NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3173 8.3444 118.8298 55.8724 29.9701 174.0131 2 V 3.9942 8.1092 118.7556 62.2542 32.9566 173.7571 3 Q 4.6382 9.2012 124.8255 54.3821 33.2156 173.9004 4 L 4.9800 8.6375 123.3409 54.0572 44.0620 176.4083 5 V 4.5921 8.1786 120.1682 62.2144 35.1343 173.5814 6 Q 5.4245 8.5638 125.9533 53.3714 31.6861 175.2785 7 S 4.5396 8.6417 116.7467 57.9043 64.0407 174.6779 8 G 3.8594 8.5343 108.0891 45.8357 0.0000 173.4433 9 A 4.3943 8.4701 123.3456 51.7748 18.8722 176.9535 10 E 4.4793 8.7691 121.9745 55.8504 31.7498 175.6626 11 V 4.8317 8.2593 122.3463 61.1961 34.1148 174.7452 12 K 4.7430 9.5142 125.8583 54.7374 37.2477 175.1029 13 K 4.9334 8.0764 120.5673 53.5946 33.7979 174.4955 14 P 4.1954 0.0000 0.0000 64.3857 31.8301 175.0682 15 G 4.3537 8.9805 119.6511 45.4419 0.0000 173.9607 16 S 4.2830 7.7116 115.4265 57.5270 63.2040 174.0082 17 S 4.6335 8.7857 119.7939 58.5402 63.7977 173.5349 18 V 4.5037 8.3656 118.6429 59.6544 34.8431 174.3394 19 K 5.0257 8.5200 122.9785 54.6023 34.5648 175.4381 20 V 4.7046 8.5231 126.6556 59.8595 34.8091 174.7026 21 S 5.6193 8.8169 116.7546 57.0195 66.8088 170.2779 22 C 5.5581 9.3903 114.7713 54.3433 42.9853 172.8654 23 T 5.0608 8.7493 115.7643 61.9067 72.5270 172.7154 24 S 5.0087 8.4670 119.7990 56.5453 64.0649 174.2711 25 S 4.4296 8.6182 122.0009 61.2330 63.4270 175.0621 26 E 4.2220 8.1196 117.6470 55.6234 30.3599 176.8993 27 V 3.7661 8.4971 122.3240 66.2874 32.0118 177.5535 28 T 4.2328 7.7076 110.2716 61.2661 66.0378 172.8976 29 F 4.8182 8.0568 128.7224 59.2317 41.2788 176.1430 30 S 3.9309 7.8318 115.1567 59.4143 63.3346 175.5091 31 S 4.0857 7.3151 114.9508 59.0095 63.4782 173.2793 32 F 5.6001 7.2301 119.4560 55.2318 41.0613 175.2821 33 A 4.3160 9.0195 126.0946 52.1625 19.7573 176.1402 34 I 4.8622 8.7731 121.3015 59.6459 40.7777 175.0335 35 S 5.3778 9.2603 121.0671 56.5753 67.6672 172.7773 36 W 5.3616 8.9152 120.0289 55.1219 32.7456 175.2863 37 V 4.9530 9.3183 124.6084 61.7126 34.5290 174.0116 38 R 4.6899 8.9479 125.0190 54.8165 32.5021 175.5051 39 Q 4.6670 8.9328 121.0027 53.9516 31.1794 174.2481 40 A 4.3691 8.4312 129.0732 50.8228 19.2243 174.3732 41 P 4.1227 0.0000 0.0000 65.4947 30.5935 175.5972 42 G 4.3536 8.4698 120.6098 45.4437 0.0000 174.6449 43 Q 3.9905 7.9884 120.5679 56.0000 28.3100 178.6493 44 G 4.2757 8.2032 112.0314 45.1757 0.0000 172.4266 45 L 4.3527 8.0809 118.8680 54.2359 43.1215 176.6914 46 E 4.9202 8.1233 118.6892 55.3764 33.7057 173.5546 47 W 5.2147 9.3862 135.0000 56.3962 31.6641 175.7649 48 L 3.4128 8.9289 128.5178 56.2532 41.6027 176.9350 49 G 3.0224 6.2600 102.1041 46.8231 0.0000 171.4681 50 G 4.7023 7.9443 105.1745 45.8487 0.0000 172.5521 51 I 5.0447 8.9300 120.0200 59.0849 42.1759 174.0160 52 S 4.7083 8.5061 122.7918 56.5544 62.7748 172.8076 53 P 4.2532 0.0000 0.0000 65.9628 31.3635 177.3498 54 M 3.8785 7.3456 115.5420 58.1850 32.0580 176.8278 55 F 4.4802 8.2420 114.7786 57.0900 40.6849 177.1350 56 G 3.9758 9.2354 107.7587 45.5680 0.0000 172.9518 57 T 4.3510 7.8267 117.4706 62.5255 69.5071 172.5534 58 P 5.3298 0.0000 0.0000 61.4530 34.0063 174.2359 59 N 5.0186 8.7775 116.3993 51.5391 40.8407 173.0101 60 Y 5.0303 8.6204 117.1564 55.8878 41.7472 175.3270 61 A 4.6046 8.7609 124.2431 51.9443 19.6684 179.1801 62 Q 4.2756 8.8068 119.0458 58.3528 29.0419 178.8638 63 K 3.8105 8.1782 117.7499 58.7765 32.0999 176.7573 64 F 4.7814 8.1896 115.2428 56.8611 40.3203 176.2227 65 Q 3.9624 8.6840 125.8468 58.6635 28.7157 178.7778 66 G 4.0554 7.7222 102.5923 45.2151 0.0000 174.0419 67 R 3.9495 8.0192 120.3801 59.0502 30.4433 176.2908 68 V 4.3919 7.0443 109.5409 60.4577 33.5708 176.0838 69 T 4.7401 8.6375 119.5026 61.8734 72.0667 172.9084 70 I 5.2181 8.8161 120.6567 59.3574 39.9684 175.0292 71 T 4.9954 9.1616 114.4443 60.3795 72.6969 172.2381 72 A 5.1324 8.6669 122.8796 50.2772 22.3216 174.7140 73 D 4.9251 9.5483 121.0391 52.9756 42.9512 177.5773 74 Q 4.3326 8.9802 125.0818 58.9771 29.3980 177.7669 75 S 4.1941 8.1995 111.4224 61.4707 63.3088 174.8724 76 T 4.2252 7.9395 111.0655 