NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 E 4.3169 8.3027 121.7339 56.2284 32.2107 175.3618 24 V 3.8399 7.4843 118.5662 62.4104 32.0694 173.7400 25 Q 4.5595 9.8715 127.1475 54.4601 34.1375 173.2327 26 L 4.8651 8.7492 123.3981 53.2403 44.3182 175.1225 27 Q 4.7862 8.7380 127.1242 54.7330 30.4100 174.6324 28 Q 5.1992 9.6353 126.7452 54.4310 31.0689 175.8531 29 S 4.6636 8.6452 117.1076 58.1767 64.0708 173.7550 30 G 4.0679 8.5291 108.4414 45.2370 0.0000 171.3196 31 P 4.8806 0.0000 0.0000 62.7344 32.4946 175.6866 32 E 4.7674 9.8428 121.7025 54.4677 33.1125 174.5455 33 L 5.1734 8.6225 125.5108 53.4860 44.2430 175.6708 34 V 4.6566 8.9125 119.0093 59.4607 36.6999 174.9688 35 K 4.7044 8.3847 121.3429 54.5024 33.4458 174.9013 36 P 4.3713 0.0000 0.0000 64.1769 31.8122 177.2791 37 G 3.7918 9.7006 110.0588 45.8335 0.0000 173.7772 38 A 4.4731 7.5390 121.8177 51.5513 20.9574 176.2329 39 S 4.9251 8.3680 112.4062 57.3132 67.3647 174.3396 40 V 4.7342 8.2866 116.2344 59.5042 35.6271 175.0951 41 K 5.2847 8.5209 122.8478 54.9842 34.1736 175.2997 42 M 4.7280 8.5082 125.6464 54.3640 34.0423 174.8327 43 S 5.4464 8.8775 113.9479 57.1921 67.3564 172.4371 44 C 4.8949 8.6640 119.8080 56.0331 43.7666 172.2638 45 K 4.8181 9.2429 129.7864 54.7262 33.2797 175.3974 46 A 5.0250 8.6185 130.3820 51.8390 19.9532 176.3333 47 S 4.2299 8.6869 112.8580 58.1267 66.7177 175.3349 48 G 4.0862 10.3319 108.5411 46.3875 0.0000 172.7357 49 Y 4.6755 7.0759 113.8809 55.6051 40.0982 174.5484 50 T 4.0319 8.8181 112.4554 62.0476 67.7356 174.5473 51 F 3.6929 8.4516 131.1465 61.6486 39.6988 176.7162 52 T 4.1670 7.9034 107.5695 62.8114 69.2274 175.5391 53 S 4.2269 8.7550 118.4929 60.3220 63.2374 173.8282 54 Y 4.7172 7.8148 116.4616 55.8666 41.4993 175.3933 55 V 4.1448 8.1320 116.3371 61.3503 33.8539 174.3733 56 M 5.0464 8.9298 121.0269 54.4048 34.9960 174.5481 57 H 5.6290 9.5736 123.7465 54.3836 32.2678 173.9278 58 W 5.4716 8.9901 118.6853 55.2362 32.9483 174.6916 59 V 4.9622 9.2123 125.0353 60.9707 34.2491 173.9053 60 K 4.7900 9.3842 128.6726 54.7172 34.7874 174.6862 61 Q 4.9418 8.8169 127.8376 52.8249 31.9944 174.0151 62 K 3.8296 9.1064 127.1553 59.1025 32.8744 178.1401 63 P 3.3114 0.0000 0.0000 62.4641 32.8584 176.6175 64 G 3.6648 8.7962 115.1245 48.8183 0.0000 174.2047 65 Q 4.2825 7.9015 118.4688 55.2189 29.5693 174.9707 66 G 4.0043 8.2425 106.7838 45.2642 0.0000 172.3212 67 L 4.7546 8.2821 118.8982 53.7459 43.2163 175.6701 68 E 4.8513 8.9214 122.5925 54.1844 33.0102 174.1933 69 W 4.7363 9.1559 135.0000 57.6919 31.3554 175.1785 70 I 3.2672 8.9058 127.7687 61.1441 38.7781 176.1155 71 G 2.8222 5.7167 105.5254 46.1448 0.0000 170.0622 72 Y 5.5312 7.4258 117.0720 55.7587 42.2917 173.7549 73 I 4.8551 9.0243 119.6559 59.3504 41.6492 173.7701 74 N 5.0655 9.6125 128.8938 51.5465 38.7285 173.2729 75 P 4.2859 0.0000 0.0000 64.9623 31.7206 177.1477 76 Y 4.3164 8.3987 117.2461 60.2630 38.3333 176.6270 77 N 4.8015 7.9953 113.2463 51.5236 38.1138 173.8136 78 D 4.4237 8.7160 116.3638 55.5175 39.4158 173.9419 79 G 4.2008 7.7001 104.3912 46.2946 0.0000 173.6037 80 T 4.8978 8.1252 109.9658 59.7330 72.0012 172.7872 81 K 4.5056 7.4346 123.9711 54.7813 35.2453 174.3579 82 Y 4.7281 8.3992 122.9662 55.8009 41.8376 174.6135 83 N 4.6611 9.1264 121.7580 53.9264 39.7210 175.6150 84 E 3.8558 9.1538 128.0181 59.3251 30.2373 178.8041 85 K 3.7178 8.2260 118.4470 59.0760 32.3864 176.9714 86 F 4.4253 8.9745 115.9789 56.7665 39.0905 175.1718 87 K 4.0146 7.9844 122.3332 57.6928 31.8303 177.4355 88 G 3.9118 8.9124 112.4650 44.7914 0.0000 172.3431 89 K 4.3888 7.7909 117.5137 57.4038 34.4326 175.0297 90 A 4.8339 8.1367 121.4412 51.1014 20.9701 176.6971 91 T 4.4936 8.1319 116.4126 61.8752 71.7857 173.7284 92 L 4.6392 10.1191 127.6322 54.8623 42.9454 176.4017 93 T 4.4496 8.0360 113.5399 61.9829 71.3397 171.6551 94 S 5.2017 8.2674 119.1806 57.2236 67.7671 172.5238 95 D 4.6930 9.1712 119.1714 52.4517 42.3897 175.3327 96 K 4.0823 9.0813 125.4790 59.3658 32.5311 179.3827 97 S 4.1019 8.2662 111.8753 60.7732 62.6451 175.1224 98 S 4.4339 8.0091 112.1554 56.7132 63.5091 174.0286 99 S 2.0000 7.2083 116.0783 59.7720 