NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2551 8.3449 121.7094 55.9353 31.0166 175.6295 2 V 3.6707 7.4585 109.5435 61.3981 32.7002 174.8633 3 Q 4.4136 9.1258 122.1363 54.7838 33.3065 173.3559 4 L 4.7682 8.6454 124.7892 53.3928 43.8799 175.9553 5 V 4.5592 8.1484 117.6666 59.8571 34.1643 175.8915 6 Q 5.0359 10.0000 127.0769 54.6033 30.9457 174.4254 7 S 4.6847 7.8097 113.7610 56.5156 64.6091 173.6240 8 G 3.7417 8.3720 109.9066 45.6588 0.0000 174.0801 9 A 4.4895 7.9737 123.4511 50.1115 17.8233 177.1167 10 E 4.1043 7.6966 122.5137 56.4966 31.4465 178.0699 11 V 4.8374 8.1374 121.4136 61.3328 34.6230 174.4474 12 K 4.7346 8.9817 125.7648 54.5271 37.5051 175.4933 13 K 4.4629 8.4640 122.2424 55.4084 33.5991 174.3452 14 P 4.7547 0.0000 0.0000 63.3140 31.6277 176.4744 15 G 4.2383 8.9445 113.3542 46.4553 0.0000 174.4226 16 S 4.5057 7.2122 114.1443 58.7050 64.2096 173.7120 17 S 4.7810 8.3151 114.0309 56.9539 66.0089 173.7196 18 V 4.3650 8.5561 114.4071 59.5918 35.0879 174.6823 19 K 5.8217 8.1286 123.1850 53.6041 31.8720 175.3509 20 V 4.0610 7.5325 124.0137 61.9767 33.4043 174.4121 21 S 5.0630 8.4120 119.5022 56.8446 66.1547 172.8848 22 C 5.0262 9.5589 125.5797 55.5077 41.9723 172.1593 23 T 4.9319 8.6577 122.6187 61.7426 71.0053 173.1098 24 S 4.5261 8.3931 122.1855 57.4525 62.8494 174.1435 25 S 4.3328 8.7052 122.0749 60.5765 62.6446 174.1717 26 E 4.6447 7.8635 115.8456 54.2601 31.4626 176.1075 27 V 3.7307 8.3044 120.7062 66.0273 32.3197 177.1867 28 T 4.4063 7.5396 111.0801 60.4655 67.4624 173.8796 29 F 4.5067 8.0636 127.4380 61.7661 40.6850 176.7203 30 S 3.8842 8.1154 116.6245 61.2479 62.7796 175.8764 31 S 4.4422 8.1872 113.1475 59.4282 63.1791 173.0468 32 F 4.9231 7.7492 118.7876 55.4158 41.6447 174.9298 33 A 4.3503 8.9216 125.9418 52.0373 19.8021 176.0486 34 I 4.7995 8.4791 122.4767 59.7572 39.7472 175.3114 35 S 5.4332 9.0898 122.6958 56.6205 66.8170 172.9477 36 W 5.0770 8.9538 120.8829 55.1363 32.2119 175.8071 37 V 5.7137 9.3598 124.2089 61.0872 31.4491 174.2522 38 R 3.9769 7.8675 121.2214 55.7225 31.5362 176.4562 39 Q 4.7404 8.9954 121.2270 54.1331 31.7781 174.5919 40 A 4.5225 8.5449 129.5818 51.0717 19.2592 174.6887 41 P 4.1859 0.0000 0.0000 64.1044 31.7238 175.8114 42 G 4.2217 9.1004 112.5293 45.6883 0.0000 173.4922 43 Q 4.4514 7.2462 116.1265 54.6841 30.8590 175.8571 44 G 4.2504 8.3151 111.7258 45.8828 0.0000 172.7230 45 L 4.6347 8.0323 122.0946 53.0184 44.3667 176.0559 46 E 4.8889 8.5767 122.3146 54.5128 33.2328 173.9286 47 W 4.7828 9.4633 135.0000 57.6089 31.4067 175.6454 48 L 3.4850 8.4745 127.6693 55.3031 42.1581 176.6286 49 G 2.9314 5.8102 103.9028 47.9354 0.0000 171.9012 50 G 4.5578 6.4157 110.2067 45.7705 0.0000 171.7312 51 I 4.7041 8.1567 119.7472 58.8048 41.4094 174.7126 52 S 4.6278 8.2860 120.5534 56.5397 61.8379 173.2081 53 P 4.4405 0.0000 0.0000 65.5892 31.3716 177.8983 54 M 4.2317 8.0370 117.0462 57.7661 32.3781 176.7170 55 F 4.3583 7.8694 115.4012 57.3981 40.2453 176.2596 56 G 4.3940 9.3521 114.0757 45.6673 0.0000 173.6680 57 T 3.9422 7.8177 114.4603 61.5976 67.8997 170.4240 58 P 5.0113 0.0000 0.0000 61.1426 34.5210 173.9253 59 N 5.0491 9.0468 117.8067 51.8035 41.5823 173.5237 60 Y 4.9527 8.6870 120.0877 55.8703 41.6565 175.0647 61 A 4.7132 8.7612 123.9773 51.5864 20.2392 