60.4950 69.8444 174.8902 77 R 3.7848 7.7657 118.0435 53.8335 28.5205 174.3830 78 T 4.9579 7.9247 120.7372 62.9268 74.0777 172.9562 79 A 5.1960 8.9780 125.7636 50.4385 23.1700 174.5909 80 Y 5.4654 9.8434 117.2359 56.4383 42.6414 174.3123 81 M 4.5196 8.8362 122.5938 53.6953 35.1016 173.8130 82 D 4.9648 8.8291 126.8207 52.6035 42.6879 173.7592 83 L 4.7400 8.4575 128.2910 53.5929 41.8785 175.9048 84 R 4.3429 8.2064 123.9557 54.7866 31.5735 175.6292 85 S 3.7127 8.4476 111.5721 59.1534 60.6827 172.0420 86 L 4.2042 7.5824 118.6132 55.3071 42.4365 177.1978 87 R 4.4541 7.4358 113.8710 56.3929 32.8391 174.1099 88 S 4.2242 8.4798 111.1446 61.6422 62.5083 175.9731 89 E 4.1993 8.1839 118.0795 57.8271 29.3195 176.4425 90 D 4.7435 7.7120 116.2870 56.0999 41.7058 176.7736 91 T 4.2689 7.9064 116.0086 64.3118 69.0366 173.2582 92 A 4.4257 8.5935 127.1524 51.5841 23.7134 174.4262 93 V 4.6507 8.1575 111.5339 60.2459 33.9793 175.3393 94 Y 4.7478 8.6762 123.0624 56.5684 40.0989 174.2761 95 Y 5.2510 8.8575 123.0182 56.6382 40.5959 172.4128 96 C 4.4848 8.6964 117.6515 53.8858 39.9918 172.2799 97 A 4.8611 8.3975 123.2855 49.9723 22.2755 174.5989 98 R 4.6337 8.8439 122.6175 55.2780 31.8013 175.1957 99 S 4.7658 8.9216 121.7385 55.6679 63.4715 173.3966 100 P 3.9849 0.0000 0.0000 65.0997 31.6857 176.9172 101 S 4.3420 7.2974 112.0141 58.1531 62.7263 174.1773 102 Y 4.7697 8.5363 122.5098 57.7108 38.4983 175.1359 103 I 4.2866 6.6222 119.1132 59.2199 41.1825 175.4539 104 C 4.5555 8.2341 125.6299 54.9083 42.2442 173.7256 105 S 3.5597 7.5088 122.5626 54.6648 64.1685 174.3247 106 G 2.9096 6.1769 108.6508 43.9903 0.0000 174.3907 107 G 3.9489 8.0977 108.7622 48.8858 0.0000 175.3168 108 T 3.8221 7.6604 108.5576 63.7844 68.6759 175.5652 109 C 4.4435 8.2646 123.6211 55.3415 38.0740 172.6120 110 V 3.9644 7.2193 118.5714 59.1763 33.6776 175.1557 111 F 4.9040 8.3637 118.7485 55.9814 39.6606 174.8495 112 D 4.6826 8.4155 124.9587 54.5396 40.3056 176.8855 113 H 4.9092 7.8031 117.7917 54.4218 32.8994 172.1761 114 W 5.0831 8.9904 123.1462 54.5244 31.9979 175.8880 115 G 4.1482 9.1957 112.0584 46.1080 0.0000 173.4231 116 Q 4.4228 8.8431 116.5963 56.2203 29.4069 176.8562 117 G 3.7868 8.7831 106.6907 45.5484 0.0000 173.2285 118 T 4.5281 8.4327 118.3018 61.1413 71.3252 173.1782 119 L 4.5433 8.5629 129.9638 54.8462 43.3804 175.4345 120 V 4.7631 8.8182 126.9860 61.5332 33.9269 174.1277 121 T 4.6865 8.8028 125.0083 61.8079 70.9981 173.6046 122 V 4.2135 8.2033 126.7379 62.9337 32.6005 174.2225 123 S 4.0632 9.8001 124.1435 59.1155 62.8631 174.3727 124 S 4.4411 8.1866 114.7808 55.4791 63.6218 172.6066 *139 I 3.8801 7.4712 120.5025 60.4678 39.0873 174.3168 140 Q 4.5707 8.5059 127.3908 53.5396 30.8868 173.0660 141 P 4.5818 0.0000 0.0000 62.4754 32.0890 176.7195 142 G 3.8952 8.6978 108.9419 47.5937 0.0000 172.9269 143 L 5.0242 7.8755 119.2304 53.0869 46.4890 175.7465 144 T 4.6904 8.5499 115.8588 62.1981 70.8356 173.3954 145 Q 5.2825 8.6844 125.1487 51.7908 32.5869 173.9710 146 P 4.3634 0.0000 0.0000 62.6941 31.9664 174.4232 147 P 5.0200 0.0000 0.0000 63.6989 32.8913 175.5807 148 S 5.1414 7.7166 115.9366 57.9421 65.2715 172.5145 149 V 4.0555 8.1455 124.5925 61.8768 33.1816 174.6095 150 S 4.9303 8.5065 122.5805 55.9268 65.8565 173.1593 151 K 4.6429 8.5758 123.4548 54.2229 36.2407 175.8950 152 G 4.2480 8.3388 108.2525 44.7366 0.0000 173.3184 153 L 4.0549 7.9150 120.3811 56.6593 41.9879 178.4003 154 R 3.8813 8.3578 119.9355 56.6692 28.4987 176.1466 155 Q 4.4520 7.9768 118.4583 55.3226 31.4820 174.3162 156 T 4.8779 8.2183 115.9705 62.0081 70.9633 173.7753 157 A 4.9396 8.3197 127.7648 50.2879 21.8803 175.5828 158 T 4.7763 8.2280 110.5801 59.8837 71.2354 173.1084 159 L 4.8103 8.4674 126.9369 52.9883 44.4238 175.5744 160 T 5.3855 8.5379 112.2484 60.1514 71.9447 172.8764 161 C 5.0793 9.6013 125.8673 55.2941 41.0902 172.4757 162 T 5.1208 8.5510 121.9238 62.1184 71.9783 173.0085 163 G 4.1392 8.6166 111.9346 46.3057 0.0000 170.4434 164 N 4.9717 9.2098 119.3413 52.1594 40.0454 174.9625 165 S 3.9560 8.6907 111.5989 61.8489 