NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 N 4.6894 8.4244 118.2239 53.1066 38.2049 172.5424 27 Y 4.6355 8.6326 119.4841 55.7910 40.2527 174.1925 28 I 4.3883 8.2471 128.0583 59.5235 41.0698 175.1087 29 D 4.9172 8.0611 126.3366 52.7232 39.7005 175.4532 30 D 4.8935 8.1716 118.1742 55.8854 42.0772 176.3306 31 R 4.7323 8.8227 117.8157 54.5719 34.4547 174.6893 32 I 4.9372 8.3043 122.0793 60.0040 38.7669 175.4838 33 V 4.6622 8.9188 119.8895 59.2783 35.4610 176.9783 34 A 3.9075 9.0771 125.7054 54.5851 18.4087 178.4542 35 D 4.6763 7.9793 113.2722 53.0776 40.1872 175.8970 36 V 4.3175 7.3895 120.8580 60.3870 33.3407 173.2723 37 P 4.5013 0.0000 0.0000 61.9819 32.0657 175.5390 38 A 4.3284 8.4099 123.1617 54.3307 18.5919 178.1468 39 G 4.0011 9.4854 111.0638 45.3152 0.0000 174.2669 40 S 4.2635 7.5635 113.7767 57.7365 62.9713 173.6838 41 E 4.0262 8.3537 124.6855 55.4639 29.8907 175.1721 42 P 4.1896 0.0000 0.0000 62.8479 32.0380 175.7377 43 I 4.5304 8.7063 124.9978 59.2322 39.2598 175.1226 44 A 3.3731 8.6545 129.2663 51.9943 18.9815 176.6782 45 Q 4.3923 8.3893 121.0727 53.8467 31.4341 176.9574 46 E 3.8918 8.6849 120.1742 59.5711 29.5646 178.1179 47 D 4.4685 7.9437 115.2740 53.4387 39.5235 177.1438 48 G 3.7707 7.9938 108.3063 45.8363 0.0000 173.7612 49 T 4.5469 8.1465 111.3123 60.7410 71.7177 173.3722 50 F 5.2831 9.5998 119.2097 56.0708 42.8872 174.2310 51 H 5.6926 9.2992 119.5556 54.2498 30.9367 174.1018 52 W 5.2588 9.5673 123.4919 54.2489 32.2518 173.4129 53 P 5.1838 0.0000 0.0000 61.5702 32.0675 176.1177 54 V 3.1424 8.1705 123.7632 62.9610 31.8276 175.0905 55 E 4.7290 8.1257 125.2598 55.1914 31.1263 174.6266 56 A 4.0239 8.3044 128.9983 53.1085 19.1455 177.8799 57 G 3.8437 8.6631 108.7531 46.0994 0.0000 174.2379 58 R 4.2650 7.4249 120.9444 56.3397 32.5479 175.3426 59 Y 5.3920 7.7932 114.8985 55.9953 41.7319 174.7026 60 R 4.8929 9.0777 122.3338 53.5338 33.3773 174.2303 61 L 4.7100 9.0767 129.0399 54.3901 43.5049 175.2434 62 V 4.7193 8.9920 127.6703 61.6575 33.1288 174.6059 63 A 5.1504 9.1940 128.6341 50.1675 23.2588 173.9475 64 A 5.0593 8.0939 119.0132 49.0285 21.7585 177.8297 65 R 3.7093 8.8687 120.4789 59.2552 30.3707 178.3739 66 A 4.0434 7.7799 119.1142 54.2097 18.9492 177.2104 67 C 4.4341 7.6605 117.3128 57.8394 32.4860 172.4569 68 P 4.2490 0.0000 0.0000 65.6732 30.6421 178.6487 69 W 4.0693 7.2759 117.2168 59.5513 29.3370 177.8591 70 A 4.1735 8.0838 120.2706 55.2787 17.8160 178.8332 71 H 4.1055 8.2697 116.8414 59.6424 29.9363 177.3403 72 R 3.9599 7.8784 119.9121 59.8729 29.9654 179.0586 73 T 4.0370 7.9231 109.2423 64.5858 68.8871 177.1054 74 V 3.5590 7.7343 120.6394 65.7202 31.5882 177.7823 75 I 3.5442 7.7586 119.5384 64.7661 36.9288 178.6038 76 T 3.7991 7.7499 116.2970 66.5773 68.2276 176.6977 77 R 3.4929 8.0464 120.6378 59.2507 30.0339 178.6365 78 R 3.8358 7.8107 118.3396 59.4108 29.9398 178.2639 79 L 3.8805 7.7671 117.7604 57.7093 41.9244 178.9418 80 L 4.1598 8.0438 117.0508 54.1156 42.0716 176.6876 81 G 3.7961 7.5791 106.0899 46.9640 0.0000 174.2092 82 L 4.4685 7.7634 116.4742 54.1340 42.2232 179.0888 83 E 3.8823 7.9140 119.8965 58.9035 29.4811 177.3700 84 N 4.7098 7.9238 113.3992 53.2623 39.2956 175.5730 85 V 4.1863 7.4566 110.9182 60.6234 34.2065 174.8478 86 I 4.9627 7.3174 120.6058 59.1457 39.3450 176.2413 87 S 4.4714 8.4640 122.2430 57.8048 65.0669 172.5712 88 L 4.8012 8.3346 121.5208 53.1477 44.4259 175.3736 89 G 4.1811 9.1581 113.7022 44.3804 0.0000 171.6239 90 L 5.2675 8.5485 125.1846 53.3331 43.1346 175.5576 91 T 4.4289 9.0971 117.7238 60.9782 72.2356 173.0680 92 G 4.2133 8.6411 109.5685 43.0268 0.0000 171.1649 93 P 4.5278 0.0000 0.0000 62.4895 32.2768 176.4955 94 T 4.5750 7.9750 106.6451 60.6479 70.0666 175.4490 95 H 4.2182 8.3142 117.4574 56.1731 26.9709 174.3744 *133 I 3.8593 7.4866 118.5707 60.6058 38.3882 174.7426 134 T 4.6050 8.3669 117.7291 60.7394 69.6842 174.3403 135 V 4.4583 8.0360 117.8080 58.7810 33.8876 173.7570 136 P 4.9472 0.0000 0.0000 63.0087 33.1926 174.7637 137 A 4.8932 8.6315 121.3175 50.6183 23.1844 175.0532 138 L 4.9217 8.6478 121.4686 53.5787 43.7274 176.0634 139 V 4.7382 8.6295 123.0936 60.8058 35.3905 173.9320 140 E 4.5745 9.0645 129.1278 56.0552 30.0668 177.0418 141 E 3.9730 9.2359 128.3884 59.6776 29.9197 178.7076 142 S 4.2629 8.2135 111.6994 61.1760 63.0072 175.3941 143 S 