 148 L 3.9460 8.2424 120.6479 57.7821 41.9390 178.7015 149 A 4.0280 8.2803 121.2479 55.3823 18.1567 179.6840 150 Q 3.6792 7.7050 116.4537 59.0902 28.4051 178.9944 151 T 3.9157 7.9369 116.0964 67.0351 68.9348 175.9574 152 C 4.3893 8.6048 118.5613 62.9695 28.2743 176.1015 153 A 4.0611 8.1898 122.2576 55.1857 17.9544 179.7343 154 K 4.0092 8.3036 116.8316 59.1847 32.0618 179.5257 155 M 3.9598 7.8825 119.5615 58.0194 31.8904 178.7566 156 I 3.8382 7.6573 119.4653 64.5133 37.3007 177.6859 157 D 4.3619 7.6484 118.0586 57.6281 40.6813 177.8013 158 N 4.5509 7.9647 114.3907 52.8037 38.8759 175.7387 159 K 3.3426 7.3492 118.8955 55.2397 29.5486 180.6120 160 E 4.2561 7.5696 120.7988 55.3408 29.4505 176.1430 161 F 4.8219 7.7556 123.8027 56.7967 43.1120 174.8321 162 D 4.5252 8.6315 117.7589 55.1058 37.1758 174.7507 163 L 5.0577 7.8876 122.1879 56.6138 44.8907 176.1080 164 F 5.1320 7.3991 110.1975 55.2089 41.4205 173.3349 165 D 5.0889 9.0892 119.1315 52.7582 45.1840 175.0438 166 I 4.5943 8.1999 123.0193 59.1819 38.6970 174.3384 167 N 5.1070 8.1322 123.8769 51.4174 42.4594 173.2331 168 Y 4.8196 8.4291 116.6818 56.2549 42.8770 174.8791 169 L 5.1014 8.5270 123.4351 53.3966 45.2443 174.8961 170 E 4.7813 9.2340 128.7710 55.7247 31.3026 175.3921 171 V 4.4019 9.1069 126.5665 61.3361 34.1599 173.9473 172 D 5.0812 9.1335 129.2836 53.4770 42.6922 175.8848 173 W 5.9599 7.8166 116.7570 56.3559 32.3921 174.7221 174 E 4.7891 9.0987 119.5295 56.2877 31.4040 176.4032 175 L 4.7137 9.6929 122.9998 54.6791 48.4843 173.3872 176 N 3.9742 10.4395 126.1088 54.7382 37.1581 172.6027 177 G 3.6966 8.5394 116.1190 46.5256 0.0000 173.1560 178 E 4.1557 8.4819 124.2546 57.2006 28.8937 175.2987 179 D 5.4569 7.4713 116.7437 53.3663 42.9601 175.1850 180 L 5.2611 8.7661 119.9472 53.2949 44.1715 176.8686 181 V 4.7348 8.5814 116.7872 59.4433 35.0357 174.5961 182 C 4.6500 9.0467 125.3669 59.7011 32.0132 173.7030 183 V 4.5308 8.4167 125.9051 63.8058 33.4426 174.8907 184 S 4.7744 7.7209 113.1368 58.1921 65.9807 173.7020 185 T 5.6701 8.2247 109.2081 61.1252 71.8703 172.7739 186 S 4.9788 8.5002 115.5952 57.8556 67.4844 173.2088 187 F 5.2565 8.2540 122.8928 56.8485 42.5894 173.4516 188 A 4.3592 6.7510 121.7964 51.2403 23.1269 174.8940 189 E 4.8362 8.5473 119.1843 53.5596 31.5705 176.1004 190 L 3.9568 8.6870 127.3518 58.5166 42.2498 179.1848 191 F 3.3206 7.1806 111.4338 57.8103 38.0278 175.6387 192 K 4.5790 8.3029 121.5146 55.9715 33.0407 175.7221 193 S 4.8273 7.8455 111.8831 56.9631 65.2954 173.1380 194 E 4.1363 8.7771 121.9817 54.8297 28.7898 175.4479 195 P 3.9139 0.0000 0.0000 64.8328 31.0474 177.0453 196 S 4.1155 7.6566 113.2057 58.7228 63.4427 174.2168 197 E 4.3858 7.8315 118.9419 56.2081 30.1642 176.1280 198 L 4.2265 7.6919 119.7684 55.0043 42.4064 176.1784 199 Y 4.4879 8.9192 125.8600 57.4351 40.3695 174.1028 200 I 3.6919 7.5592 127.0177 59.3825 38.6775 175.2013 201 N 4.2724 7.9904 127.2231 51.5829 37.8816 175.5506 202 W 4.1278 8.4762 125.7913 59.4436 29.5619 178.8677 203 A 3.9799 8.3283 119.6936 54.8997 18.7883 178.0027 204 A 4.2675 8.3657 120.9265 51.7496 17.2468 177.0570 205 A 3.9375 8.1469 117.8216 53.4011 16.8956 177.3062 206 M 3.1919 7.7630 114.2057 56.4969 30.9013 176.6981 207 Q 4.9332 7.6964 116.5755 54.8458 30.9073 175.6860 208 I 4.7334 8.4027 117.1467 60.2871 39.2471 174.8113 209 Q 4.8802 8.4506 122.5301 52.9063 32.0495 174.6166 210 F 4.6762 7.6423 115.0524 57.0025 40.2366 172.8018 211 H 4.6663 8.4168 118.1014 54.6951 29.8035 176.2104 212 V 3.7227 8.9716 124.9897 66.3605 31.2680 178.0631 213 R 4.4120 8.4045 110.9738 56.9414 28.5332 176.6636 214 D 4.7159 8.1694 115.1079 53.9028 43.9960 175.4952 215 L 3.8897 7.5346 122.8359 54.2768 42.4650 176.3979 216 D 4.6406 8.3682 125.3199 53.7147 40.0470 175.4946 217 Q 4.8772 7.9092 117.4227 54.9591 29.9778 176.5769 218 G 4.0087 8.2528 108.2608 43.3650 0.0000 171.9042 219 F 4.6551 8.3399 127.0041 57.2027 40.5964 