63.0743 175.6992 166 N 4.5570 8.4270 117.8025 55.9005 40.1664 175.8868 167 N 5.2827 8.5925 113.7990 52.8994 36.5866 176.9290 168 V 3.5819 9.1288 119.1046 65.5164 32.4592 176.8081 169 G 3.8642 8.7201 107.5202 46.8824 0.0000 173.5334 170 N 4.7978 7.9535 115.5042 55.0289 40.4796 176.3290 171 Q 4.0515 8.0812 115.3582 59.2877 29.6937 175.2784 172 G 3.9320 8.5119 102.0314 43.9614 0.0000 172.1681 173 A 4.8952 8.4547 119.4668 50.7992 23.2694 175.3784 174 A 5.0048 8.6336 121.3777 50.1613 21.8750 176.3484 175 W 5.3357 8.8332 121.0724 55.5301 32.1175 175.3758 176 L 5.3184 9.4311 120.7701 53.3431 46.1373 175.1141 177 Q 4.4289 8.8280 122.4924 54.3671 32.3963 174.6750 178 Q 4.3671 8.2621 126.8531 55.1243 31.5750 173.3983 179 H 4.7386 8.6151 124.0996 54.8286 30.4849 175.1025 180 Q 3.9228 8.5870 122.2420 58.1593 29.3436 175.6617 181 G 4.3415 8.9352 120.6066 46.2906 0.0000 173.7376 182 H 4.5007 6.8673 116.7928 54.0957 29.3758 173.8227 183 P 4.0587 0.0000 0.0000 60.9689 32.3722 174.1013 184 P 4.1229 0.0000 0.0000 62.5302 31.8842 175.3033 185 K 4.5249 8.5384 123.6515 54.4479 34.9327 174.6050 186 L 4.7747 8.5549 128.6397 54.9527 42.4184 176.0819 187 L 4.7365 8.5220 124.5805 54.8953 43.6879 176.6781 188 S 4.8232 7.7317 111.5173 57.3939 65.8686 174.2929 189 Y 4.5027 9.0365 121.5192 57.1015 38.6280 176.7552 190 R 4.3230 8.9401 116.3156 57.7275 29.6430 176.9885 191 N 4.9009 8.1345 115.1829 52.7042 37.4908 174.1217 192 N 4.5055 8.4022 113.5701 55.0608 36.3875 173.8273 193 D 5.0201 8.1546 117.1571 52.7458 42.8799 175.7570 194 R 4.7717 8.2667 118.6046 53.8159 30.3469 174.4825 195 P 4.6439 0.0000 0.0000 62.1981 32.1086 177.0047 196 S 3.9492 8.9049 113.8355 62.0302 62.2529 175.9488 197 G 3.6702 8.1434 107.3657 48.4407 0.0000 174.1306 198 I 3.4114 6.8070 120.3518 61.2385 37.5293 176.1729 199 S 4.3903 8.2138 119.3185 58.4389 63.6394 173.4315 200 E 4.5762 8.5503 120.6785 57.1045 29.8218 176.8009 201 R 4.7186 7.9737 112.1839 56.0229 30.3540 174.8819 202 F 5.0326 8.2726 116.2924 56.4410 39.1261 173.5927 203 S 4.2664 8.5349 115.7533 58.2605 63.4147 173.4213 204 A 4.6554 8.6183 129.0372 51.9898 20.2194 175.4545 205 S 4.5915 8.3376 112.1886 58.4152 66.8737 173.7024 206 R 4.8385 8.2330 120.2188 55.3184 32.6305 174.1479 207 S 4.4411 9.0817 119.6786 57.0159 64.9795 175.9575 208 G 3.9531 8.7982 122.0021 47.0320 0.0000 173.0374 209 N 4.9410 9.1894 120.7428 52.7718 39.4590 173.3046 210 T 5.2533 7.9115 113.0753 60.3249 71.1072 172.4842 211 A 5.2792 9.2508 129.1778 50.3328 23.1996 175.2027 212 S 5.6678 8.7352 115.4314 55.5479 66.8641 173.2274 213 L 3.9497 7.7140 127.9774 54.7367 42.9369 175.3139 214 T 4.6889 9.1748 124.8443 61.9301 70.9432 173.4421 215 I 4.1268 8.5149 128.4828 59.5554 39.4183 174.8061 216 T 4.6754 7.3822 116.8545 59.5855 70.3358 173.7205 217 G 3.5087 8.5711 114.8574 45.5516 0.0000 172.6407 218 L 4.3554 7.8585 121.1876 55.4030 43.0460 176.6941 219 Q 4.7970 8.6798 116.1155 54.8136 31.7389 173.3187 220 P 4.2134 0.0000 0.0000 66.0551 31.6005 178.4365 221 E 3.9940 8.4893 115.8772 59.8553 29.3801 178.5598 222 D 4.6669 8.7013 117.2593 56.5626 41.2342 176.8327 223 E 4.4202 8.2312 118.0953 55.3932 28.5720 175.1747 224 A 4.8565 7.9758 129.0859 51.4396 23.1173 173.8053 225 D 5.1710 8.3529 113.9627 54.1685 43.2368 175.7334 226 Y 5.8673 8.5692 118.5344 55.5540 41.3912 173.8869 227 Y 5.0391 9.3345 121.7194 55.4961 41.1188 174.4944 228 C 4.2416 8.5532 118.6750 54.7632 41.2089 172.2172 229 S 5.0136 8.1143 111.8164 58.3362 66.4737 173.7966 230 T 4.5191 8.2899 114.7966 61.7799 71.6359 170.6265 231 W 4.8201 8.5270 131.3400 55.9255 32.9630 174.8742 232 D 4.8139 7.8991 128.1014 52.8198 41.1016 177.2970 233 S 4.4565 8.7152 122.0560 60.8121 63.6668 175.8492 234 S 4.2703 8.2371 115.2650 61.1091 62.3073 174.9707 235 L 4.0242 8.1303 117.3543 55.1214 41.7802 176.5475 236 S 3.6028 7.4310 111.8691 58.4273 61.0127 169.9695 237 A 3.4025 5.8000 119.3756 51.2634 22.4556 176.5427 238 V 3.8554 6.8507 118.7043 62.0587 32.9119 175.4403 239 V 4.4411 7.9596 124.7272 61.2656 34.8555 173.8911 240 F 5.3558 8.7384 