178.9475 62 Q 3.9491 8.9601 121.6553 59.1301 29.0474 180.0948 63 K 3.7328 8.2023 117.0229 58.6478 32.3817 177.0176 64 F 4.6888 8.6597 115.8029 57.2533 39.3937 177.1220 65 Q 3.7824 7.7579 122.6077 59.2408 28.8639 178.9155 66 G 3.8080 7.8727 104.2449 46.4964 0.0000 174.2061 67 R 4.3454 8.1476 118.8654 57.9243 31.7860 177.1150 68 V 4.2912 7.5725 116.4923 62.7585 33.2949 175.9095 69 T 4.6068 8.8097 122.1313 62.5208 72.0549 172.7044 70 I 5.2459 8.7615 120.9086 59.5522 40.1788 174.9104 71 T 4.7575 8.7336 113.0830 61.5891 72.7073 171.7947 72 A 5.3338 8.4257 122.2606 50.9390 22.5625 175.4922 73 D 4.6806 9.5202 122.9803 53.1709 41.8082 177.1482 74 Q 4.3597 9.0045 126.5995 59.4623 29.2028 178.7312 75 S 4.1401 8.3946 112.5830 61.7355 62.7577 175.5880 76 T 4.2008 10.1166 106.4443 60.7707 69.7941 174.3931 77 R 2.5100 7.6606 121.5082 57.0526 28.2465 175.2614 78 T 4.9331 7.4805 109.9036 60.2993 71.7797 172.9314 79 A 5.5995 9.5609 129.4822 50.5707 22.5872 174.8970 80 Y 5.2825 10.0396 117.8720 56.4342 42.6524 174.6315 81 M 4.3226 8.7108 121.3630 53.9733 35.2979 173.8184 82 D 5.1129 8.8426 127.9966 52.8651 41.8463 174.0631 83 L 4.8241 8.4180 127.7060 53.3990 44.1066 175.2074 84 R 4.7901 7.6473 121.8488 54.8089 33.8835 175.3273 85 S 3.8640 8.8360 114.5662 59.1662 60.5551 172.1111 86 L 4.4629 7.4054 120.6788 55.6484 41.0868 176.6263 87 R 4.7272 8.2164 125.0331 55.3363 32.2801 176.6740 88 S 4.2818 8.5823 111.8977 61.7317 62.9356 176.7351 89 E 3.9533 8.4219 120.3730 59.4805 29.2755 177.3197 90 D 4.7219 7.8665 115.1256 55.5505 41.0902 176.2321 91 T 4.1744 7.8742 117.6469 63.7879 68.9379 173.4150 92 A 4.4485 8.4285 126.3963 52.0243 23.9395 174.7314 93 V 4.5067 8.5379 111.9593 60.6016 33.3786 175.5990 94 Y 4.8147 8.3823 121.7442 56.6145 40.5318 174.2453 95 Y 5.1373 8.6161 122.6135 56.7662 40.3418 174.2471 96 C 4.2760 8.3951 117.2664 54.4276 44.0681 172.3029 97 A 4.5941 8.3802 121.3304 50.6191 22.7023 175.4990 98 R 4.4383 9.1882 124.5322 56.1744 31.3043 175.1988 99 S 5.7502 9.4289 122.0292 55.7389 63.3802 172.3937 100 P 4.7778 0.0000 0.0000 64.5391 31.8787 176.3535 101 S 4.5609 7.9303 116.2806 56.7501 64.8035 174.6859 102 Y 4.3616 8.1122 118.5434 58.2333 38.3214 175.5848 103 I 4.3373 6.4470 117.8424 58.9031 41.0534 175.3790 104 C 4.4196 8.3378 126.0460 55.4038 42.3323 173.7970 105 S 3.5309 6.7947 119.1767 57.1533 63.2435 174.4193 106 G 2.8077 6.2694 109.0160 45.0529 0.0000 174.8294 107 G 3.5306 8.7580 108.5371 48.9207 0.0000 175.1696 108 T 3.8634 7.5055 108.1034 63.7314 69.0097 175.9198 109 C 4.2086 8.3471 124.2885 55.8312 38.5716 172.1876 110 V 3.7458 7.2639 117.8003 58.9179 35.4325 174.4551 111 F 5.2972 8.4706 120.5352 55.9528 38.3784 174.9013 112 D 4.6742 9.0298 123.3263 55.2484 40.7400 176.9007 113 H 5.2847 8.1819 115.3271 53.6648 32.6575 172.7182 114 W 5.2175 9.0534 121.1623 54.7616 32.8243 176.0626 115 G 4.2148 8.4704 110.1100 46.0264 0.0000 172.9270 116 Q 4.4234 9.3169 116.4749 57.0851 29.5618 174.9637 117 G 3.8057 6.6922 103.6473 43.8374 0.0000 174.1004 118 T 4.4782 7.7902 119.4687 61.1561 70.7561 171.2170 119 L 4.3131 8.3413 125.7241 55.0838 42.8703 175.4428 120 V 4.9157 8.3613 127.5105 61.0584 33.2189 174.8312 121 T 4.9427 8.4173 123.3624 61.6980 72.3726 173.1454 122 V 4.7756 7.9219 123.5139 61.1198 