4.3447 8.0110 113.2512 57.5205 63.5878 174.7999 144 K 3.9714 8.2022 118.6791 56.8032 30.0592 175.6891 145 K 4.2476 7.7783 119.3734 56.1624 33.2994 176.5479 146 V 3.8740 8.2748 124.7650 62.9494 31.4008 175.8300 147 V 3.3973 8.3956 129.2359 65.7018 31.8761 176.1468 148 T 4.7030 7.3398 113.2979 60.4990 70.6176 172.8012 149 N 5.2794 8.4720 124.2151 51.6972 38.7343 175.0338 150 D 4.6498 8.2290 121.9136 53.5665 39.3119 175.9966 151 Y 4.1801 8.1190 124.1829 59.2401 37.9073 176.6520 152 P 4.2110 0.0000 0.0000 65.2307 31.4055 178.5406 153 S 4.1106 7.4681 112.8323 60.6059 62.9244 176.6773 154 I 3.3288 7.2188 124.1735 64.4215 36.8915 178.3308 155 T 3.6705 7.2601 109.5170 64.8096 68.6183 176.5379 156 I 3.4629 7.2684 122.8235 64.1564 37.1061 178.2231 157 D 4.5131 8.3327 119.8853 57.2005 39.2932 178.6752 158 F 4.6000 8.4023 118.7229 60.9527 38.6771 177.5088 159 N 4.7783 8.2453 114.7337 55.8595 38.4606 176.6064 160 L 4.5917 8.0675 118.3506 56.0477 43.0148 178.0916 161 E 4.3740 8.7254 117.5273 57.3559 30.1201 177.0425 162 W 4.7636 7.7315 117.7635 56.4056 29.4419 177.9488 163 K 3.4017 8.2663 121.6304 59.5973 31.4790 178.9658 164 Q 3.8825 7.9043 114.8433 58.0639 28.4974 176.6690 165 F 5.0178 8.1202 115.6451 57.2258 40.0545 175.3889 166 H 4.5757 7.7940 118.6367 55.7959 29.3394 175.3889 167 R 3.9809 8.7630 122.3085 56.8109 31.1360 175.2741 168 E 4.0758 8.6940 126.6192 57.2810 30.2794 176.8033 169 G 3.8288 9.0707 113.9577 45.5580 0.0000 172.8973 170 A 4.1778 7.5619 122.1098 50.9868 18.8856 176.7181 171 P 4.3061 0.0000 0.0000 62.6314 32.0482 176.3483 172 N 4.6770 8.4760 119.3236 52.7062 37.9436 174.6841 173 L 4.4356 8.3569 125.1299 55.7575 42.9444 176.3677 174 Y 5.2389 7.9297 118.7981 55.4095 38.8360 172.9884 175 P 4.3516 0.0000 0.0000 62.2574 33.1217 177.6431 176 A 3.8387 8.9258 125.5247 55.4681 18.1753 179.2808 177 E 4.1933 8.1239 110.2698 57.8863 29.5219 177.6672 178 L 4.5756 7.9802 119.5635 55.0365 42.5269 178.3539 179 R 3.5883 7.4979 118.1929 58.9307 29.9672 178.3175 180 E 4.1992 7.9648 116.2604 59.0274 28.7331 179.1989 181 E 4.0773 7.6852 120.6075 55.6743 29.0488 178.5419 *183 A 4.3524 8.2048 120.4973 51.2882 20.5240 177.3902 184 P 4.4136 0.0000 0.0000 65.7206 31.9804 178.8322 185 V 4.0923 7.4537 114.1918 63.9498 31.2538 177.0625 *187 K 4.3934 8.1190 121.0678 56.2185 33.9089 177.7545 188 R 3.9251 8.3672 118.5862 59.4867 29.7920 178.5602 189 I 3.9623 8.2637 119.6852 64.2962 37.0853 178.1026 190 F 4.8622 8.6402 122.5907 61.2722 39.1514 177.1307 191 T 3.6733 8.3331 109.3595 64.1901 68.7224 175.9914 192 E 4.3013 8.3715 120.1996 56.6414 30.1411 176.8261 193 V 4.0505 7.4726 115.6745 64.1211 33.8212 176.9478 194 N 4.4649 8.7859 118.5929 56.0332 38.4242 177.1403 195 N 4.8600 8.4712 117.4334 55.4421 38.7796 177.7518 196 G 3.6203 7.3888 107.9355 47.9043 0.0000 176.1267 197 V 3.5003 7.6027 114.2628 64.3677 31.3554 178.3410 198 Y 3.3787 7.8086 115.9645 60.8557 37.5701 178.4497 199 R 3.9568 8.3738 119.3749 59.4624 29.8915 179.3211 200 T 4.0474 7.7214 115.0003 66.5524 68.5504 176.8264 201 G 2.9670 7.4338 106.4953 47.4393 0.0000 174.3708 202 F 4.8244 7.4054 117.1530 56.7066 39.1603 175.7585 203 A 4.0518 7.2562 124.6077 52.8727 18.3624 178.8788 204 G 3.8833 8.6613 110.4540 46.6812 0.0000 173.8236 205 S 4.6205 7.4834 113.9053 55.8651 67.1454 174.6188 206 Q 3.9328 8.6405 122.7836 59.4503 28.7442 178.0722 207 E 3.9209 8.1772 119.4409 59.3851 29.7638 178.5506 208 A 4.0497 7.9124 120.4579 55.0650 18.3054 179.1127 209 H 4.0526 8.4355 116.9473 59.5540 29.9993 176.9265 210 N 4.2179 8.6216 118.6416 56.6999 38.4401 176.9814 211 E 4.0320 8.2581 119.9813 58.9831 29.7160 178.5276 212 A 4.0145 8.1381 121.0114 55.2252 18.4419 178.9722 213 Y 4.0703 8.3676 118.4260 60.6883 38.8879 178.1430 214 K 4.1232 8.3616 120.6245 59.6933 32.4708 178.9705 215 R 3.9285 8.0736 118.3296 59.0538 29.9104 178.5566 216 L 4.2295 7.8797 121.4884 57.5533 41.9516 179.2090 217 W 3.9491 8.0153 118.3471 59.0251 28.9920 178.7883 218 V 3.6539 8.0354 118.4235 66.0924 30.8699 178.0138 219 A 4.2920 7.9457 119.9927 55.2470 18.1874 179.6108 220 L 3.7777 8.1593 117.9384 57.9119 41.5578 179.4765 221 D 4.4067 8.6348 119.3091 56.9842 40.7528 178.4567 222 W 4.2994 8.3953 128.8227 60.7009 30.6530 177.9734 223 L 3.1077 7.9379 118.8551 57.4556 40.7395 179.0628 224 E 3.7757 8.0248 118.4167 59.2365 