124.7553 55.4847 43.1717 175.0754 241 G 3.8267 8.6499 109.7525 45.8219 0.0000 173.8364 242 G 3.7724 9.0204 108.8332 45.9137 0.0000 174.3071 243 G 3.7658 6.7979 108.8021 45.6537 0.0000 170.8198 244 T 4.7239 7.3600 115.8975 61.9759 72.4198 173.7511 245 K 4.6184 8.9888 128.1096 55.9507 33.1282 176.2777 246 L 4.6281 8.7980 128.6245 54.6288 43.2642 175.9951 247 T 5.3292 8.5166 122.2657 60.9170 71.3466 173.2515 248 V 5.0030 8.8031 126.8637 61.3925 33.2753 175.6826 249 L 4.1914 8.1340 125.6439 56.6067 39.8459 174.1303 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 Q 8.34 4.32 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 2 V 8.11 3.99 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 0.88 0.00 0.00 1.09 0.00 0.00 3 Q 9.20 4.64 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 4 L 8.64 4.98 0.00 1.54 1.59 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.18 4.59 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 0.92 0.00 0.00 0.96 0.00 0.00 6 Q 8.56 5.42 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.73 0.00 0.00 0.00 0.00 0.00 2.57 2.27 0.00 7 S 8.64 4.54 0.00 3.81 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 8 G 8.53 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 9 A 8.47 4.39 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 10 E 8.77 4.48 0.00 1.89 1.83 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 2.33 2.34 0.00 11 V 8.26 4.83 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 0.82 0.00 0.00 0.93 0.00 0.00 12 K 9.51 4.74 0.00 1.58 1.58 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.49 7.81 13 K 8.08 4.93 0.00 1.74 1.71 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.23 7.81 14 P 0.00 4.20 0.00 2.03 2.03 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 15 G 8.98 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.71 4.28 0.00 3.87 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 17 S 8.79 4.63 0.00 3.82 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 18 V 8.37 4.50 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 0.50 0.00 0.00 0.82 0.00 0.00 19 K 8.52 5.03 0.00 1.61 1.59 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.62 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.20 1.32 7.81 20 V 8.52 4.70 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 0.30 0.00 0.00 0.95 0.00 0.00 21 S 8.82 5.62 0.00 3.98 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.39 5.56 0.00 3.08 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.75 5.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 24 S 8.47 5.01 0.00 3.92 3.58 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 25 S 8.62 4.43 0.00 3.93 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 26 E 8.12 4.22 0.00 2.21 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 2.43 2.53 0.00 27 V 8.50 3.77 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 0.85 0.00 0.00 0.94 0.00 0.00 28 T 7.71 4.23 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 1.19 0.00 0.00 29 F 8.06 4.82 0.00 3.10 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 30 S 7.83 3.93 0.00 3.77 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 31 S 7.32 4.09 0.00 3.39 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.23 5.60 0.00 2.87 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.02 4.32 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 34 I 8.77 4.86 1.85 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 1.24 0.46 0.71 0.00 0.00 35 S 9.26 5.38 0.00 4.08 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 0.00 36 W 8.92 5.36 0.00 3.23 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 37 V 9.32 4.95 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 1.07 0.00 0.00 1.06 0.00 0.00 38 R 8.95 4.69 0.00 0.67 1.34 0.00 2.37 0.00 0.00 2.94 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 39 Q 8.93 4.67 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 40 A 8.43 4.37 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 41 P 0.00 4.12 0.00 2.05 2.09 0.00 3.67 