175.1916 220 N 4.6319 8.0949 128.0978 49.9159 36.2486 172.5953 221 G 3.6923 6.6857 109.1655 43.7772 0.0000 170.2603 222 T 4.5658 8.1806 109.0489 60.0535 72.0184 175.1201 223 R 3.8593 8.5085 122.8105 59.7830 29.9642 178.4297 224 E 3.3882 7.4754 118.3374 59.2180 29.6181 178.6128 225 E 4.0970 8.0496 118.2716 58.7930 29.4262 179.1407 226 W 3.8907 8.5278 128.5881 60.3157 30.7932 177.8147 227 A 4.4436 8.4005 120.6628 55.4191 17.8009 179.6160 228 K 3.9730 8.2453 116.9741 59.7209 32.1222 179.5527 229 S 4.0525 8.5891 113.5325 61.4671 62.1485 175.3499 230 Y 3.7446 8.0954 122.5940 60.7716 38.4611 178.0368 231 L 4.1873 8.3766 122.1848 58.5856 41.7643 180.4056 232 K 4.0657 7.8841 123.5766 60.0667 31.6311 180.6581 233 H 4.3634 8.0601 119.6302 58.8277 29.7517 177.2460 234 F 3.8009 8.4555 122.8886 61.1788 39.2816 177.1902 235 V 3.5948 8.3524 118.2614 66.3172 31.3339 177.9305 236 T 3.7865 7.7634 115.1963 67.0128 68.4182 176.7353 237 Q 4.0912 8.0682 119.2524 58.6628 28.6706 178.7515 238 A 2.9721 7.8617 122.1931 54.6673 18.1728 179.4942 239 E 3.8458 7.8992 117.2347 59.3686 29.5413 179.4970 240 Q 3.9247 7.9178 118.3334 58.8207 28.7552 178.6313 241 R 3.7401 7.7231 119.5794 59.1537 29.7150 178.4346 242 A 3.8586 7.2609 119.2664 54.7337 18.5784 179.5150 243 I 3.8383 7.2353 118.6426 64.6300 37.6338 178.6884 244 S 4.1551 8.5104 115.9164 61.2557 62.5422 176.6335 245 M 4.2333 8.0556 121.4552 58.9230 32.0684 178.3134 246 I 3.8774 7.7096 119.7869 64.3631 37.0588 178.1883 247 D 4.3743 8.0545 118.5609 56.1981 40.7781 177.4220 248 K 4.2058 7.6194 118.1017 56.4272 33.5589 177.0300 249 F 5.2318 7.7989 114.8391 57.9926 39.9680 175.8065 250 V 4.4445 7.9774 117.7949 63.5732 32.3899 177.4467 251 K 3.9020 8.2764 122.3488 59.9066 31.7617 179.1275 252 P 4.5789 0.0000 0.0000 64.6894 31.2604 177.6323 253 F 5.1366 7.7078 113.6302 57.2061 39.7449 177.3176 254 K 3.9369 8.2354 120.9897 59.0999 31.5427 177.7650 255 K 4.0785 7.3279 115.6580 57.2657 32.0210 176.9972 256 Y 4.4677 7.9477 119.0535 59.2045 40.0682 176.5436 *257 I 4.0448 7.8800 121.7882 60.0233 36.2903 180.6901 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.23 4.64 0.00 3.92 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 3 F 8.92 4.76 0.00 3.13 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 4 I 8.00 4.10 1.83 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.26 0.97 0.00 0.00 5 K 7.33 3.24 0.00 1.59 1.76 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.70 7.81 6 P 0.00 4.37 0.00 2.09 2.13 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 7 I 7.61 4.46 1.95 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 1.36 0.84 0.93 0.00 0.00 8 Y 8.08 4.18 0.00 2.75 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 9 Q 8.17 3.90 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 10 D 7.87 4.51 0.00 3.09 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 11 I 7.62 2.58 1.95 0.00 0.00 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 1.36 0.77 0.96 0.00 0.00 12 N 7.97 4.12 0.00 1.79 2.27 0.00 0.00 7.16 7.79 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 13 S 6.88 3.95 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.14 3.77 1.23 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 1.62 0.34 0.83 0.00 0.00 15 L 7.43 4.43 0.00 1.64 1.76 0.98 0.96 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 16 I 6.78 3.55 1.98 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 1.22 0.64 0.92 0.00 0.00 17 G 8.