60.7592 171.9990 100 T 4.8685 6.3696 114.2621 61.5921 72.7556 174.4198 101 A 5.2922 8.8666 127.3656 50.5755 21.9025 175.1812 102 Y 5.2516 9.4553 117.9509 56.4659 42.5200 174.3981 103 M 4.5659 8.5703 120.7425 53.5443 35.6894 173.6024 104 E 4.8957 8.4990 125.3725 54.3905 32.7203 174.2875 105 L 4.7894 8.4505 127.9969 53.8152 43.3431 176.1220 106 S 4.9599 8.0629 116.9752 55.6399 65.7234 173.7546 107 S 3.7928 8.3746 113.4920 57.5387 60.4665 172.9465 108 L 4.0502 8.3231 120.7031 55.9524 42.3323 177.7998 109 T 4.6124 8.4280 118.2251 59.8415 70.0530 174.8596 110 S 4.1102 8.3618 115.8470 61.3407 63.1816 175.7026 111 E 4.2240 8.1429 116.7264 57.4924 28.9339 176.7055 112 D 4.8309 7.5803 118.3302 54.2978 41.5826 176.5412 113 S 5.1365 8.4093 116.6435 58.5008 63.3617 173.4171 114 A 4.2519 8.1865 125.4137 51.8232 22.8147 173.9588 115 V 4.5466 8.0357 118.1542 61.6994 33.7580 174.5277 116 Y 5.2152 8.8695 125.2284 56.5214 40.6267 174.3681 117 Y 6.0989 9.7056 122.0216 55.6341 41.6956 172.2043 118 C 4.5796 8.7285 115.5610 53.3933 43.0517 172.5288 119 A 4.7606 8.0388 122.0572 50.1620 22.7407 174.9236 120 R 4.4566 8.6847 122.4918 55.6394 31.3234 175.6640 121 G 4.3596 8.5521 114.0164 45.3956 0.0000 172.8067 122 A 4.8997 8.7000 124.8298 50.1150 21.8715 176.3532 123 Y 3.2605 8.9119 124.3910 60.3914 39.0371 178.0218 124 K 3.9709 8.1186 115.8240 58.5094 32.8165 176.5132 125 R 4.4020 7.0763 120.4380 56.0615 30.6190 175.0955 126 G 3.6260 8.2633 101.5631 46.3343 0.0000 175.2361 127 Y 3.5980 7.5112 114.4008 57.8058 36.8207 170.0061 128 A 4.0785 7.5086 123.3790 52.2921 19.0651 176.8611 129 M 4.6625 8.1662 119.2816 53.8646 30.5370 176.2563 130 D 4.0572 7.6902 122.7013 57.0511 41.8805 176.5058 131 Y 5.0154 7.6784 115.0753 56.1849 42.0619 174.3160 132 W 5.0955 9.0558 121.1421 54.7810 32.6236 175.6146 133 G 4.3673 9.1430 110.7970 45.4313 0.0000 174.0229 134 Q 4.3339 8.8319 117.2684 57.1868 29.1650 177.3982 135 G 3.7452 8.7332 105.1485 45.7272 0.0000 172.5015 136 T 4.6775 8.7540 118.2262 61.4533 71.7315 173.0839 137 S 4.7671 8.6946 121.1567 57.3663 64.3183 172.5715 138 V 4.9659 8.7828 127.1756 61.5466 34.1609 174.1413 139 T 4.7924 9.2178 125.5991 61.8930 71.1573 173.6573 140 V 5.0891 8.7541 128.4719 60.9278 31.7870 174.7111 141 S 4.6357 8.1750 121.4946 55.6766 66.1373 174.7347 142 S 4.8560 8.7729 115.1515 57.7315 61.5945 171.9328 *159 D 4.4710 8.2804 116.2011 53.9145 41.6348 174.1843 160 L 4.4180 8.2769 118.6487 54.3658 43.4318 176.7960 161 V 4.4110 9.2716 124.6106 61.3631 34.1938 174.0246 162 M 5.0824 8.8112 127.6807 53.9009 33.9348 174.5724 163 S 5.1260 9.1217 119.9801 56.4187 65.9345 173.3298 164 Q 5.0955 8.4411 119.9360 54.8814 31.7215 173.8858 165 S 4.9986 8.5552 115.9604 55.5626 67.2155 171.6350 166 P 4.6908 0.0000 0.0000 62.3871 31.9379 176.3808 167 S 4.3876 8.7922 114.2267 61.2063 63.2372 173.7755 168 S 5.2236 7.7934 111.3572 58.1818 64.9240 176.3090 169 L 4.6017 8.3193 119.4771 54.8371 43.8131 173.5095 170 A 5.2006 8.5670 123.0470 50.4929 21.1763 176.2986 171 V 4.4751 8.4391 120.7713 60.9261 35.6941 174.7682 172 S 4.7735 8.7111 122.6170 58.0577 64.0281 173.2636 173 A 3.8907 8.6059 126.1530 54.2362 17.7956 176.1755 174 G 4.5266 9.5609 110.2585 44.9575 0.0000 173.8185 175 E 4.0373 8.1804 118.5347 56.2850 30.8521 176.2884 176 K 5.1513 8.3127 122.1612 54.9434 33.6307 175.7889 177 V 4.4613 8.4470 126.2537 61.4603 34.6287 174.4865 178 T 4.9526 8.2124 121.6214 62.2586 72.0476 173.0478 179 M 4.8278 8.9176 125.9549 53.5397 35.3111 174.9866 180 S 5.4088 9.1350 116.6974 57.3312 66.0525 172.0130 181 C 5.3332 8.9159 122.4367 55.6640 46.7472 172.8158 182 K 5.5152 9.8781 125.5014 54.8380 34.9200 175.2863 183 S 5.3817 8.9742 119.1939 56.4879 65.0580 175.4046 184 S 4.5041 8.9541 117.4496 60.8394 63.2348 174.5482 185 Q 4.6416 7.4526 117.4569 53.2743 32.0673 175.0480 186 S 4.4045 8.6978 115.6285 59.1828 62.9935 173.7284 187 L 4.7564 9.3152 126.8214 54.7120 42.8202 175.0718 188 F 5.3647 8.4206 122.1589 57.0123 40.8336 174.6832 189 N 4.6312 8.5481 125.9934 51.6866 39.3049 175.4707 190 S 3.6788 8.3940 122.2872 60.9927 62.8898 175.3970 191 R 3.8558 7.3925 120.8201 59.4233 30.1715 