NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 A 4.2624 8.2493 123.5821 52.2949 19.8623 174.5934 0 S 4.8340 8.1193 112.1466 55.9878 66.1158 171.8940 2 I 4.6555 8.2313 119.2051 60.0429 42.3693 175.2297 3 L 4.7685 8.6673 129.4432 53.8748 43.5500 174.9681 4 E 5.9102 9.0097 125.5898 53.8539 33.0686 175.0709 5 L 5.6029 8.5653 121.0826 53.3298 47.0453 174.8278 6 D 5.0624 9.7012 121.9152 53.0169 43.9053 174.7561 7 C 4.8362 9.5919 126.5231 58.5232 28.6106 174.3925 8 G 4.0923 8.6561 114.3253 44.1510 0.0000 171.6300 9 N 4.4950 8.7795 116.0669 55.6160 38.4850 176.4419 10 S 4.7478 7.9450 108.1559 57.7075 64.2331 173.0780 11 L 4.9743 7.4443 119.8155 53.7929 46.6151 174.6629 12 I 4.9558 8.7574 121.2669 59.6821 40.6630 174.3332 13 K 5.2141 9.0426 129.3724 54.6442 34.1583 175.1451 14 W 5.9800 8.7071 123.1943 55.3949 32.2343 173.7736 15 R 4.5046 8.7009 115.4600 55.2651 32.7576 173.6044 16 V 4.8829 8.7850 120.8759 61.0747 34.2440 174.2904 17 I 4.9254 8.6281 121.2661 59.0755 40.8333 174.0640 18 E 4.6572 9.2881 125.2910 55.3132 31.9656 176.7683 19 G 3.8696 8.6226 112.9183 45.9152 0.0000 173.9672 20 A 4.0556 8.8021 121.8483 55.3264 18.5790 179.3368 21 A 4.3186 7.4571 113.5684 52.7500 20.4469 175.7088 22 R 4.1196 7.8547 120.7887 56.6506 30.0384 175.7311 23 S 4.6256 8.5017 120.9866 58.2874 62.9173 173.7422 24 V 4.4422 8.0106 119.3036 60.9948 33.1583 175.2307 25 A 4.2870 7.0159 120.1240 51.2083 22.2611 175.3536 26 G 2.3951 7.7663 106.2659 45.8349 0.0000 171.6694 27 G 4.0417 5.5772 105.8551 45.8256 0.0000 172.0535 28 L 5.5168 8.7636 118.8668 52.7955 44.6445 176.2631 29 A 4.8772 9.2501 126.1785 50.3264 21.2358 176.7120 30 E 4.3702 9.0542 121.1508 56.9070 30.4136 176.8029 31 S 4.6379 7.4019 112.6108 56.3131 66.6697 175.3103 32 D 4.3552 8.6051 123.0608 57.8598 40.5981 178.9461 33 D 4.4018 8.0856 118.6466 57.2384 40.8106 178.5069 34 A 4.0331 7.7324 121.4477 54.7638 18.2585 179.4671 35 L 3.8329 8.0690 119.1172 58.4443 42.2756 179.3711 36 V 3.4675 8.1374 118.5806 65.7840 31.1294 177.5275 37 E 3.8826 7.9153 118.1980 59.3876 29.7209 178.6224 38 Q 4.1770 8.1930 118.0422 59.1047 28.8712 178.7875 39 L 3.6003 7.8803 120.2490 57.8903 41.5845 179.5972 40 T 3.9204 7.9019 115.7051 66.6182 68.1362 176.0385 41 S 4.5243 7.7510 114.5391 59.7242 63.2799 175.1885 42 Q 4.7080 8.2468 120.7752 55.3551 29.2059 176.7050 43 Q 4.5304 7.7323 117.6428 58.2010 28.5926 177.1582 44 A 4.1771 7.9076 123.2944 54.5202 18.9696 177.9468 45 L 4.2360 8.0287 116.9267 53.8752 42.5532 176.6446 46 P 4.5953 0.0000 0.0000 62.5885 29.5862 176.7823 47 V 3.8260 7.3872 117.7424 63.8216 32.2350 175.3465 48 R 4.6563 8.3957 123.2136 55.4832 32.4160 174.1340 49 A 4.7170 7.5307 118.5838 51.4703 22.8593 175.3130 50 C 5.2856 8.3442 118.1297 58.3871 35.2947 172.9023 51 R 5.3540 8.9416 121.3530 54.9925 33.0091 173.6512 52 L 5.1465 8.6296 119.8107 55.1094 44.4526 173.9470 53 V 4.8129 8.8654 119.2179 60.1323 34.4904 174.5185 54 S 5.0672 8.6074 116.2745 56.9278 65.5262 173.5961 55 V 4.3841 8.4271 117.6408 61.3217 32.4958 176.1280 56 R 4.3732 7.8230 121.3565 54.6437 31.6190 176.7824 57 S 4.3055 8.2806 114.1207 58.4725 64.8006 174.7677 58 E 3.9252 8.7811 123.5388 59.6613 29.2587 179.2058 59 Q 3.9490 7.9560 118.9987 59.2387 29.4585 177.6653 60 E 4.4803 8.0056 120.7023 59.1149 29.4277 179.6662 61 T 3.9308 8.0471 115.8404 66.8001 68.6251 177.0639 62 S 4.2986 7.9216 116.5406 61.6013 62.6365 176.9869 63 Q 3.9608 8.0782 120.7510 58.8840 28.4739 178.3543 64 L 3.9412 7.7494 120.9009 58.2278 42.0702 179.0804 65 V 3.5771 8.4044 118.2482 65.9366 31.4683 177.8137 66 A 3.9964 8.0542 120.4249 55.3886 18.1269 179.8999 67 R 3.9163 8.1281 116.5122 59.1019 30.0702 179.4133 68 L 4.0402 8.0662 118.9857 57.9134 41.6105 179.1319 69 E 4.3357 8.3769 116.0648 58.2790 29.3578 178.4595 70 Q 4.2451 7.2537 117.3297 58.0132 29.4631 177.4770 71 L 3.8692 7.3220 118.8344 55.5553 42.1026 177.2384 72 F 5.0018 7.5058 116.0361 54.9731 42.9416 173.8729 73 P 4.6602 0.0000 0.0000 61.9271 29.3952 175.4186 74 V 4.5171 7.4660 117.8389 60.8212 36.0845 175.3877 75 S 4.6151 8.2625 115.8479 