29.8041 178.2045 225 D 4.3828 8.0320 118.0324 57.2102 41.5339 177.9704 226 R 3.8158 8.0437 119.6481 59.4081 29.7909 177.6410 227 L 4.3215 7.6317 115.6803 55.3426 41.8404 178.5915 228 S 4.4822 7.8422 115.2730 60.4054 63.1519 174.6854 229 T 4.5847 7.2925 108.3415 60.8000 69.6458 173.7621 230 R 4.5885 7.5265 120.2722 54.3633 33.8854 175.0698 231 R 3.6913 8.7876 122.8819 58.9495 30.1690 175.3545 232 Y 5.1420 7.5258 112.3986 55.7532 41.1097 176.4192 233 L 4.0341 9.1599 116.1153 56.2402 41.9916 178.3526 *235 G 4.0863 7.5307 109.1353 45.6669 0.0000 176.7125 236 D 4.4243 8.7388 123.6733 56.4357 41.6693 174.7882 237 H 5.8639 7.8979 112.9951 52.3574 32.8668 173.5576 238 I 3.8918 7.9499 121.8294 61.6286 37.7606 175.7079 239 T 4.9081 8.9958 115.1485 58.7173 72.4795 174.1295 240 E 3.9454 9.1843 121.3815 59.8310 29.1956 178.6353 241 A 4.1633 7.8190 119.8197 55.5622 18.4152 179.4185 242 D 4.7625 8.2478 118.4861 57.0223 40.6881 179.0501 243 I 4.1082 7.8466 119.1645 64.0639 37.2323 177.8647 244 R 4.3594 7.9870 117.7170 57.9366 30.3999 178.1205 245 L 4.3319 7.8887 120.1982 57.8410 42.2560 177.6293 246 Y 4.3103 8.6394 120.0198 60.7896 38.4310 176.7309 247 P 4.1655 0.0000 0.0000 65.6425 31.4553 178.5803 248 T 4.3291 7.8781 114.2492 66.7725 68.5995 176.7299 249 L 4.1463 7.8624 120.7613 57.7373 41.4547 179.7197 250 V 4.0917 7.8065 117.6287 63.5632 31.9056 177.5048 251 R 4.2846 7.5814 117.5802 56.0363 30.3185 177.8134 252 F 3.9847 8.0478 122.1765 61.5787 39.3706 176.9117 253 D 4.5026 8.2985 116.7521 57.1856 41.0357 177.8606 254 A 4.1432 8.0158 121.0874 54.4787 18.8707 177.2558 255 V 4.0650 7.4775 112.9866 64.6070 33.5588 177.1412 256 Y 3.8531 6.9318 116.5926 61.1529 38.4099 178.0441 257 H 3.7023 8.3796 120.0878 58.8205 30.3083 176.5348 258 G 3.8093 7.9871 106.3420 47.6483 0.0000 175.0766 259 H 4.0597 8.2067 119.6951 58.1906 30.0912 175.9569 260 F 4.8219 8.0025 115.3321 56.4240 38.9462 175.8477 261 K 3.8756 7.7849 118.3026 57.7766 29.8717 176.1244 262 C 4.6599 8.0952 115.8593 61.1450 28.9004 175.3087 263 G 3.9104 7.6554 110.1389 44.9164 0.0000 173.3285 264 R 3.9019 8.1102 121.5958 59.1656 30.4996 175.9402 265 N 5.1221 7.2370 111.0787 51.4460 42.9006 174.2140 266 K 4.6096 8.9564 119.7735 56.0459 32.8842 178.6949 267 I 3.6653 8.9778 123.3222 64.6695 37.1187 178.1209 268 T 2.4800 6.9631 108.9467 63.4352 68.6468 174.7987 269 E 4.2009 7.4267 123.8285 54.3347 28.2833 173.4606 *271 P 4.6145 0.0000 0.0000 62.6065 34.0878 179.2590 272 N 4.3443 8.9809 115.8518 56.3795 38.3091 177.5924 273 L 4.0159 8.5947 120.7979 57.4520 41.6755 179.4791 274 W 4.6103 8.2962 128.1181 60.3330 30.6880 178.0372 275 G 3.5147 8.2613 105.7807 48.0080 0.0000 174.8086 276 Y 4.0301 8.2287 122.7682 60.2742 38.7363 178.0510 277 L 4.0538 8.4504 121.4827 58.2929 42.1498 179.2150 278 R 3.8567 7.7782 118.0427 58.9332 29.6651 178.3024 279 D 3.8833 7.8152 117.2139 57.2415 41.3750 178.0869 280 L 3.3215 7.6723 119.2881 57.5828 41.7067 179.1201 281 F 4.1598 8.6108 120.8421 61.5418 39.0856 176.3004 282 Q 4.4391 8.1682 114.2295 55.6403 29.3745 175.7538 283 T 4.4189 7.4129 118.7684 61.3169 69.7935 172.6943 284 P 4.4057 0.0000 0.0000 64.6341 31.9043 175.1177 285 G 3.9075 9.0353 109.2707 45.4628 0.0000 173.7946 286 F 3.9444 7.3842 117.6911 58.3591 40.2118 178.0424 287 G 2.5499 7.9951 109.6439 48.5491 0.0000 174.4748 288 D 4.5088 7.8029 116.1089 54.0396 39.5422 176.3742 289 T 4.4091 7.8026 108.7191 61.6033 69.1536 173.5136 290 T 4.0993 7.8061 119.3506 62.4733 69.3666 174.4813 291 D 4.6229 7.9720 126.8646 52.3509 42.1778 176.1160 292 F 4.2541 8.3441 126.9347 60.5375 39.0420 177.6857 293 T 3.9488 8.0288 115.1551 66.7676 68.3923 176.5196 294 E 4.0273 8.7067 120.5884 59.1630 29.2900 179.2923 295 I 3.7686 7.8227 119.9728 64.5930 37.2756 178.6321 296 K 4.2078 8.3154 119.0567 59.5826 31.9261 179.5566 297 Q 4.0555 8.3229 118.3735 59.1462 28.5802 178.0524 298 H 4.0607 8.2361 119.1854 59.6792 29.7469 176.8956 299 Y 3.6023 7.7465 118.1574 61.3528 37.6292 178.1293 300 Y 3.9742 8.0931 117.4852 60.5441 37.6976 178.1521 301 I 4.0643 7.7204 119.9981 64.2205 37.6596 178.0912 302 T 4.0968 7.8772 115.7804 66.0421 69.9115 176.0249 303 H 4.9107 7.8552 119.8811 54.5406 25.0844 176.0439 304 A 4.2868 7.8587 126.3736 54.9358 19.2584 179.9483 305 E 4.0562 8.3285 115.9474 59.0498 30.0507 177.7775 306 I 4.1591 7.9414 