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 2.04 2.13 0.00 42 G 8.47 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.99 3.99 0.00 2.01 1.98 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 2.42 2.38 0.00 44 G 8.20 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 0.00 0.00 0.00 0.00 45 L 8.08 4.35 0.00 0.27 0.46 -0.10 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.12 4.92 0.00 2.20 1.81 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 2.43 2.50 0.00 47 W 9.39 5.21 0.00 3.65 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.93 3.41 0.00 1.58 1.22 1.00 -0.41 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 49 G 6.26 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.94 4.70 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 51 I 8.93 5.04 1.96 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 1.19 1.64 1.04 0.00 0.00 52 S 8.51 4.71 0.00 4.11 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.25 0.00 1.60 1.54 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 54 M 7.35 3.88 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.00 0.00 55 F 8.24 4.48 0.00 3.17 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 56 G 9.24 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.83 4.35 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 1.23 0.00 0.00 58 P 0.00 5.33 0.00 1.43 1.94 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 59 N 8.78 5.02 0.00 3.05 2.98 0.00 0.00 7.18 6.91 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 60 Y 8.62 5.03 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.76 4.60 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 62 Q 8.81 4.28 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 63 K 8.18 3.81 0.00 1.57 1.55 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 1.11 7.81 64 F 8.19 4.78 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.68 3.96 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 66 G 7.72 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.02 3.95 0.00 1.84 1.97 0.00 3.37 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 68 V 7.04 4.39 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 0.72 0.00 0.00 0.83 0.00 0.00 69 T 8.64 4.74 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 1.28 0.00 0.00 70 I 8.82 5.22 2.01 0.00 0.00 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 1.52 0.65 1.11 0.00 0.00 71 T 9.16 5.00 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 1.33 0.00 0.00 72 A 8.67 5.13 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 73 D 9.55 4.93 0.00 2.95 2.60 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 74 Q 8.98 4.33 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 75 S 8.20 4.19 0.00 3.99 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 76 T 7.94 4.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 77 R 7.77 3.78 0.00 1.10 1.62 0.00 2.82 0.00 0.00 3.46 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 78 T 7.92 4.96 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 0.96 0.00 0.00 79 A 8.98 5.20 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 80 Y 9.84 5.47 0.00 2.90 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 81 M 8.84 4.52 0.00 0.75 0.57 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 82 D 8.83 4.96 0.00 2.68 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 83 L 8.46 4.74 0.00 1.50 1.38 0.91 0.87 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 84 R 8.21 4.34 0.00 1.91 1.81 0.00 3.33 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 85 S 8.45 3.71 0.00 3.95 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 86 L 7.58 4.20 0.00 1.93 1.57 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.44 4.45 0.00 1.99 1.89 0.00 3.05 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 88 S 8.48 4.22 0.00 3.89 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 89 E 8.18 4.20 0.00 1.98 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 2.32 2.35 0.00 90 D 7.71 4.74 0.00 3.00 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 91 T 7.91 4.27 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 92 A 8.59 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.16 4.65 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 0.66 0.00 0.00 0.93 0.00 0.00 94 Y 8.68 4.75 0.00 2.90 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 95 Y 8.86 5.25 0.00 3.29 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 96 C 8.70 4.48 0.00 1.