55.4323 62.0733 172.0586 76 A 4.2470 8.2878 126.1921 52.5126 18.9015 176.6164 77 L 4.5900 9.0598 122.8112 53.4141 43.9766 175.8800 78 V 4.8510 8.1826 122.0536 60.7388 33.6763 175.0520 79 A 4.4380 8.9167 130.6891 52.1285 18.9592 176.5234 80 S 4.7611 8.4365 113.9484 55.9839 66.5187 174.0524 81 S 4.2687 8.4873 116.7943 59.1635 63.1000 174.1898 82 G 4.2940 7.7846 109.5858 44.6818 0.0000 173.6785 83 K 3.8816 8.1958 119.7514 57.9441 32.6451 176.7596 84 Q 5.3329 7.5816 117.2594 55.2686 31.9981 173.0647 85 L 4.2601 9.3248 122.6656 55.4253 45.4847 174.8783 86 A 3.8325 9.8511 129.2225 53.3133 16.2467 177.4476 87 G 3.9179 8.4539 104.8133 46.8386 0.0000 173.2632 88 V 4.5795 7.7033 119.6391 60.7244 34.4061 174.2767 89 R 5.1176 9.1203 128.7212 54.4697 31.6442 174.8110 90 N 4.5562 8.9271 126.3357 54.3183 38.9893 174.8918 91 G 4.1382 9.0768 113.0572 45.1999 0.0000 173.4415 92 Y 4.3816 8.4903 118.4385 57.4529 38.6425 175.8587 93 L 3.9764 8.5175 123.3891 57.3428 42.0204 177.0332 94 D 4.8364 7.8311 120.7924 51.9773 41.1329 175.2284 95 Y 4.4791 8.8859 126.2347 60.1601 37.7316 178.9727 96 Q 3.6918 7.0248 117.6217 57.5427 28.8743 177.3755 97 R 4.0400 8.0294 116.8104 57.8656 30.4270 176.5556 98 L 3.3926 7.1417 119.9063 53.7090 42.3789 177.2427 99 G 3.7569 8.6055 112.7346 45.4180 0.0000 173.8732 100 L 4.1966 8.6701 125.2692 57.6694 41.8107 179.5134 101 D 4.3101 8.0234 118.7848 56.5673 39.3805 178.6952 102 R 3.9000 7.9316 119.4452 58.3993 30.1558 178.4427 103 W 4.4392 8.1611 128.0358 60.8574 30.7096 177.9948 104 L 3.6160 8.1416 118.4684 57.4586 40.9095 179.5845 105 A 3.8382 7.7845 120.6063 54.9907 18.3818 179.7199 106 L 3.7939 7.9795 118.5891 58.7719 40.3513 179.7554 107 V 3.1870 7.4290 118.9344 65.4185 31.3212 177.7634 108 A 3.7922 7.7892 120.3427 55.0051 18.1081 179.3219 109 A 2.7913 7.6667 119.2032 55.3772 18.3334 179.4356 110 H 4.0095 7.9343 116.6122 59.4560 29.6624 176.7906 111 H 4.0493 8.1863 119.6692 59.3500 29.7131 176.9266 112 L 4.0948 7.8570 119.4671 57.3553 41.5663 178.6514 113 A 4.3212 8.5044 120.7036 52.2923 18.7736 178.2019 114 K 3.9175 8.3371 114.4399 57.0341 30.2746 174.7091 115 K 4.8016 7.3007 116.0450 54.6030 36.9786 175.8816 116 A 4.5950 8.5755 122.7233 52.5549 19.5827 176.4662 117 C 5.3697 9.0882 115.1267 56.8442 34.1879 172.3846 118 L 5.1818 9.2495 122.6862 53.4395 44.1656 175.0980 119 V 5.0070 9.1120 126.6083 61.3712 34.2300 174.0144 120 I 5.0795 9.1385 129.5385 59.5401 40.5103 174.1661 121 D 5.1084 9.3960 127.5378 52.8483 42.9379 175.0510 122 L 4.6099 9.0465 129.3344 53.1669 40.6156 176.6984 123 G 4.6018 8.3128 115.3978 44.4987 0.0000 171.5024 124 T 3.9327 8.8543 114.8917 66.4797 69.3039 174.2807 125 A 5.0874 7.9792 121.4602 50.1511 22.5412 175.2099 126 V 4.8004 9.0827 120.5814 61.3829 34.1797 174.8628 127 T 5.3703 8.7191 116.3720 60.2030 72.8001 172.6441 128 S 5.3331 9.1710 117.2439 57.1259 66.0126 172.3808 129 D 5.5129 9.7050 126.2184 52.5721 45.2279 174.4129 130 L 5.1341 8.7088 120.9818 53.0028 45.2691 175.6594 131 V 4.9089 8.6427 122.3165 60.7864 34.7157 175.2436 132 A 4.4343 9.2777 130.6167 51.6688 18.9621 178.2162 133 A 4.0292 8.5649 122.6158 55.0731 18.5024 178.4944 134 D 4.6080 8.1221 113.2413 53.5400 39.8919 177.3000 135 G 3.5923 8.4142 108.4049 46.5194 0.0000 173.2303 136 V 4.2216 7.6921 120.4683 61.6479 32.1268 174.5661 137 H 4.9157 9.0806 128.2323 56.0640 30.1201 175.9339 138 L 3.9698 8.8117 128.0268 56.4454 42.3463 176.6749 139 G 3.6941 6.8544 103.7828 44.9767 0.0000 170.7811 140 G 4.4622 7.4689 105.3970 47.1560 0.0000 172.1909 141 Y 5.2810 9.2028 116.3883 56.5138 42.7692 174.8788 142 I 5.3131 8.4227 120.6639 60.1665 41.2169 174.2909 143 C 4.7560 8.7617 119.9309 56.2364 33.2666 171.5047 144 P 4.2919 0.0000 0.0000 64.3543 31.6452 176.7886 145 G 3.8888 8.9654 110.7166 46.0858 0.0000 175.9901 *147 T 4.1741 9.1012 118.6165 63.7069 70.8737 178.1064 148 L 4.0159 7.1093 118.2738 55.0301 40.6321 179.1646 *150 R 4.3343 7.8896 117.7337 56.2721 31.9282 177.8180 151 S 4.2222 8.0243 111.6858 60.1419 63.2026 174.7820 152 Q 4.2751 8.2086 121.9466 57.4976 29.5766 