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.78 4.42 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.81 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 19 K 9.63 3.20 0.00 1.87 1.62 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 0.97 7.81 20 V 8.08 3.01 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 0.33 0.00 0.00 -0.31 0.00 0.00 21 K 8.44 4.78 0.00 1.72 1.27 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.43 0.96 7.81 *22 R 8.95 4.22 0.00 1.80 1.77 0.00 3.47 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 *35 E 8.32 4.16 0.00 1.94 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 2.21 2.38 0.00 36 P 0.00 4.53 0.00 1.99 2.03 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.60 0.00 37 F 7.88 4.20 0.00 3.13 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 38 E 8.47 4.19 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 39 K 7.88 4.17 0.00 1.79 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 40 L 7.87 4.24 0.00 1.91 1.81 0.85 0.83 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 41 V 7.90 3.70 2.41 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 1.15 0.00 0.00 1.18 0.00 0.00 42 Y 8.03 4.17 0.00 3.14 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 43 K 8.26 3.79 0.00 1.97 2.10 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.47 7.81 44 F 8.24 4.25 0.00 3.28 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 45 L 8.23 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 54 F 8.77 5.38 0.00 3.05 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.43 4.63 0.00 1.81 1.67 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.24 7.81 56 Q 8.39 3.95 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.87 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 57 Y 7.89 4.33 0.00 3.42 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 58 E 7.12 3.85 0.00 2.19 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 2.19 1.47 0.00 59 Y 8.25 3.92 0.00 3.11 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 60 L 7.56 3.37 0.00 2.05 1.70 0.78 0.73 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 61 N 8.30 4.50 0.00 2.98 3.11 0.00 0.00 6.72 7.55 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 0.00 0.00 87 F 7.81 4.16 0.00 2.88 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 88 L 7.10 3.63 0.00 1.52 1.24 0.63 0.45 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 89 L 7.80 4.65 0.00 1.37 1.65 0.83 0.64 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 90 S 7.57 4.30 0.00 4.13 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 9.08 3.86 0.00 1.41 1.54 0.00 3.00 0.00 0.00 2.77 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.45 0.00 92 G 8.90 4.39 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 0.00 93 K 8.87 4.34 0.00 1.84 1.90 0.00 2.29 0.00 0.00 2.22 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.40 7.81 94 A 8.01 4.00 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 95 A 8.12 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.81 3.84 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 1.05 0.00 0.00 113 A 7.47 4.79 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 0.00 114 D 8.53 4.63 0.00 2.64 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 0.00 115 I 7.66 4.85 1.96 0.00 0.00 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 1.41 1.13 1.12 0.00 0.00 116 L 9.57 5.04 0.00 1.69 1.53 0.88 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 9.00 5.59 0.00 1.99 1.84 1.05 0.94 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 0.00 118 V 7.80 4.61 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 0.66 0.00 0.00 -0.19 0.00 0.00 119 K 9.06 3.75 0.00 0.90 1.07 0.00 1.69 0.00 0.00 1.43 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.84 1.22 7.81 120 D 9.00 4.27 0.00 2.96 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 0.00 121 Q 7.87 3.81 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 122 F 8.04 5.22 0.00 3.24 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.60 4.95 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.00 4.64 0.00 1.83 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 2.20 2.22 0.00 125 L 8.93 4.47 0.00 1.56 1.47 0.80 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.66 4.29 0.00 1.82 1.71 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.29 4.55 0.00 