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.40 4.86 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.84 4.63 0.00 1.79 1.69 0.00 3.09 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.64 0.00 99 S 8.92 4.77 0.00 3.55 3.51 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 0.00 100 P 0.00 3.98 0.00 2.17 2.25 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 101 S 7.30 4.34 0.00 4.00 3.72 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 0.00 102 Y 8.54 4.77 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 6.62 4.29 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.53 0.27 0.00 0.00 104 C 8.23 4.56 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 0.00 105 S 7.51 3.56 0.00 3.40 3.39 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 0.00 106 G 6.18 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 0.00 0.00 0.00 107 G 8.10 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 0.00 0.00 0.00 108 T 7.66 3.82 4.11 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 1.13 0.00 0.00 109 C 8.26 4.44 0.00 2.56 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.22 3.96 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 0.79 0.00 0.00 1.01 0.00 0.00 111 F 8.36 4.90 0.00 3.13 2.36 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 0.00 112 D 8.42 4.68 0.00 2.84 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 0.00 113 H 7.80 4.91 0.00 3.00 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 W 8.99 5.08 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 9.20 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.84 4.42 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 117 G 8.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.43 4.53 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 119 L 8.56 4.54 0.00 1.74 1.56 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.82 4.76 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 0.86 0.00 0.00 0.79 0.00 0.00 121 T 8.80 4.69 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 1.22 0.00 0.00 122 V 8.20 4.21 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 0.81 0.00 0.00 0.99 0.00 0.00 123 S 9.80 4.06 0.00 3.89 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 0.00 124 S 8.19 4.44 0.00 3.83 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 *139 I 7.47 3.88 1.91 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 1.36 0.83 0.99 0.00 0.00 140 Q 8.51 4.57 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 141 P 0.00 4.58 0.00 2.27 2.09 0.00 3.75 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 2.05 2.13 0.00 142 G 8.70 3.90 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 0.00 0.00 0.00 143 L 7.88 5.02 0.00 1.64 1.51 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.55 4.69 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 145 Q 8.68 5.28 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 146 P 0.00 4.36 0.00 2.18 2.07 0.00 3.97 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 147 P 0.00 5.02 0.00 2.20 2.32 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 148 S 7.72 5.14 0.00 3.72 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 0.00 149 V 8.15 4.06 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 0.91 0.00 0.00 0.90 0.00 0.00 150 S 8.51 4.93 0.00 3.71 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 0.00 151 K 8.58 4.64 0.00 1.56 1.61 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.26 7.81 152 G 8.34 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 0.00 0.00 0.00 0.00 153 L 7.92 4.05 0.00 1.66 1.65 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.36 3.88 0.00 1.97 2.06 0.00 3.14 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 155 Q 7.98 4.45 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 156 T 8.22 4.88 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 157 A 8.32 4.