175.9705 153 L 4.6861 7.9192 116.4186 55.3430 43.4692 176.2527 154 R 4.5814 7.1217 121.7967 56.6029 31.0778 181.3699 *164 D 4.7476 9.0514 115.9100 54.4651 42.0308 177.3762 165 A 4.1704 7.7687 120.8802 54.5292 18.4305 179.1289 166 E 4.0177 8.1093 117.5420 59.1111 29.8594 178.5271 167 A 4.0918 8.0446 123.0051 55.7177 18.3591 180.2694 168 R 4.0123 7.8082 118.0218 61.2100 29.6466 181.1905 169 R 4.2925 7.5358 115.5655 59.5868 29.9295 178.7848 170 A 4.0914 7.6154 119.1873 54.6612 18.4855 178.6619 171 L 4.3525 7.7820 115.5980 54.9603 41.5967 178.5468 172 A 3.9997 7.7516 123.3142 54.3476 18.5877 178.0067 173 S 4.6516 7.4732 108.4275 57.0065 65.5651 173.4264 174 L 4.6129 8.3126 123.8808 54.5597 41.9209 176.7343 175 Q 4.2705 7.5418 118.6189 54.4237 29.3211 174.1742 176 P 4.2093 0.0000 0.0000 63.2663 31.7175 176.8940 177 G 3.8579 8.5081 111.3682 45.6422 0.0000 173.2331 178 Q 4.5913 8.8528 119.8029 54.8003 29.7025 175.8702 179 A 4.6355 7.5926 118.3982 49.8063 23.2912 177.4981 180 T 3.7998 8.6618 119.2705 67.0617 68.6031 176.5021 181 A 3.9894 8.0247 121.5340 55.3984 18.4060 179.3850 182 E 3.8772 8.1477 116.1614 59.3869 29.5877 179.1637 183 A 3.9837 8.1847 120.9803 55.1709 18.3735 179.8739 184 V 3.4992 7.7258 116.5195 66.2243 31.6842 178.0290 185 E 3.9531 8.0503 118.1791 59.7019 29.3619 179.7692 186 R 4.1071 8.2550 118.1290 58.7746 29.8495 179.3581 187 G 3.5962 8.0522 105.0674 48.1711 0.0000 175.2734 188 C 4.3050 8.1122 118.8923 62.1968 28.4339 175.7500 189 L 4.1775 7.9880 122.0139 57.7945 41.6476 179.4388 190 L 4.3106 7.9764 118.4404 54.6900 41.6014 178.9873 *192 L 4.2919 7.9139 121.9730 55.2928 44.0902 178.8811 193 R 4.5533 8.0667 119.2798 58.5897 29.8334 179.3609 194 G 3.6099 8.3553 105.7565 47.7026 0.0000 175.4100 195 F 4.1016 8.2898 122.9436 61.0828 39.4003 177.1522 196 V 3.4941 7.9357 117.7373 66.1416 31.3198 178.2619 197 R 3.9948 7.9443 117.4767 59.2044 29.6308 178.9031 198 E 3.9304 7.7950 117.8248 59.2022 29.4218 179.1245 199 Q 3.8674 7.3973 117.5367 58.9057 28.9793 177.5793 200 Y 4.2931 8.1052 120.3722 60.4925 38.8256 178.6771 201 A 4.0182 7.9404 118.2845 52.6538 18.1637 178.8856 *203 A 4.1984 7.9506 125.2905 53.9398 20.8072 179.7878 204 C 3.8889 7.9217 113.6336 62.9425 28.4113 176.0991 205 E 3.8806 7.9978 119.1522 58.7097 29.2863 177.4813 206 L 4.4482 7.7774 116.1592 55.1833 42.6638 177.0269 207 L 4.5028 8.8374 117.6638 53.7320 43.7233 177.5127 208 G 4.0378 7.8925 105.8368 44.5181 0.0000 173.0046 209 P 4.1409 0.0000 0.0000 64.8154 31.4833 176.9283 210 D 4.8556 7.9033 116.3153 53.1004 39.6020 176.1014 211 C 4.5338 7.4845 114.7115 58.7179 30.6145 173.2148 212 E 4.2306 9.0762 120.7389 56.4001 30.7589 175.6985 213 I 5.0181 8.0508 123.2533 59.5349 40.5337 174.2889 214 F 5.3040 9.6749 125.6644 55.6436 41.6174 174.2537 215 L 5.3594 9.1412 123.6976 53.5653 45.1269 175.6890 216 T 4.5036 8.7694 115.8540 61.3792 71.2716 173.7591 217 G 4.3970 8.4043 105.2661 46.7052 0.0000 174.7951 218 G 3.6430 8.4159 107.8739 47.5375 0.0000 174.2725 219 D 4.7992 8.2668 119.2093 54.1281 41.4243 178.0019 220 A 4.0220 7.7869 124.4586 55.3884 17.7504 179.9910 221 E 3.8972 8.2605 117.1822 59.5428 29.4082 178.7916 222 L 3.8659 7.7874 117.2913 56.6036 41.9812 177.8978 223 V 4.4580 7.8015 110.0693 60.3024 33.8801 177.5603 224 R 3.9728 7.6854 117.6641 58.9307 29.3140 178.7030 225 D 4.4096 8.0296 117.0490 55.9135 39.6813 177.4351 226 E 4.0358 8.3683 119.9694 58.2950 29.7147 175.7312 227 L 4.5307 7.5216 118.8017 51.4381 41.9182 176.3337 228 A 3.8429 8.3572 125.6123 54.9381 18.4509 179.1079 229 G 3.8343 7.7813 100.4197 45.2070 0.0000 173.5888 230 A 4.1355 7.7952 122.5202 52.2387 19.3160 177.6433 231 R 4.3126 8.7501 120.9350 55.1359 31.5796 176.7317 232 I 4.7928 8.0981 124.7539 59.0912 38.6727 174.0385 *234 P 4.4388 0.0000 0.0000 62.3625 33.1482 177.5610 235 D 4.9740 7.7756 116.2950 54.0184 41.6710 177.8583 236 L 3.8915 8.2654 122.9651 58.5932 41.7562 178.8712 237 V 3.5003 7.6564 118.1476 65.1273 30.9166 178.1323 238 F 4.4873 7.7350 117.5844 59.9673 38.4225 177.9154 239 V 3.7130 7.9367 118.5390 65.9576 31.3409 178.3882 240 G 3.5432 7.8554 105.0359 47.5003 0.0000 175.2925 241 L 3.9870 8.3076 122.8235 57.9065 41.8385 178.9646 242 A 4.0162 7.6574 120.1092 54.9810 18.3465 179.3166 243 L 4.0076 7.2691 115.3332 57.8046 41.7495 179.2170 244 A 4.3007 8.0185 119.9816 53.7504 19.6516 177.4600 245 C 4.7729 8.0966 114.5958 56.8422 28.6116 171.6683 246 P 4.5225 0.0000 0.0000 62.5224 32.0393 176.9329 247 I 4.3667 7.8326 120.7332 60.9469 40.5685 175.3626 248 E 4.1116 8.3457 120.5776 56.4956 31.0616 175.6537 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 A 8.25 4.