176.9564 192 T 4.0010 9.9174 114.9281 62.4812 67.8910 174.8122 193 R 3.6916 8.0877 119.0552 57.7101 28.2250 175.8719 194 K 4.7576 7.4771 114.2354 54.6797 37.0015 175.3872 195 N 5.4309 8.6704 119.7817 52.1141 40.6260 174.6878 196 Y 4.8565 9.0515 125.1652 56.5931 36.6965 173.8411 197 L 5.0725 7.6479 122.5460 52.9250 46.4748 174.7992 198 A 5.1808 9.1811 126.1126 49.8910 23.2526 174.7214 199 W 5.4164 9.1137 119.1320 55.2346 32.4574 174.3553 200 Y 5.2147 10.1452 123.0142 56.2438 40.8219 174.3687 201 Q 4.4526 9.3400 124.3301 54.2113 31.8529 173.9486 202 Q 4.8088 8.6377 127.4487 54.1647 31.4065 174.8222 203 K 4.5572 8.5417 125.8104 54.8530 33.4873 175.5190 204 P 4.0958 0.0000 0.0000 64.4715 32.0111 177.0002 205 G 4.0408 8.7131 111.0868 46.1124 0.0000 172.3721 206 Q 4.5871 7.3696 113.5312 54.3171 33.3754 175.2715 207 S 4.4022 8.3446 116.0337 57.2900 63.7958 172.5808 208 P 4.5256 0.0000 0.0000 63.2119 32.0065 175.3560 209 K 4.7069 9.1399 123.5134 54.4220 35.5779 174.6384 210 L 4.0598 8.6235 128.7862 55.1470 42.4838 175.3129 211 L 4.4905 9.0774 126.2976 56.1256 43.4847 176.4445 212 I 5.2713 7.6120 118.3554 59.6300 41.6267 173.5948 213 Y 5.0650 8.2891 122.5010 54.8687 42.2752 174.6526 214 W 4.4235 9.6202 115.0540 56.7486 26.9296 177.5277 215 A 4.0697 8.8319 126.0062 53.2956 17.9138 179.4306 216 S 4.9094 8.6533 104.9572 56.7367 64.5384 173.5911 217 T 4.3035 8.1134 119.6589 62.6008 69.8240 173.6885 218 R 4.7175 8.2772 126.8020 55.1938 31.4680 175.9151 219 E 4.5833 9.2896 126.5632 55.9176 30.8880 176.8506 220 S 4.2635 8.7091 117.6729 59.8381 63.5322 174.5520 221 G 3.8024 8.9330 110.1098 46.0061 0.0000 172.9874 222 V 4.2577 7.1778 118.3137 59.5176 32.9044 173.6359 223 P 4.3999 0.0000 0.0000 63.2363 31.3121 176.9912 224 D 4.4492 8.7226 119.6564 57.2394 41.4023 177.9642 225 R 4.0807 8.1972 118.2820 58.5897 30.7571 176.9330 226 F 4.6216 7.6814 116.6871 57.8345 39.6240 175.2868 227 T 4.4693 9.0631 120.6412 62.1036 72.5230 173.3571 228 G 4.3842 8.7229 114.3906 45.5923 0.0000 172.0701 229 S 4.7129 9.1543 116.2514 57.1355 67.1437 172.4911 230 G 3.9589 9.3289 105.7600 45.0437 0.0000 172.7047 231 S 4.5482 7.7782 110.7042 58.0493 66.1115 173.5993 232 G 3.8866 9.8602 116.7778 45.7289 0.0000 175.1141 233 T 4.5147 8.0834 114.9439 62.9520 72.2499 174.8819 234 D 5.3438 7.5086 121.0271 52.4605 43.4598 175.8062 235 F 5.3638 9.6360 121.4590 56.1496 43.8847 174.0333 236 T 5.6730 9.3602 114.8656 60.7329 71.0653 172.0156 237 L 4.3839 8.1600 130.7030 53.7872 43.8102 174.9142 238 T 4.8034 8.6525 122.6816 61.7249 72.2995 173.0064 239 I 3.9341 8.1105 127.0206 59.7181 37.9491 176.1077 240 S 3.8561 8.3989 123.3060 61.3206 63.2744 174.8436 241 S 4.8248 7.8327 120.2952 54.8851 65.0689 173.0642 242 V 4.0751 8.7837 128.2200 62.0939 32.4636 175.2335 243 Q 4.8953 9.1551 120.3657 53.7831 32.6795 176.3185 244 A 3.9738 8.8612 123.5531 55.5551 18.3291 179.9212 245 E 4.0917 8.1318 111.4166 58.8626 29.6665 177.2644 246 D 4.7984 8.1039 118.5210 54.5980 40.7942 175.6840 247 L 4.2661 7.6864 122.7517 56.3213 42.6163 175.9882 248 A 4.3682 8.1742 127.0526 52.0047 24.0171 174.1119 249 V 4.7500 7.9579 117.9432 61.5131 34.2437 174.1273 250 Y 5.0584 9.0571 125.6701 56.5651 40.2294 174.1786 251 Y 5.5186 9.3748 122.3403 56.3820 41.2014 172.3942 252 C 5.1225 9.1295 117.3879 53.6458 40.5673 172.4884 253 K 5.0933 8.8970 121.7868 54.8678 35.9474 174.8233 254 Q 4.5849 8.7755 126.2707 55.6891 30.1240 174.8198 255 S 4.1090 8.6452 118.7242 56.4034 65.1555 172.9703 256 Y 4.4168 7.4895 124.7476 54.9982 41.9183 173.8216 257 Y 4.5291 7.6462 123.7148 58.8703 38.3251 175.7719 258 H 4.7163 9.8865 117.6487 55.9257 28.7942 175.0806 259 M 4.6609 7.6271 118.9038 53.8167 34.9296 172.8031 260 Y 5.0221 8.5496 122.6235 56.5324 42.0088 174.8698 261 T 4.5652 8.3978 119.5514 61.8504 72.5367 173.0149 262 F 5.1170 8.8585 125.2016 56.3928 40.4159 176.1216 263 G 4.1870 9.4895 111.1885 45.9721 0.0000 174.1106 264 S 4.3923 8.8150 114.1930 59.3265 63.3702 175.7848 265 G 3.7817 8.6900 105.6678 45.8985 0.0000 172.8671 266 T 4.7472 8.3878 115.9881 61.3833 72.0434 173.5318 267 K 4.6673 8.6237 126.6909 55.8764 33.9004 175.8931 268 L 