33.6419 175.6937 123 S 4.5122 9.1950 125.2359 58.4816 63.5034 174.3429 124 S 4.4470 8.4383 117.3206 57.1028 64.3431 173.7174 *139 I 3.8565 7.9573 115.1814 61.1098 38.2544 175.5456 140 Q 4.3886 8.1800 121.1176 54.8588 29.6550 171.6219 141 P 4.5420 0.0000 0.0000 62.6171 31.9999 176.7970 142 G 4.1706 8.3487 105.8886 46.1899 0.0000 172.9788 143 L 5.0278 7.7297 119.2881 53.2791 47.1183 175.2302 144 T 4.6113 8.4789 117.5777 62.3110 70.2906 174.1395 145 Q 4.9027 8.5114 125.3371 53.2223 32.0866 173.2810 146 P 4.2186 0.0000 0.0000 62.5782 31.7641 174.4666 147 P 4.7024 0.0000 0.0000 65.0665 32.7147 175.8473 148 S 5.1742 7.8497 114.7339 56.8852 67.1616 173.7414 149 V 4.4401 8.8909 122.5930 61.4791 35.0515 174.0063 150 S 5.0470 8.8037 122.9071 56.8697 65.6214 173.3843 151 K 4.6766 8.6974 123.4505 54.2280 36.5313 176.5304 152 G 4.0051 8.5818 109.5409 45.2420 0.0000 172.7311 153 L 3.9524 8.3238 122.5466 56.5785 42.2696 177.5827 154 R 3.8979 8.8080 124.0339 56.8144 30.0214 176.2743 155 Q 4.4907 7.9924 116.5447 56.4892 30.6133 174.7115 156 T 4.9872 8.3675 108.3641 60.3680 71.8295 173.1926 157 A 4.7586 9.7632 124.3811 50.5434 22.8812 175.7256 158 T 4.1845 8.1381 115.1743 61.9744 71.7708 173.2897 159 L 4.6605 8.4385 127.7600 53.3374 43.6431 176.1114 160 T 5.2834 8.5917 112.7677 60.0663 71.8207 173.6503 161 C 5.2522 9.6906 124.2549 55.2804 44.4346 172.6930 162 T 5.1949 8.6663 122.2884 62.2196 71.3484 173.5480 163 G 4.1362 8.8063 112.1574 46.0057 0.0000 169.7265 164 N 5.0642 9.4268 118.8204 52.0604 39.3664 174.9179 165 S 4.2054 8.6815 110.0486 61.6371 62.9644 176.3167 166 N 4.5148 8.5911 116.6668 53.8419 39.8797 175.5237 167 N 5.5392 7.9859 111.7103 52.2574 37.9377 176.3995 168 V 3.5602 8.8566 119.2586 65.1642 32.7747 177.1103 169 G 4.0466 8.1963 108.7528 48.5572 0.0000 173.8395 170 N 4.6567 7.6577 116.2778 54.7838 39.4470 177.2638 171 Q 3.9524 7.9534 115.7027 56.7247 29.0071 177.7145 172 G 3.9634 7.7087 102.7912 45.0285 0.0000 171.7307 173 A 5.2775 8.3423 118.1937 48.7994 23.1978 174.8393 174 A 4.9196 8.6896 119.8703 50.1734 22.4222 176.1036 175 W 5.2778 8.8263 122.0084 55.8797 32.1803 175.4831 176 L 5.0097 9.1702 120.0197 53.9908 46.1630 174.5955 177 Q 4.7656 9.0636 125.2844 54.6556 31.5703 174.3323 178 Q 4.4235 8.5034 126.7317 54.8676 32.3047 173.6095 179 H 4.6968 8.6876 124.0854 54.8188 30.5819 175.0282 180 Q 3.7438 8.6550 122.2552 58.2679 29.3325 175.4673 181 G 4.3460 9.1061 119.0341 46.2260 0.0000 173.6859 182 H 4.4338 7.1115 114.8392 54.0774 29.2974 173.6907 183 P 4.0781 0.0000 0.0000 61.6214 31.9749 174.0169 184 P 4.4648 0.0000 0.0000 62.1893 32.4092 175.2102 185 K 4.5510 8.4720 118.8913 55.4726 36.5659 174.8214 186 L 4.7352 8.4607 123.1444 54.6589 42.1089 176.1528 187 L 4.5401 8.4890 126.6462 56.7540 42.6832 177.0456 188 S 4.6207 7.8150 110.2453 57.4906 65.9773 174.1477 189 Y 4.5850 8.5180 119.8346 56.6284 39.1382 176.7267 190 R 4.2996 9.0109 120.2574 58.8481 30.3031 176.5368 191 N 4.7130 8.3378 113.3824 52.1112 37.8037 174.9091 192 N 4.4051 8.7181 114.8721 54.5927 37.1874 173.5269 193 D 4.8024 7.7390 117.0646 53.8550 41.7055 175.7419 194 R 4.7274 8.3281 119.3263 53.9219 31.0540 174.5625 195 P 4.5922 0.0000 0.0000 62.4026 32.3763 176.6717 196 S 4.2757 9.1338 113.9102 62.2258 62.9135 177.1347 197 G 4.0759 