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.12 4.83 0.00 3.92 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 2 I 8.23 4.66 1.80 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 1.07 0.49 0.86 0.00 0.00 3 L 8.67 4.77 0.00 1.41 1.34 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.01 5.91 0.00 1.27 1.64 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 2.12 1.91 0.00 5 L 8.57 5.60 0.00 1.72 1.67 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 D 9.70 5.06 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 9.59 4.84 0.00 2.91 2.91 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 8 G 8.66 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 9 N 8.78 4.49 0.00 2.71 2.90 0.00 0.00 6.59 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.94 4.75 0.00 3.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.44 4.97 0.00 1.59 1.57 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.76 4.96 1.99 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 1.17 0.89 1.06 0.00 0.00 13 K 9.04 5.21 0.00 1.88 1.71 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.39 7.81 14 W 8.71 5.98 0.00 3.54 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 15 R 8.70 4.50 0.00 1.70 1.65 0.00 2.44 0.00 0.00 2.68 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.14 0.00 16 V 8.78 4.88 2.15 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 1.02 0.00 0.00 1.04 0.00 0.00 17 I 8.63 4.93 1.80 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 1.12 0.59 0.75 0.00 0.00 18 E 9.29 4.66 0.00 1.94 1.79 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 2.19 2.20 0.00 19 G 8.62 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 20 A 8.80 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.46 4.32 1.21 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 22 R 7.85 4.12 0.00 1.86 1.93 0.00 3.08 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 23 S 8.50 4.63 0.00 3.77 3.68 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 24 V 8.01 4.44 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 0.70 0.00 0.00 0.99 0.00 0.00 25 A 7.02 4.29 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 26 G 7.77 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 5.58 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 0.00 0.00 0.00 28 L 8.76 5.52 0.00 1.52 1.61 1.00 0.67 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 29 A 9.25 4.88 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.05 4.37 0.00 2.00 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 2.31 2.33 0.00 31 S 7.40 4.64 0.00 4.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.61 4.36 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 33 D 8.09 4.40 0.00 2.72 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 34 A 7.73 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.07 3.83 0.00 1.79 1.81 0.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.14 3.47 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.92 0.00 0.00 37 E 7.92 3.88 0.00 2.11 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 2.33 2.41 0.00 38 Q 8.19 4.18 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.79 0.00 39 L 7.88 3.60 0.00 1.46 1.65 0.82 -0.36 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 40 T 7.90 3.92 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 1.21 0.00 0.00 41 S 7.75 4.52 0.00 3.99 3.95 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 42 Q 8.25 4.71 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.82 