118.3235 62.9750 38.2395 175.5176 307 N 5.0991 8.3225 118.3383 50.7522 38.4563 172.6343 308 P 4.5167 0.0000 0.0000 64.7233 32.0667 178.9396 309 T 3.9199 7.9698 108.0711 62.6036 68.9062 174.9289 310 R 4.2136 7.9650 118.6324 56.0708 28.3630 176.0212 311 I 3.9117 7.4424 118.9365 60.9777 37.6475 175.6521 312 V 3.8246 8.0001 124.3838 60.2394 32.2152 173.8815 313 P 4.1997 0.0000 0.0000 62.3977 31.8166 176.8637 314 V 3.5597 8.3147 121.8567 65.6572 31.6688 176.6269 315 G 3.8790 7.5741 107.6709 43.5474 0.0000 170.7450 316 P 4.4481 0.0000 0.0000 61.3378 32.2776 175.5071 317 D 4.3067 8.4304 118.8058 54.8889 41.3436 176.4004 318 L 4.5768 8.4766 125.5631 54.8963 42.1714 178.3731 319 S 4.1108 8.6982 116.1825 60.9659 62.9066 176.4633 320 G 3.8531 8.1451 109.1225 47.7598 0.0000 175.3276 321 F 3.7024 7.9083 118.7814 59.4973 38.8132 176.3966 322 A 4.4141 6.8129 117.9128 51.4371 19.4301 177.3997 323 T 4.0622 6.7564 107.7273 59.9574 69.7931 173.0738 324 P 4.1913 0.0000 0.0000 63.2965 31.4966 176.2385 325 H 4.2298 8.5292 118.0582 55.4662 29.6341 177.0671 326 G 3.9913 7.8356 106.7360 46.3070 0.0000 175.0328 327 R 4.0878 7.6582 119.2853 57.7762 29.8252 178.0654 328 E 4.0975 8.1272 117.6336 58.1157 29.3925 178.5624 329 K 3.9813 7.8290 119.8318 59.8475 32.3962 177.8870 330 L 4.3238 7.7378 117.6549 55.8181 42.1603 178.0983 331 G 3.6280 8.2702 108.3425 45.5270 0.0000 173.3891 332 G 3.8869 8.5262 108.4095 47.0599 0.0000 172.6913 333 S 4.6839 7.9856 110.6646 57.2807 66.0504 175.8420 334 P 3.6914 0.0000 0.0000 64.5847 31.1680 176.6940 335 F 5.1719 7.2873 113.8183 55.0260 42.2237 174.6882 336 A 3.9556 8.2380 125.8613 51.2617 19.0287 176.6570 337 E 4.1185 8.4627 120.5213 58.0080 29.8314 177.4699 338 G 3.9704 8.9471 113.9749 45.1525 0.0000 173.5008 339 V 4.0860 7.4359 120.3339 62.9357 32.0597 175.7598 340 T 4.4275 8.2993 117.8170 60.9139 70.2356 174.3111 341 L 4.3236 8.1514 122.3879 52.9378 43.2243 175.1115 342 P 4.1816 0.0000 0.0000 62.5425 31.8020 177.0211 343 G 3.8695 8.2141 110.6750 43.9823 0.0000 171.2876 344 P 4.2366 0.0000 0.0000 62.3463 31.6621 176.6245 345 I 3.7311 8.1401 122.6213 60.2915 38.6812 174.0429 346 P 4.3439 0.0000 0.0000 61.8303 31.9462 175.6595 347 A 4.0918 8.3374 124.0456 54.1495 18.5716 178.0536 348 G 3.9942 9.2072 111.7643 45.2345 0.0000 174.0312 349 E 4.4330 7.8118 117.0394 55.8671 30.1670 176.1365 350 E 4.1374 7.7286 117.0709 55.3261 30.5078 176.7648 351 V 3.5798 8.0765 120.1808 63.0172 31.9245 176.1888 352 K 4.0869 8.7083 128.5702 58.6189 32.8567 176.6164 353 N 5.0503 7.7269 114.7716 50.8653 38.3145 172.4829 354 P 4.5214 0.0000 0.0000 62.4262 32.8236 177.1857 355 E 4.1579 8.8058 120.3000 55.0909 30.0890 176.3467 356 P 4.1793 0.0000 0.0000 65.3651 31.3687 177.6066 357 F 4.7153 7.4232 110.3718 56.9771 38.5228 175.2690 358 Q 4.5954 7.5443 123.8733 55.0813 30.1159 176.4704 359 K 4.0490 8.3804 121.6397 55.6318 32.6473 173.7162 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 26 N 8.42 4.69 0.00 2.89 2.89 0.00 0.00 5.90 6.66 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 27 Y 8.63 4.64 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.25 4.39 1.72 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 1.32 0.60 0.94 0.00 0.00 29 D 8.06 4.92 0.00 2.60 2.10 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 30 D 8.17 4.89 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.82 4.73 0.00 1.66 1.71 0.00 3.09 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 32 I 8.30 4.94 1.99 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.32 0.75 0.00 0.00 33 V 8.92 4.66 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 0.61 0.00 0.00 1.02 0.00 0.00 34 A 9.08 3.91 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 35 D 7.98 4.68 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.39 4.32 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 1.07 0.00 0.00 0.99 0.00 0.00 37 P 0.00 4.50 0.00 2.26 2.16 0.00 3.78 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 2.07 1.96 0.00 38 A 8.41 4.