8.0433 109.3692 47.8196 0.0000 173.8278 198 I 3.9511 6.9132 119.8212 59.6216 37.7917 176.2885 199 S 4.4131 8.0907 118.2621 58.1096 63.6186 174.5791 200 E 4.3554 8.5908 117.8965 57.3490 30.0048 177.2192 201 R 4.3004 7.9088 115.1874 56.8494 29.9844 176.0120 202 F 4.7819 7.7947 118.3103 55.9501 37.7779 174.2163 203 S 4.9160 8.5026 116.9850 56.3586 65.6107 173.6373 204 A 5.1489 8.4782 123.5249 50.6611 22.0662 175.3158 205 S 4.7667 8.8736 113.6936 58.2709 66.6478 172.8242 206 R 4.9305 8.3413 117.5998 55.7953 32.9882 175.5784 207 S 4.4548 8.1816 117.6750 57.1233 65.1473 175.6328 208 G 3.9083 8.8334 116.7804 45.5065 0.0000 171.6308 209 N 5.0901 8.8015 113.4616 52.8122 41.9020 174.9798 210 T 4.8853 8.1761 116.5278 61.5563 70.7279 172.3701 211 A 4.5455 8.9566 128.2930 51.7132 20.2958 176.4382 212 S 5.1267 9.3766 117.1819 56.8550 67.6038 172.7405 213 L 4.4940 7.9309 126.9677 53.6052 43.5439 175.0243 214 T 4.5627 8.4413 124.1586 62.2494 69.7159 173.8610 215 I 4.1117 7.8575 128.4877 59.9098 38.5304 175.2392 216 T 3.9349 8.4212 118.2009 59.7997 70.8959 174.5782 217 G 3.8587 8.2862 109.1658 46.0957 0.0000 174.0909 218 L 4.1851 8.2377 118.6640 55.5335 43.0075 177.4685 219 Q 4.8603 9.1786 120.0172 53.3040 33.4696 174.2502 220 P 4.2237 0.0000 0.0000 66.5889 31.1653 178.2862 221 E 4.0480 8.3830 117.2674 59.1611 29.4020 178.5987 222 D 4.6607 8.3685 117.2684 56.2135 41.1607 176.4061 223 E 4.2393 8.0282 115.8587 55.7077 30.4172 175.3640 224 A 4.2240 7.9168 128.0845 51.8742 24.2335 174.5495 225 D 4.9706 8.7367 115.0681 54.3328 42.0069 175.6964 226 Y 5.3923 7.9327 115.8256 56.8370 42.5413 173.9626 227 Y 5.2384 9.6309 121.9888 56.3036 41.5448 172.7980 228 C 4.3954 8.3682 118.2333 54.4826 45.5900 172.4382 229 S 5.2983 8.4782 113.3804 57.7736 66.3844 173.0030 230 T 4.8578 7.8456 116.8767 62.0568 73.8579 172.1393 231 W 4.3722 8.6459 133.0065 57.0832 32.2503 174.0885 232 D 5.0910 8.0399 128.0415 52.5248 41.9133 176.6436 233 S 4.6735 9.2685 121.1436 59.0045 63.4436 174.8926 234 S 4.5292 7.9554 115.0551 58.9337 63.4239 174.5262 235 L 4.5563 7.3411 118.3292 53.4970 43.5526 175.9142 236 S 3.8233 8.0524 113.5930 58.7409 60.5858 171.1222 237 A 3.9865 5.9696 118.8595 50.3107 23.3785 176.8582 238 V 3.9067 6.7170 119.3857 62.0465 32.6377 175.7527 239 V 4.5462 8.0719 119.8064 59.5547 35.6376 174.5563 240 F 5.3424 8.5862 120.0932 55.5381 43.4304 174.7930 241 G 4.1795 8.6552 108.4442 45.4981 0.0000 174.4374 242 G 3.7681 8.7442 108.9751 47.0481 0.0000 173.7460 243 G 3.4174 8.1295 105.3575 44.6199 0.0000 173.4208 244 T 4.3104 7.5827 109.8822 61.1973 70.9310 172.4798 245 K 4.3971 8.7180 130.5782 55.6423 33.3033 176.2360 246 L 4.7061 8.7062 128.5262 54.9919 43.8316 175.6075 247 T 4.7664 8.8310 122.3383 61.6683 71.6272 173.4890 248 V 4.4601 8.6418 127.3035 62.0981 32.5639 175.7135 249 L 4.3028 8.2275 127.6982 55.4619 41.8143 175.4176 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 4.26 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 2 V 7.46 3.67 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 0.57 0.00 0.00 0.55 0.00 0.00 3 Q 9.13 4.41 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 4 L 8.65 4.77 0.00 1.69 1.57 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.15 4.56 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 0.73 0.00 0.00 0.95 0.00 0.00 6 Q 10.00 5.04 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.17 0.00 7 S 7.81 4.68 0.00 3.88 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 8 G 8.37 3.74 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 0.00 0.00 0.00 9 A 7.97 4.49 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 7.70 4.10 0.00 1.85 1.84 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 2.37 2.29 0.00 11 V 8.14 4.