0.00 43 Q 7.73 4.53 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 44 A 7.91 4.18 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 45 L 8.03 4.24 0.00 1.72 1.62 1.05 0.95 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 46 P 0.00 4.60 0.00 2.41 2.25 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 47 V 7.39 3.83 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 0.38 0.00 0.00 0.50 0.00 0.00 48 R 8.40 4.66 0.00 1.76 1.85 0.00 3.28 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 49 A 7.53 4.72 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 50 C 8.34 5.29 0.00 2.94 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 51 R 8.94 5.35 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 52 L 8.63 5.15 0.00 2.02 1.85 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.87 4.81 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 0.74 0.00 0.00 0.95 0.00 0.00 54 S 8.61 5.07 0.00 3.87 3.73 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 55 V 8.43 4.38 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 0.74 0.00 0.00 1.05 0.00 0.00 56 R 7.82 4.37 0.00 1.83 2.12 0.00 3.19 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 57 S 8.28 4.31 0.00 3.99 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 58 E 8.78 3.93 0.00 2.02 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 2.38 2.33 0.00 59 Q 7.96 3.95 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 60 E 8.01 4.48 0.00 2.24 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 2.22 0.00 61 T 8.05 3.93 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 62 S 7.92 4.30 0.00 4.02 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 63 Q 8.08 3.96 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 64 L 7.75 3.94 0.00 1.81 1.88 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.40 3.58 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 1.02 0.00 0.00 0.97 0.00 0.00 66 A 8.05 4.00 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 67 R 8.13 3.92 0.00 1.99 1.96 0.00 3.26 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 68 L 8.07 4.04 0.00 1.93 1.81 0.97 0.92 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 69 E 8.38 4.34 0.00 1.91 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 2.52 2.58 0.00 70 Q 7.25 4.25 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 71 L 7.32 3.87 0.00 1.21 0.71 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.51 5.00 0.00 3.00 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 73 P 0.00 4.66 0.00 2.21 2.12 0.00 3.94 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 2.18 2.04 0.00 74 V 7.47 4.52 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 0.76 0.00 0.00 1.05 0.00 0.00 75 S 8.26 4.62 0.00 3.79 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.29 4.25 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 77 L 9.06 4.59 0.00 1.60 1.60 0.93 0.47 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 78 V 8.18 4.85 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 0.83 0.00 0.00 0.96 0.00 0.00 79 A 8.92 4.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.44 4.76 0.00 3.97 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 81 S 8.49 4.27 0.00 3.83 3.71 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 82 G 7.78 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.20 3.88 0.00 1.59 1.66 0.00 1.41 0.00 0.00 1.52 0.00 0.00 2.56 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.79 0.36 7.81 84 Q 7.58 5.33 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 85 L 9.32 4.26 0.00 1.99 1.33 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.85 3.83 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 87 G 8.45 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.70 4.58 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.84 0.00 0.00 89 R 9.12 5.12 0.00 1.98 1.86 0.00 3.22 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 90 N 8.93 4.56 0.00 2.06 2.50 0.00 0.00 7.18 7.50 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 91 G 9.