5.2902 9.3774 126.8172 53.3615 45.0508 174.9385 269 E 5.0752 8.9529 124.7831 54.6119 33.4570 174.7256 270 I 4.9462 8.3130 122.5423 59.7603 39.2494 175.4906 271 K 4.5706 9.0304 126.3991 55.1352 34.6367 175.2235 272 H 4.7113 8.6869 122.0654 55.1517 30.8989 174.9167 273 H 4.4021 8.7191 120.7498 56.9443 29.4902 174.5848 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 23 E 8.30 4.32 0.00 2.07 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 2.39 2.31 0.00 24 V 7.48 3.84 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 -0.05 0.00 0.00 0.53 0.00 0.00 25 Q 9.87 4.56 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 26 L 8.75 4.87 0.00 1.68 1.61 1.03 0.67 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 27 Q 8.74 4.79 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 28 Q 9.64 5.20 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 29 S 8.65 4.66 0.00 3.97 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 30 G 8.53 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.88 0.00 2.12 2.09 0.00 3.74 0.00 0.00 3.69 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 32 E 9.84 4.77 0.00 1.80 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 2.24 2.37 0.00 33 L 8.62 5.17 0.00 1.61 1.54 0.98 0.91 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 34 V 8.91 4.66 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 0.69 0.00 0.00 0.91 0.00 0.00 35 K 8.38 4.70 0.00 1.67 1.66 0.00 2.13 0.00 0.00 2.02 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.32 7.81 36 P 0.00 4.37 0.00 0.85 1.45 0.00 3.33 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.69 0.00 37 G 9.70 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 38 A 7.54 4.47 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 39 S 8.37 4.93 0.00 3.69 3.75 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 40 V 8.29 4.73 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 0.78 0.00 0.00 0.84 0.00 0.00 41 K 8.52 5.28 0.00 1.60 1.56 0.00 1.40 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.21 1.24 7.81 42 M 8.51 4.73 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 43 S 8.88 5.45 0.00 4.00 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 0.00 44 C 8.66 4.89 0.00 3.05 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 9.24 4.82 0.00 1.77 1.62 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.50 7.81 46 A 8.62 5.03 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 47 S 8.69 4.23 0.00 3.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 10.33 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 49 Y 7.08 4.68 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.82 4.03 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 1.30 0.00 0.00 51 F 8.45 3.69 0.00 2.74 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 52 T 7.90 4.17 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 53 S 8.75 4.23 0.00 4.07 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 54 Y 7.81 4.72 0.00 2.67 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 55 V 8.13 4.14 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 0.70 0.00 0.00 0.65 0.00 0.00 56 M 8.93 5.05 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.56 0.00 57 H 9.57 5.63 0.00 3.11 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 W 8.99 5.47 0.00 3.17 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.21 4.96 2.52 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 1.40 0.00 0.00 1.04 0.00 0.00 60 K 9.38 4.79 0.00 1.93 1.68 0.00 2.15 0.00 0.00 2.07 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 0.88 7.81 61 Q 8.82 4.94 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 62 K 9.11 3.83 0.00 1.78 1.75 0.00 1.82 0.00 0.00 2.06 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 63 P 0.00 3.31 0.00 2.10 2.07 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 64 G 8.80 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 0.00 0.00 0.00 65 Q 7.90 4.28 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 66 G 8.24 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 67 L 8.28 4.75 0.00 1.75 1.78 0.84 0.86 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 