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 9.49 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 40 S 7.56 4.26 0.00 3.91 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.35 4.03 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 42 P 0.00 4.19 0.00 1.22 0.49 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.44 0.00 43 I 8.71 4.53 1.88 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 1.25 1.09 0.88 0.00 0.00 44 A 8.65 3.37 0.86 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 45 Q 8.39 4.39 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.03 0.00 46 E 8.68 3.89 0.00 1.90 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 2.26 2.21 0.00 47 D 7.94 4.47 0.00 2.75 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 48 G 7.99 3.77 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 0.00 0.00 0.00 49 T 8.15 4.55 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 50 F 9.60 5.28 0.00 3.29 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 51 H 9.30 5.69 0.00 3.09 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.57 5.26 0.00 3.19 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 53 P 0.00 5.18 0.00 2.16 2.29 0.00 3.82 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 54 V 8.17 3.14 1.74 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 0.19 0.00 0.00 55 E 8.13 4.73 0.00 2.01 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 0.00 2.15 2.31 0.00 56 A 8.30 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.66 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 58 R 7.42 4.27 0.00 1.64 1.14 0.00 3.15 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 59 Y 7.79 5.39 0.00 3.00 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 60 R 9.08 4.89 0.00 1.80 1.74 0.00 3.12 0.00 0.00 3.18 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 61 L 9.08 4.71 0.00 1.79 1.65 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.99 4.72 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 0.87 0.00 0.00 0.92 0.00 0.00 63 A 9.19 5.15 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 64 A 8.09 5.06 1.20 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 0.00 0.00 65 R 8.87 3.71 0.00 1.88 1.92 0.00 3.26 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 66 A 7.78 4.04 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 67 C 7.66 4.43 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 68 P 0.00 4.25 0.00 1.80 2.23 0.00 3.74 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 2.09 0.00 69 W 7.28 4.07 0.00 2.94 2.31 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 70 A 8.08 4.17 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.27 4.11 0.00 3.40 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.88 3.96 0.00 2.02 2.07 0.00 3.45 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 73 T 7.92 4.04 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 1.21 0.00 0.00 74 V 7.73 3.56 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 1.01 0.00 0.00 0.95 0.00 0.00 75 I 7.76 3.54 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.48 -0.10 0.00 0.00 76 T 7.75 3.80 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 77 R 8.05 3.49 0.00 1.69 2.02 0.00 2.85 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.00 78 R 7.81 3.84 0.00 1.82 1.89 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 79 L 7.77 3.88 0.00 1.68 1.67 0.88 1.22 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 80 L 8.04 4.16 0.00 1.55 1.39 0.94 0.65 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 81 G 7.58 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.76 4.47 0.00 1.35 1.14 0.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.91 3.88 0.00 1.87 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 2.20 2.19 0.00 84 N 7.92 4.71 0.00 2.66 2.80 0.00 0.00 6.70 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.46 4.19 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.88 0.00 0.00 86 I 7.32 4.96 1.47 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 0.95 0.02 0.83 0.00 0.00 87 S 8.46 4.47 0.00 3.81 3.96 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 88 L 8.33 4.80 0.00 1.55 1.50 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 G 9.16 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 0.00 0.00 0.00 0.00 90 L 8.55 5.27 0.00 1.50 1.57 0.88 0.80 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 91 T 9.10 4.43 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 1.20 0.00 0.00 92 G 8.64 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 0.00 0.00 0.00 0.00 93 P 0.00 4.53 0.00 1.83 1.85 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.85 