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.23 4.78 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 159 L 8.47 4.81 0.00 1.09 1.59 0.53 -0.05 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 0.00 160 T 8.54 5.39 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 1.25 0.00 0.00 161 C 9.60 5.08 0.00 2.62 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 0.00 162 T 8.55 5.12 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 163 G 8.62 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 0.00 164 N 9.21 4.97 0.00 2.89 2.92 0.00 0.00 7.04 8.12 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 0.00 165 S 8.69 3.96 0.00 3.86 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 8.43 4.56 0.00 2.87 2.94 0.00 0.00 6.66 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 N 8.59 5.28 0.00 2.89 2.68 0.00 0.00 6.35 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 0.00 168 V 9.13 3.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 169 G 8.72 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 0.00 170 N 7.95 4.80 0.00 2.74 2.86 0.00 0.00 7.00 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 0.00 171 Q 8.08 4.05 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 172 G 8.51 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 0.00 173 A 8.45 4.90 1.10 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 0.00 0.00 174 A 8.63 5.00 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 0.00 175 W 8.83 5.34 0.00 3.40 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 9.43 5.32 0.00 1.65 1.39 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 177 Q 8.83 4.43 0.00 1.90 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 178 Q 8.26 4.37 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 179 H 8.62 4.74 0.00 3.19 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.59 3.92 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 181 G 8.94 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 0.00 0.00 0.00 0.00 182 H 6.87 4.50 0.00 3.21 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 P 0.00 4.06 0.00 1.75 1.83 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.04 0.00 184 P 0.00 4.12 0.00 0.61 1.25 0.00 2.20 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.88 0.00 185 K 8.54 4.52 0.00 1.67 1.52 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.27 7.81 186 L 8.55 4.77 0.00 2.02 1.55 1.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.52 4.74 0.00 1.71 1.63 1.13 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 188 S 7.73 4.82 0.00 3.96 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 0.00 189 Y 9.04 4.50 0.00 3.05 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 0.00 190 R 8.94 4.32 0.00 1.95 2.11 0.00 2.64 0.00 0.00 2.57 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 191 N 8.13 4.90 0.00 2.86 2.93 0.00 0.00 6.17 8.04 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 0.00 192 N 8.40 4.51 0.00 3.01 3.11 0.00 0.00 6.79 7.46 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 0.00 193 D 8.15 5.02 0.00 2.98 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 R 8.27 4.77 0.00 1.91 1.96 0.00 3.21 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 195 P 0.00 4.64 0.00 2.12 1.98 0.00 3.50 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 2.02 1.27 0.00 196 S 8.90 3.95 0.00 3.86 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 0.00 197 G 8.14 3.67 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 0.00 0.00 0.00 198 I 6.81 3.41 1.91 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.63 0.00 0.00 199 S 8.21 4.39 0.00 4.06 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 0.00 200 E 8.55 4.58 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 201 R 7.97 4.72 0.00 1.58 2.07 0.00 2.85 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 