68 E 8.92 4.85 0.00 2.16 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 2.40 2.45 0.00 69 W 9.16 4.74 0.00 3.36 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 70 I 8.91 3.27 1.79 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.19 0.65 0.00 0.00 71 G 5.72 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 0.00 0.00 0.00 72 Y 7.43 5.53 0.00 3.02 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 73 I 9.02 4.86 1.95 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 1.25 1.43 1.16 0.00 0.00 74 N 9.61 5.07 0.00 2.96 2.97 0.00 0.00 6.90 8.26 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 75 P 0.00 4.29 0.00 1.79 1.55 0.00 3.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.67 0.00 76 Y 8.40 4.32 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 77 N 8.00 4.80 0.00 2.86 3.05 0.00 0.00 6.34 8.07 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 78 D 8.72 4.42 0.00 2.78 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 79 G 7.70 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 0.00 0.00 0.00 0.00 80 T 8.13 4.90 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 1.15 0.00 0.00 81 K 7.43 4.51 0.00 1.15 1.33 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.68 7.81 82 Y 8.40 4.73 0.00 2.80 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 83 N 9.13 4.66 0.00 2.79 2.76 0.00 0.00 7.00 8.27 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 84 E 9.15 3.86 0.00 2.18 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 2.42 2.44 0.00 85 K 8.23 3.72 0.00 1.81 2.18 0.00 1.85 0.00 0.00 1.98 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.76 1.22 7.81 86 F 8.97 4.43 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.98 4.01 0.00 1.79 1.63 0.00 1.92 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.35 7.81 88 G 8.91 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 89 K 7.79 4.39 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.52 7.81 90 A 8.14 4.83 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 91 T 8.13 4.49 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 1.20 0.00 0.00 92 L 10.12 4.64 0.00 1.25 1.58 0.67 0.34 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 93 T 8.04 4.45 4.32 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 1.37 0.00 0.00 94 S 8.27 5.20 0.00 4.31 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 95 D 9.17 4.69 0.00 2.93 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.08 4.08 0.00 1.97 1.98 0.00 2.03 0.00 0.00 2.05 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.77 7.81 97 S 8.27 4.10 0.00 3.96 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 98 S 8.01 4.43 0.00 3.90 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 99 S 7.21 2.00 0.00 3.67 3.36 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 0.00 100 T 6.37 4.87 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 0.51 0.00 0.00 101 A 8.87 5.29 1.59 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 0.00 102 Y 9.46 5.25 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 8.57 4.57 0.00 0.82 0.57 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 104 E 8.50 4.90 0.00 1.96 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 2.09 2.33 0.00 105 L 8.45 4.79 0.00 1.51 1.44 0.29 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.06 4.96 0.00 3.75 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 0.00 107 S 8.37 3.79 0.00 3.92 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 0.00 108 L 8.32 4.05 0.00 1.71 1.56 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.43 4.61 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 1.31 0.00 0.00 110 S 8.36 4.11 0.00 4.03 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 0.00 111 E 8.14 4.22 0.00 1.97 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 0.00 2.31 2.32 0.00 112 D 7.58 4.83 0.00 2.83 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 0.00 113 S 8.41 5.14 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.19 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.04 4.55 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 0.55 