2.54 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 0.00 0.00 0.00 128 V 8.67 4.32 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 0.96 0.00 0.00 1.04 0.00 0.00 129 K 9.17 4.94 0.00 1.75 1.70 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.27 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.43 7.81 130 T 8.57 5.38 4.58 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 1.34 0.00 0.00 131 R 8.74 4.71 0.00 1.75 2.05 0.00 2.76 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.34 0.00 132 N 8.11 3.81 0.00 2.02 2.37 0.00 0.00 6.62 7.92 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 0.00 133 I 7.67 3.66 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.77 0.00 0.00 134 S 7.54 4.20 0.00 3.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.41 4.39 0.00 1.78 1.71 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.28 7.81 136 S 8.73 4.03 0.00 3.81 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 0.00 137 A 8.10 4.77 1.19 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 0.00 0.00 138 Q 8.54 4.11 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 139 A 8.26 3.68 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 0.00 140 P 0.00 4.60 0.00 2.05 2.15 0.00 3.38 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 141 N 8.56 4.42 0.00 2.57 2.90 0.00 0.00 6.74 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.79 4.12 1.54 0.00 0.00 -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 0.77 -0.36 0.01 0.00 0.00 143 I 7.00 4.29 1.87 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 1.24 0.43 0.95 0.00 0.00 144 S 8.58 4.40 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 9.37 4.28 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.18 4.25 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 0.00 147 K 8.13 4.02 0.00 1.90 1.97 0.00 1.58 0.00 0.00 1.33 0.00 0.00 2.58 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.36 7.81 148 L 8.24 3.95 0.00 1.73 1.68 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.28 4.03 0.55 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 0.00 0.00 150 Q 7.71 3.68 0.00 1.74 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 151 T 7.94 3.92 4.53 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 1.47 0.00 0.00 152 C 8.60 4.39 0.00 3.25 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 0.00 153 A 8.19 4.06 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 0.00 154 K 8.30 4.01 0.00 1.94 1.80 0.00 1.21 0.00 0.00 1.48 0.00 0.00 2.33 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.36 7.81 155 M 7.88 3.96 0.00 2.10 2.36 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.59 0.00 156 I 7.66 3.84 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.28 1.01 0.00 0.00 157 D 7.65 4.36 0.00 2.63 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 0.00 158 N 7.96 4.55 0.00 2.71 2.78 0.00 0.00 7.15 8.30 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 0.00 159 K 7.35 3.34 0.00 1.90 1.70 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.26 7.81 160 E 7.57 4.26 0.00 1.72 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 2.20 2.31 0.00 161 F 7.76 4.82 0.00 2.98 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.63 4.53 0.00 2.84 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 0.00 163 L 7.89 5.06 0.00 1.81 1.65 1.25 0.95 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 0.00 164 F 7.40 5.13 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 D 9.09 5.09 0.00 2.55 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 0.00 166 I 8.20 4.59 1.38 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 1.34 1.97 0.60 0.00 0.00 167 N 8.13 5.11 0.00 2.43 2.25 0.00 0.00 6.79 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 0.00 168 Y 8.43 4.82 0.00 2.84 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 0.00 169 L 8.53 5.10 0.00 1.92 1.65 1.37 1.21 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 0.00 170 E 9.23 4.78 0.00 2.17 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 2.34 2.31 0.00 171 V 9.11 4.40 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 0.78 0.00 0.00 1.09 0.00 0.00 172 D 9.13 5.08 0.00 2.75 2.45 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 0.00 173 W 7.82 5.96 0.00 3.52 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 0.00 174 E 9.10 4.79 0.00 1.