0.00 94 T 7.98 4.58 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 1.27 0.00 0.00 95 H 8.31 4.22 0.00 3.37 3.58 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 I 7.49 3.86 1.87 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 1.47 0.76 0.91 0.00 0.00 134 T 8.37 4.61 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 0.00 135 V 8.04 4.46 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 0.84 0.00 0.00 0.95 0.00 0.00 136 P 0.00 4.95 0.00 2.14 2.21 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 137 A 8.63 4.89 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 0.00 138 L 8.65 4.92 0.00 1.44 1.44 0.82 0.63 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 0.00 139 V 8.63 4.74 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 0.92 0.00 0.00 0.91 0.00 0.00 140 E 9.06 4.57 0.00 2.09 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 2.27 0.00 141 E 9.24 3.97 0.00 2.05 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 2.33 2.25 0.00 142 S 8.21 4.26 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.01 4.34 0.00 4.05 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 0.00 144 K 8.20 3.97 0.00 1.96 1.99 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.54 7.81 145 K 7.78 4.25 0.00 1.89 1.84 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.45 7.81 146 V 8.27 3.87 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 0.67 0.00 0.00 0.91 0.00 0.00 147 V 8.40 3.40 1.70 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 -0.16 0.00 0.00 -0.27 0.00 0.00 148 T 7.34 4.70 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 149 N 8.47 5.28 0.00 2.81 2.81 0.00 0.00 6.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.23 4.65 0.00 2.65 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 0.00 151 Y 8.12 4.18 0.00 3.34 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 0.00 152 P 0.00 4.21 0.00 1.93 1.91 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 153 S 7.47 4.11 0.00 4.05 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 0.00 154 I 7.22 3.33 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.03 0.00 0.00 155 T 7.26 3.67 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 1.19 0.00 0.00 156 I 7.27 3.46 1.73 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.80 0.00 0.00 157 D 8.33 4.51 0.00 2.77 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 0.00 158 F 8.40 4.60 0.00 3.12 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 0.00 159 N 8.25 4.78 0.00 2.99 3.05 0.00 0.00 7.00 7.78 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 0.00 160 L 8.07 4.59 0.00 1.73 1.80 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.73 4.37 0.00 2.15 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 2.39 2.65 0.00 162 W 7.73 4.76 0.00 3.86 3.38 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 0.00 163 K 8.27 3.40 0.00 1.75 1.81 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.51 1.59 7.81 164 Q 7.90 3.88 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.85 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 165 F 8.12 5.02 0.00 3.35 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 0.00 166 H 7.79 4.58 0.00 3.11 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.76 3.98 0.00 1.86 1.77 0.00 3.04 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 168 E 8.69 4.08 0.00 2.02 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 2.29 2.32 0.00 169 G 9.07 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 0.00 0.00 0.00 170 A 7.56 4.18 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 0.00 171 P 0.00 4.31 0.00 2.30 2.09 0.00 3.68 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.73 0.00 172 N 8.48 4.68 0.00 2.75 2.86 0.00 0.00 7.04 7.78 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 0.00 173 L 8.36 4.44 0.00 2.05 1.79 1.00 0.81 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 0.00 174 Y 7.93 5.24 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.35 0.00 2.47 2.18 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 176 A 8.93 3.84 1.30 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 0.00 0.00 177 E 8.12 4.19 0.00 2.08 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 2.28 2.28 0.00 178 L 7.98 4.58 0.00 1.64 1.73 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 179 R 7.50 3.59 0.00 1.69 1.80 0.00 2.90 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 180 E 7.96 4.20 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 181 E 7.69 4.08 0.00 1.90 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 2.37 2.31 0.00 *183 A 8.20 4.