0.00 0.00 0.87 0.00 0.00 116 Y 8.87 5.22 0.00 3.13 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 0.00 117 Y 9.71 6.10 0.00 3.08 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 0.00 118 C 8.73 4.58 0.00 1.86 1.18 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 0.00 119 A 8.04 4.76 -0.09 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 0.00 120 R 8.68 4.46 0.00 1.71 1.62 0.00 2.76 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.00 121 G 8.55 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.70 4.90 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 0.00 123 Y 8.91 3.26 0.00 2.89 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 0.00 124 K 8.12 3.97 0.00 1.88 1.96 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.47 1.47 7.81 125 R 7.08 4.40 0.00 1.80 1.83 0.00 3.54 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 126 G 8.26 3.63 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 0.00 0.00 0.00 127 Y 7.51 3.60 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.51 4.08 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 0.00 129 M 8.17 4.66 0.00 1.44 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 130 D 7.69 4.06 0.00 2.83 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 0.00 131 Y 7.68 5.02 0.00 2.82 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 0.00 132 W 9.06 5.10 0.00 3.03 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 0.00 133 G 9.14 4.37 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 0.00 134 Q 8.83 4.33 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.33 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 135 G 8.73 3.75 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 0.00 0.00 0.00 136 T 8.75 4.68 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 1.43 0.00 0.00 137 S 8.69 4.77 0.00 3.92 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 0.00 138 V 8.78 4.97 2.43 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 0.99 0.00 0.00 1.01 0.00 0.00 139 T 9.22 4.79 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 1.23 0.00 0.00 140 V 8.75 5.09 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 0.60 0.00 0.00 0.95 0.00 0.00 141 S 8.18 4.64 0.00 3.88 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 0.00 142 S 8.77 4.86 0.00 4.23 3.75 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 *159 D 8.28 4.47 0.00 2.70 2.62 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 0.00 160 L 8.28 4.42 0.00 1.61 1.51 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 161 V 9.27 4.41 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 1.03 0.00 0.00 0.95 0.00 0.00 162 M 8.81 5.08 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 163 S 9.12 5.13 0.00 3.89 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 0.00 164 Q 8.44 5.10 0.00 2.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 165 S 8.56 5.00 0.00 3.90 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 0.00 166 P 0.00 4.69 0.00 2.38 2.11 0.00 3.80 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 2.00 1.95 0.00 167 S 8.79 4.39 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 0.00 168 S 7.79 5.22 0.00 3.93 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 0.00 169 L 8.32 4.60 0.00 1.70 1.75 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.57 5.20 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 0.00 171 V 8.44 4.48 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 0.93 0.00 0.00 0.89 0.00 0.00 172 S 8.71 4.77 0.00 3.83 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 0.00 173 A 8.61 3.89 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 0.00 174 G 9.56 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.18 4.04 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 176 K 8.31 5.15 0.00 1.75 1.62 0.00 1.47 0.00 0.00 2.22 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.46 7.81 177 V 8.45 4.46 1.87 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 0.76 0.00 0.00 0.81 0.00 0.00 178 T 8.21 4.95 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 1.18 0.00 0.00 179 M 8.92 4.83 0.00 1.99 1.71 