202 F 8.27 5.03 0.00 2.81 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.53 4.27 0.00 3.86 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 0.00 204 A 8.62 4.66 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 0.00 205 S 8.34 4.59 0.00 4.02 3.72 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 0.00 206 R 8.23 4.84 0.00 1.85 1.79 0.00 3.28 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 207 S 9.08 4.44 0.00 3.81 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 0.00 208 G 8.80 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 0.00 0.00 0.00 209 N 9.19 4.94 0.00 2.83 2.99 0.00 0.00 6.19 7.05 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 0.00 210 T 7.91 5.25 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 1.32 0.00 0.00 211 A 9.25 5.28 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 0.00 212 S 8.74 5.67 0.00 3.76 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 0.00 213 L 7.71 3.95 0.00 0.27 0.13 0.67 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 214 T 9.17 4.69 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 1.10 0.00 0.00 215 I 8.51 4.13 1.50 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.74 0.36 0.00 0.00 216 T 7.38 4.68 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 217 G 8.57 3.51 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 0.00 218 L 7.86 4.36 0.00 1.66 1.56 0.84 0.92 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 0.00 219 Q 8.68 4.80 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 220 P 0.00 4.21 0.00 2.21 2.19 0.00 3.65 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 2.13 2.16 0.00 221 E 8.49 3.99 0.00 2.00 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 2.36 2.46 0.00 222 D 8.70 4.67 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 E 8.23 4.42 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 224 A 7.98 4.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 D 8.35 5.17 0.00 2.83 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 0.00 226 Y 8.57 5.87 0.00 3.08 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 Y 9.33 5.04 0.00 2.86 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 0.00 228 C 8.55 4.24 0.00 2.20 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 S 8.11 5.01 0.00 3.77 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 0.00 230 T 8.29 4.52 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 1.17 0.00 0.00 231 W 8.53 4.82 0.00 3.35 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 0.00 232 D 7.90 4.81 0.00 2.56 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 0.00 0.00 0.00 0.00 233 S 8.72 4.46 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 S 8.24 4.27 0.00 3.85 4.02 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 0.00 0.00 0.00 235 L 8.13 4.02 0.00 1.50 1.61 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 236 S 7.43 3.60 0.00 4.07 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 A 5.80 3.40 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 0.00 238 V 6.85 3.86 0.67 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 0.35 0.00 0.00 0.49 0.00 0.00 239 V 7.96 4.44 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 0.88 0.00 0.00 0.82 0.00 0.00 240 F 8.74 5.36 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 G 8.65 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 0.00 0.00 0.00 242 G 9.02 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 0.00 243 G 6.80 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 0.00 244 T 7.36 4.72 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 1.30 0.00 0.00 245 K 8.99 4.62 0.00 1.87 1.76 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.54 7.81 246 L 8.80 4.63 0.00 1.55 1.66 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 247 T 8.52 5.33 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 0.00 248 V 8.80 5.00 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 0.80 0.00 0.00 0.92 0.00 0.00 249 L 8.13 4.19 0.00 1.69 1.66 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.