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 P 0.00 4.41 0.00 2.26 2.34 0.00 3.92 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 2.22 1.99 0.00 185 V 7.45 4.09 2.26 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 1.14 0.00 0.00 1.16 0.00 0.00 *187 K 8.12 4.39 0.00 1.93 2.04 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.59 7.81 188 R 8.37 3.93 0.00 1.86 2.02 0.00 2.49 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 189 I 8.26 3.96 2.12 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 1.63 1.08 1.12 0.00 0.00 190 F 8.64 4.86 0.00 3.28 3.43 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 0.00 191 T 8.33 3.67 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 192 E 8.37 4.30 0.00 2.14 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 2.41 2.40 0.00 193 V 7.47 4.05 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 1.02 0.00 0.00 0.95 0.00 0.00 194 N 8.79 4.46 0.00 3.27 3.11 0.00 0.00 6.63 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 N 8.47 4.86 0.00 2.65 2.78 0.00 0.00 6.97 7.23 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 0.00 196 G 7.39 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.60 3.50 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.01 0.00 0.00 198 Y 7.81 3.38 0.00 3.25 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.42 2.48 0.00 207 E 8.18 3.92 0.00 2.08 1.94 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 2.39 2.39 0.00 208 A 7.91 4.05 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 0.00 209 H 8.44 4.05 0.00 3.27 3.49 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 N 8.62 4.22 0.00 2.91 2.89 0.00 0.00 6.76 7.62 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 0.00 211 E 8.26 4.03 0.00 2.13 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 2.32 2.39 0.00 212 A 8.14 4.01 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 0.00 213 Y 8.37 4.07 0.00 2.91 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 0.00 214 K 8.36 4.12 0.00 2.17 2.03 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.60 7.81 215 R 8.07 3.93 0.00 2.07 2.12 0.00 3.20 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 216 L 7.88 4.23 0.00 1.70 1.66 0.75 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 217 W 8.02 3.95 0.00 3.26 3.15 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 0.00 218 V 8.04 3.65 2.25 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 1.03 0.00 0.00 1.02 0.00 0.00 219 A 7.95 4.29 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.16 3.78 0.00 1.24 1.40 -0.75 0.63 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 0.00 221 D 8.63 4.41 0.00 3.02 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 0.00 222 W 8.40 4.30 0.00 3.39 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 L 7.94 3.11 0.00 1.61 1.28 0.78 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 232 Y 7.53 5.14 0.00 3.14 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 0.00 233 L 9.16 4.03 0.00 1.78 1.72 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *235 G 7.53 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 0.00 0.00 0.00 236 D 8.74 4.42 0.00 2.43 2.46 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 0.00 237 H 7.90 5.86 0.00 3.04 3.27 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 7.95 3.89 1.67 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 0.27 -0.36 0.92 0.00 0.00 239 T 9.00 4.91 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 1.30 0.00 0.00 240 E 9.18 3.95 0.00 2.17 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 0.00 2.19 2.45 0.00 241 A 7.82 4.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 D 8.25 4.76 0.00 2.93 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 0.00 243 I 7.85 4.11 2.11 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 1.61 0.64 0.91 0.00 0.00 244 R 7.99 4.36 0.00 2.00 2.21 0.00 3.28 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 245 L 7.89 4.33 0.00 1.90 1.90 0.