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 180 S 9.14 5.41 0.00 3.91 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 0.00 181 C 8.92 5.33 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 K 9.88 5.52 0.00 1.70 1.66 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.45 7.81 183 S 8.97 5.38 0.00 3.97 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 0.00 184 S 8.95 4.50 0.00 3.90 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 0.00 185 Q 7.45 4.64 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 186 S 8.70 4.40 0.00 3.90 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 0.00 187 L 9.32 4.76 0.00 1.78 1.73 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 188 F 8.42 5.36 0.00 3.22 3.06 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 0.00 189 N 8.55 4.63 0.00 2.91 2.94 0.00 0.00 6.61 7.55 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 0.00 190 S 8.39 3.68 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 0.00 191 R 7.39 3.86 0.00 1.76 2.23 0.00 3.29 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 192 T 9.92 4.00 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 1.57 0.00 0.00 193 R 8.09 3.69 0.00 1.96 2.13 0.00 3.66 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 194 K 7.48 4.76 0.00 1.34 1.03 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.26 7.81 195 N 8.67 5.43 0.00 2.87 3.00 0.00 0.00 6.93 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.05 4.86 0.00 3.06 3.34 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 0.00 197 L 7.65 5.07 0.00 0.88 0.80 0.41 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 198 A 9.18 5.18 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 W 9.11 5.42 0.00 3.22 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 10.15 5.21 0.00 3.15 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 0.00 201 Q 9.34 4.45 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 1.80 1.51 0.00 202 Q 8.64 4.81 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 203 K 8.54 4.56 0.00 1.66 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.41 7.81 204 P 0.00 4.10 0.00 2.04 2.01 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 205 G 8.71 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 0.00 206 Q 7.37 4.59 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 207 S 8.34 4.40 0.00 3.84 3.75 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 0.00 208 P 0.00 4.53 0.00 1.87 2.00 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.99 0.00 209 K 9.14 4.71 0.00 1.75 1.70 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.34 7.81 210 L 8.62 4.06 0.00 1.72 1.53 0.98 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 211 L 9.08 4.49 0.00 1.76 1.58 0.84 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 212 I 7.61 5.27 2.12 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 1.43 0.67 1.10 0.00 0.00 213 Y 8.29 5.07 0.00 2.66 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 0.00 214 W 9.62 4.42 0.00 3.61 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 0.00 215 A 8.83 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 S 8.65 4.91 0.00 3.98 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 0.00 217 T 8.11 4.30 3.49 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 0.84 0.00 0.00 218 R 8.28 4.72 0.00 1.80 1.81 0.00 3.27 0.00 0.00 3.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 219 E 9.29 4.58 0.00 2.13 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 2.59 2.46 0.00 220 S 8.71 4.26 0.00 3.99 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 0.00 221 G 8.93 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 0.00 222 V 7.18 4.26 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 0.77 0.00 0.00 0.96 0.00 0.00 223 P 0.00 4.40 0.00 2.41 2.32 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.33 0.00 224 D 8.72 4.45 0.00 2.67 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 0.00 225 R 8.20 4.08 0.00 1.19 1.59 0.00 3.37 0.00 0.00 3.21 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.00 226 F 7.68 4.62 0.00 2.92 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 0.00 227 T 9.06 