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 175 L 9.69 4.71 0.00 1.71 0.98 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 176 N 10.44 3.97 0.00 2.91 2.89 0.00 0.00 6.97 7.98 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 0.00 177 G 8.54 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 0.00 178 E 8.48 4.16 0.00 2.16 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 0.00 2.22 2.33 0.00 179 D 7.47 5.46 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 0.00 180 L 8.77 5.26 0.00 1.51 1.77 0.45 1.01 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 0.00 181 V 8.58 4.73 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.04 0.00 0.00 182 C 9.05 4.65 0.00 3.16 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 0.00 183 V 8.42 4.53 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 0.85 0.00 0.00 1.07 0.00 0.00 184 S 7.72 4.77 0.00 3.90 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 0.00 185 T 8.22 5.67 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 186 S 8.50 4.98 0.00 3.84 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 0.00 187 F 8.25 5.26 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 6.75 4.36 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.55 4.84 0.00 1.85 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 2.32 2.09 0.00 190 L 8.69 3.96 0.00 1.80 1.12 1.07 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 191 F 7.18 3.32 0.00 2.76 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 0.00 0.00 0.00 0.00 192 K 8.30 4.58 0.00 1.81 2.03 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.45 7.81 193 S 7.85 4.83 0.00 4.05 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 0.00 194 E 8.78 4.14 0.00 2.17 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 2.32 2.26 0.00 195 P 0.00 3.91 0.00 1.58 0.49 0.00 3.50 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 0.00 196 S 7.66 4.12 0.00 3.78 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 0.00 197 E 7.83 4.39 0.00 1.91 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 2.22 0.00 198 L 7.69 4.23 0.00 1.73 1.85 1.22 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 8.92 4.49 0.00 3.07 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 0.00 200 I 7.56 3.69 1.31 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.80 -0.29 0.00 0.00 201 N 7.99 4.27 0.00 2.76 2.72 0.00 0.00 6.95 7.24 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 0.00 202 W 8.48 4.13 0.00 3.45 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 0.00 203 A 8.33 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.37 4.27 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 0.00 205 A 8.15 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 M 7.76 3.19 0.00 2.15 2.16 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 2.65 2.79 0.00 207 Q 7.70 4.93 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 208 I 8.40 4.73 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 1.01 0.00 0.00 209 Q 8.45 4.88 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 210 F 7.64 4.68 0.00 2.85 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 0.00 211 H 8.42 4.67 0.00 3.39 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 V 8.97 3.72 2.33 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 1.06 0.00 0.00 1.04 0.00 0.00 213 R 8.40 4.41 0.00 1.99 2.05 0.00 3.04 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 214 D 8.17 4.72 0.00 2.82 2.68 