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 246 Y 8.64 4.31 0.00 3.25 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 0.00 247 P 0.00 4.17 0.00 2.03 2.19 0.00 3.91 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 248 T 7.88 4.33 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 1.36 0.00 0.00 249 L 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7.41 4.42 4.05 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 1.18 0.00 0.00 284 P 0.00 4.41 0.00 2.13 2.03 0.00 3.81 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 2.16 2.16 0.00 285 G 9.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 286 F 7.38 3.94 0.00 3.04 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 0.00 0.00 0.00 287 G 8.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 D 7.80 4.51 0.00 2.72 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 0.00 289 T 7.80 4.41 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 1.15 0.00 0.00 290 T 7.81 4.10 4.23 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 0.49 0.00 0.00 291 D 7.97 4.62 0.00 2.59 2.46 0.00 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0.00 0.00 0.00 0.00 0.00 308 P 0.00 4.52 0.00 2.25 2.22 0.00 3.49 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 309 T 7.97 3.92 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 0.00 310 R 7.96 4.21 0.00 2.02 2.10 0.00 3.15 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 311 I 7.44 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.86 0.00 0.00 312 V 8.00 3.82 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 0.71 0.00 0.00 0.96 0.00 0.00 313 P 0.00 4.20 0.00 1.97 1.76 0.00 2.34 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.57 0.00 314 V 8.31 3.56 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 0.74 0.00 0.00 0.88 0.00 0.00 315 G 7.57 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 316 P 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 333 S 7.99 4.68 0.00 4.02 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 0.00 334 P 0.00 3.69 0.00 0.60 1.33 0.00 3.46 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 1.82 1.89 0.00 335 F 7.29 5.17 0.00 3.04 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 0.00 336 A 8.24 3.96 1.20 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 0.00 0.00 337 E 8.46 4.12 0.00 1.97 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 2.32 2.35 0.00 338 G 8.95 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 0.00 339 V 7.44 4.09 2.26 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 0.53 0.00 0.00 0.97 0.00 0.00 340 T 8.30 4.43 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 1.21 0.00 0.00 341 L 8.15 4.32 0.00 1.52 1.61 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 342 P 0.00 4.18 0.00 1.98 1.90 0.00 3.62 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 343 G 8.21 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 0.00 344 P 0.00 4.24 0.00 2.03 1.99 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 345 I 8.14 3.73 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.88 0.00 0.00 346 P 0.00 4.34 0.00 2.17 1.91 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 347 A 8.34 4.09 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 0.00 348 G 9.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 E 7.81 4.43 0.00 2.04 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 2.22 2.17 0.00 350 E 7.73 4.14 0.00 2.04 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 2.25 2.22 0.00 351 V 8.08 3.58 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 0.82 0.00 0.00 0.93 0.00 0.00 352 K 8.71 4.09 0.00 1.73 1.94 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.44 7.81 353 N 7.73 5.05 0.00 2.99 2.72 0.00 0.00 7.05 8.66 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 0.00 354 P 0.00 4.52 0.00 2.12 2.01 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 355 E 8.81 4.16 0.00 1.16 1.20 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 2.33 2.29 0.00 356 P 0.00 4.18 0.00 2.13 2.16 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 357 F 7.42 4.72 0.00 3.22 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 0.00 358 Q 7.54 4.60 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.13 0.00 359 K 8.38 4.05 0.00 1.75 1.52 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.10 0.80 7.81 * Residues marked with a * may have inaccurate shift predictions.