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.49 4.38 0.00 3.00 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 93 L 8.52 3.98 0.00 1.50 1.70 0.85 0.89 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 94 D 7.83 4.84 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.89 4.48 0.00 2.94 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 96 Q 7.02 3.69 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.04 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 97 R 8.03 4.04 0.00 2.19 2.29 0.00 3.13 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 98 L 7.14 3.39 0.00 0.63 1.24 0.38 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.61 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.67 4.20 0.00 1.73 1.80 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.02 4.31 0.00 2.82 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 0.00 102 R 7.93 3.90 0.00 2.06 2.14 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 103 W 8.16 4.44 0.00 3.23 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 0.00 104 L 8.14 3.62 0.00 1.64 1.57 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.78 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 0.00 106 L 7.98 3.79 0.00 1.87 1.90 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.43 3.19 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 0.78 0.00 0.00 -0.59 0.00 0.00 108 A 7.79 3.79 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.67 2.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.93 4.01 0.00 3.19 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.19 4.05 0.00 3.13 3.48 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.86 4.09 0.00 1.80 1.80 0.93 0.69 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 0.00 113 A 8.50 4.32 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.34 3.92 0.00 1.82 1.85 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 115 K 7.30 4.80 0.00 1.56 1.71 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.59 7.81 116 A 8.58 4.59 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 0.00 117 C 9.09 5.37 0.00 3.32 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 0.00 118 L 9.25 5.18 0.00 1.81 1.66 1.06 1.04 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 0.00 119 V 9.11 5.01 2.15 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 0.94 0.00 0.00 0.96 0.00 0.00 120 I 9.14 5.08 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 1.13 0.00 0.00 121 D 9.40 5.11 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.05 4.61 0.00 1.61 1.62 1.01 0.68 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 0.00 123 G 8.31 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.85 3.93 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 125 A 7.98 5.09 1.21 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 0.00 126 V 9.08 4.80 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 1.01 0.00 0.00 0.91 0.00 0.00 127 T 8.72 5.37 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 1.25 0.00 0.00 128 S 9.17 5.33 0.00 4.28 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 0.00 129 D 9.70 5.51 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.71 5.13 0.00 1.70 1.59 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.64 4.91 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 132 A 9.28 4.43 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 0.00 133 A 8.56 4.03 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 0.00 134 D 8.12 4.61 0.00 2.82 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 0.00 135 G 8.41 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.69 4.22 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 0.85 0.00 0.00 1.00 0.00 0.00 137 H 9.08 4.92 0.00 3.38 3.64 0.00 5.83 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.81 3.97 0.00 1.78 1.68 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 139 G 6.85 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 0.00 140 G 7.47 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 0.00 0.00 0.00 0.00 141 Y 9.20 5.28 0.00 3.20 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 0.00 142 I 8.42 5.31 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.93 0.00 0.00 143 C 8.76 4.76 0.00 2.74 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 0.00 144 P 0.00 4.29 0.00 2.06 2.06 0.00 3.64 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 1.91 1.93 0.00 145 G 8.