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 0.00 0.00 0.00 0.00 215 L 7.53 3.89 0.00 0.95 1.31 0.24 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 216 D 8.37 4.64 0.00 2.81 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 0.00 217 Q 7.91 4.88 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 218 G 8.25 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 0.00 0.00 0.00 219 F 8.34 4.66 0.00 3.13 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 0.00 220 N 8.09 4.63 0.00 2.78 2.62 0.00 0.00 6.66 7.51 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 0.00 221 G 6.69 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 0.00 222 T 8.18 4.57 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 223 R 8.51 3.86 0.00 1.81 1.81 0.00 2.21 0.00 0.00 2.68 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 224 E 7.48 3.39 0.00 1.16 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 2.25 2.24 0.00 225 E 8.05 4.10 0.00 2.42 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 0.00 2.35 2.31 0.00 226 W 8.53 3.89 0.00 3.30 3.25 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 0.00 227 A 8.40 4.44 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 K 8.25 3.97 0.00 2.02 1.94 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.65 7.81 229 S 8.59 4.05 0.00 3.90 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 0.00 230 Y 8.10 3.74 0.00 2.36 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 0.00 231 L 8.38 4.19 0.00 1.98 1.83 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 232 K 7.88 4.07 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 233 H 8.06 4.36 0.00 3.10 3.24 0.00 5.75 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 0.00 234 F 8.46 3.80 0.00 2.56 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 0.00 235 V 8.35 3.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.18 0.00 0.00 236 T 7.76 3.79 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 237 Q 8.07 4.09 0.00 2.14 2.41 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 2.41 2.30 0.00 238 A 7.86 2.97 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 0.00 239 E 7.90 3.85 0.00 2.16 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 2.25 2.39 0.00 240 Q 7.92 3.92 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 241 R 7.72 3.74 0.00 0.97 0.99 0.00 3.05 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.23 0.00 242 A 7.26 3.86 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 0.00 243 I 7.24 3.84 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.17 0.91 0.00 0.00 244 S 8.51 4.16 0.00 3.76 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 0.00 245 M 8.06 4.23 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 246 I 7.71 3.88 1.96 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 1.67 0.87 0.92 0.00 0.00 247 D 8.05 4.37 0.00 2.57 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 K 7.62 4.21 0.00 1.41 0.99 0.00 1.54 0.00 0.00 1.25 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.62 1.16 7.81 249 F 7.80 5.23 0.00 3.26 2.98 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 0.00 250 V 7.98 4.44 2.34 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 1.13 0.00 0.00 1.02 0.00 0.00 251 K 8.28 3.90 0.00 1.82 1.84 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.39 7.81 252 P 0.00 4.58 0.00 1.60 1.81 0.00 3.69 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 2.02 2.08 0.00 253 F 7.71 5.14 0.00 3.33 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 0.00 254 K 8.24 3.94 0.00 2.12 1.93 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.54 7.81 255 K 7.33 4.08 0.00 1.76 1.74 0.00 1.34 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 0.51 7.81 256 Y 7.95 4.47 0.00 3.25 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 *257 I 7.88 4.04 1.92 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 0.54 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.