4.47 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 1.19 0.00 0.00 228 G 8.72 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 0.00 0.00 0.00 0.00 229 S 9.15 4.71 0.00 3.93 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 0.00 230 G 9.33 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 0.00 0.00 0.00 231 S 7.78 4.55 0.00 3.62 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 G 9.86 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 0.00 233 T 8.08 4.51 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 1.29 0.00 0.00 234 D 7.51 5.34 0.00 2.42 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 F 9.64 5.36 0.00 3.13 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 T 9.36 5.67 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 237 L 8.16 4.38 0.00 0.27 0.38 0.59 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 238 T 8.65 4.80 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 1.11 0.00 0.00 239 I 8.11 3.93 1.55 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.35 0.33 0.00 0.00 240 S 8.40 3.86 0.00 3.66 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 0.00 241 S 7.83 4.82 0.00 3.77 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 0.00 242 V 8.78 4.08 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 0.82 0.00 0.00 0.94 0.00 0.00 243 Q 9.16 4.90 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 244 A 8.86 3.97 1.31 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 0.00 0.00 245 E 8.13 4.09 0.00 2.15 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 2.33 2.33 0.00 246 D 8.10 4.80 0.00 2.89 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 L 7.69 4.27 0.00 1.84 1.65 0.94 1.08 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 0.00 248 A 8.17 4.37 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 V 7.96 4.75 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 0.45 0.00 0.00 0.90 0.00 0.00 250 Y 9.06 5.06 0.00 3.06 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 0.00 251 Y 9.37 5.52 0.00 3.14 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 C 9.13 5.12 0.00 1.66 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 0.00 253 K 8.90 5.09 0.00 1.70 1.74 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.07 0.82 7.81 254 Q 8.78 4.58 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 255 S 8.65 4.11 0.00 3.71 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 0.00 256 Y 7.49 4.42 0.00 2.73 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 0.00 257 Y 7.65 4.53 0.00 3.06 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 0.00 258 H 9.89 4.72 0.00 3.57 3.64 0.00 5.49 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 0.00 259 M 7.63 4.66 0.00 1.63 1.26 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 260 Y 8.55 5.02 0.00 2.59 2.52 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 0.00 0.00 0.00 0.00 261 T 8.40 4.57 4.16 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 0.00 0.00 0.00 1.21 0.00 0.00 262 F 8.86 5.12 0.00 2.91 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 0.00 263 G 9.49 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 0.00 0.00 0.00 0.00 264 S 8.82 4.39 0.00 4.07 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 0.00 265 G 8.69 3.78 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 0.00 0.00 0.00 266 T 8.39 4.75 4.37 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 1.31 0.00 0.00 267 K 8.62 4.67 0.00 1.73 1.75 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.38 7.81 268 L 9.38 5.29 0.00 1.74 1.85 0.91 0.77 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 0.00 269 E 8.95 5.08 0.00 1.97 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 2.23 2.27 0.00 270 I 8.31 4.95 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 0.95 0.00 0.00 271 K 9.03 4.57 0.00 1.72 1.69 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 272 H 8.69 4.71 0.00 3.18 3.17 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 273 H 8.72 4.40 0.00 3.24 3.23 0.00 5.80 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 * Residues marked with a * may have inaccurate shift predictions.