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 T 9.10 4.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 148 L 7.11 4.02 0.00 1.60 1.68 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *150 R 7.89 4.33 0.00 2.07 1.97 0.00 3.15 0.00 0.00 3.39 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 151 S 8.02 4.22 0.00 4.01 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 0.00 152 Q 8.21 4.28 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 153 L 7.92 4.69 0.00 1.66 1.67 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.12 4.58 0.00 1.76 0.77 0.00 3.30 0.00 0.00 3.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 *164 D 9.05 4.75 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.77 4.17 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 0.00 166 E 8.11 4.02 0.00 2.02 1.95 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 2.37 2.31 0.00 167 A 8.04 4.09 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 0.00 168 R 7.81 4.01 0.00 1.95 1.87 0.00 3.27 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 169 R 7.54 4.29 0.00 2.11 2.00 0.00 3.10 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 170 A 7.62 4.09 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 0.00 171 L 7.78 4.35 0.00 1.85 1.69 0.92 0.81 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 0.00 172 A 7.75 4.00 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 0.00 173 S 7.47 4.65 0.00 3.90 3.68 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 0.00 174 L 8.31 4.61 0.00 1.65 1.64 0.92 0.94 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 0.00 175 Q 7.54 4.27 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 176 P 0.00 4.21 0.00 2.03 2.02 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 177 G 8.51 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Q 8.85 4.59 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 179 A 7.59 4.64 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 0.00 180 T 8.66 3.80 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 181 A 8.02 3.99 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 0.00 182 E 8.15 3.88 0.00 2.19 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 2.40 2.38 0.00 183 A 8.18 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.73 3.50 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 1.11 0.00 0.00 0.98 0.00 0.00 185 E 8.05 3.95 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 186 R 8.26 4.11 0.00 1.94 1.97 0.00 3.20 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 187 G 8.05 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 C 8.11 4.30 0.00 2.99 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 7.99 4.18 0.00 1.94 1.66 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.98 4.31 0.00 1.96 1.67 0.98 0.36 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 *192 L 7.91 4.29 0.00 1.85 1.90 0.95 0.97 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 0.00 193 R 8.07 4.55 0.00 1.86 2.12 0.00 3.20 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.68 0.00 194 G 8.36 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 0.00 0.00 0.00 195 F 8.29 4.10 0.00 3.06 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 0.00 196 V 7.94 3.49 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 0.97 0.00 0.00 1.08 0.00 0.00 197 R 7.94 3.99 0.00 2.08 1.98 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.02 0.00 198 E 7.80 3.93 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 199 Q 7.40 3.87 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.95 0.00 0.00 0.00 0.00 0.00 1.32 1.97 0.00 200 Y 8.11 4.29 0.00 2.93 3.09 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 0.00 201 A 7.94 4.02 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 *203 A 7.95 4.20 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 C 7.92 3.89 0.00 2.88 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 0.00 205 E 8.00 3.88 0.00 1.89 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 2.30 2.31 0.00 206 L 7.78 4.45 0.00 1.68 1.71 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 207 L 8.84 4.50 0.00 1.63 1.70 0.97 1.06 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 0.00 208 G 7.89 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 0.00 0.00 0.00 209 P 0.00 4.14 0.00 2.05 2.13 0.00 3.65 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 2.01 2.02 0.00 210 D 7.90 4.86 0.00 2.78 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 0.00 211 C 7.48 4.53 0.00 3.16 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 0.00 212 E 9.08 4.23 0.00 2.02 1.64 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 2.34 2.45 0.00 213 I 8.05 5.02 1.81 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 1.45 0.92 0.94 0.00 0.00 214 F 9.67 5.30 0.00 2.87 2.91 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 0.00 215 L 9.14 5.36 0.00 1.57 1.56 0.93 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 216 T 8.77 4.50 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 1.29 0.00 0.00 217 G 8.40 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 0.00 0.00 0.00 0.00 218 G 8.42 3.64 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 0.00 0.00 0.00 219 D 8.27 4.80 0.00 2.89 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 0.00 220 A 7.79 4.02 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 0.00 221 E 8.26 3.90 0.00 2.09 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 2.38 2.47 0.00 222 L 7.79 3.87 0.00 1.82 1.73 0.93 0.71 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 V 7.80 4.46 2.27 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 0.87 0.00 0.00 1.02 0.00 0.00 224 R 7.69 3.97 0.00 1.88 2.29 0.00 2.87 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 225 D 8.03 4.41 0.00 2.78 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 0.00 226 E 8.37 4.04 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 227 L 7.52 4.53 0.00 1.59 1.38 0.88 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 228 A 8.36 3.84 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 0.00 229 G 7.78 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 0.00 230 A 7.80 4.14 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 0.00 231 R 8.75 4.31 0.00 1.40 1.79 0.00 2.44 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.18 0.00 232 I 8.10 4.79 1.87 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 1.36 1.10 0.92 0.00 0.00 *234 P 0.00 4.44 0.00 2.08 2.16 0.00 3.67 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 1.93 2.12 0.00 235 D 7.78 4.97 0.00 2.81 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 0.00 236 L 8.27 3.89 0.00 1.68 1.61 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 237 V 7.66 3.50 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 0.39 0.00 0.00 0.75 0.00 0.00 238 F 7.73 4.49 0.00 3.29 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 0.00 239 V 7.94 3.71 2.22 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 0.98 0.00 0.00 1.01 0.00 0.00 240 G 7.86 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 L 8.31 3.99 0.00 1.91 2.00 0.98 1.32 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 0.00 242 A 7.66 4.02 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 0.00 243 L 7.27 4.01 0.00 1.73 1.61 0.62 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 244 A 8.02 4.30 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 0.00 245 C 8.10 4.77 0.00 3.01 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 0.00 246 P 0.00 4.52 0.00 2.17 2.04 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 247 I 7.83 4.37 1.86 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 0.86 0.90 0.00 0.00 248 E 8.35 4.11 0.00 2.13 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 2.22 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.