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 12 K 8.98 4.73 0.00 1.64 1.59 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.32 7.81 13 K 8.46 4.46 0.00 1.83 1.65 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 P 0.00 4.75 0.00 1.97 1.98 0.00 3.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 15 G 8.94 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 0.00 0.00 0.00 0.00 16 S 7.21 4.51 0.00 4.10 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 17 S 8.32 4.78 0.00 3.82 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 18 V 8.56 4.36 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 0.59 0.00 0.00 0.73 0.00 0.00 19 K 8.13 5.82 0.00 1.68 1.65 0.00 1.60 0.00 0.00 2.34 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.33 7.81 20 V 7.53 4.06 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 1.08 0.00 0.00 0.66 0.00 0.00 21 S 8.41 5.06 0.00 3.29 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 22 C 9.56 5.03 0.00 2.71 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.66 4.93 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 1.13 0.00 0.00 24 S 8.39 4.53 0.00 3.97 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 25 S 8.71 4.33 0.00 3.91 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 26 E 7.86 4.64 0.00 2.03 1.84 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 2.16 2.28 0.00 27 V 8.30 3.73 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 0.86 0.00 0.00 0.93 0.00 0.00 28 T 7.54 4.41 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 29 F 8.06 4.51 0.00 3.11 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 30 S 8.12 3.88 0.00 3.90 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 31 S 8.19 4.44 0.00 3.91 4.10 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 32 F 7.75 4.92 0.00 2.81 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.92 4.35 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 34 I 8.48 4.80 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.77 0.00 0.00 35 S 9.09 5.43 0.00 4.13 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 8.95 5.08 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 9.36 5.71 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 0.97 0.00 0.00 0.88 0.00 0.00 38 R 7.87 3.98 0.00 0.80 0.73 0.00 2.78 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 39 Q 9.00 4.74 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 40 A 8.54 4.52 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 41 P 0.00 4.19 0.00 2.07 2.04 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 42 G 9.10 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 0.00 0.00 0.00 0.00 43 Q 7.25 4.45 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 44 G 8.32 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 45 L 8.03 4.63 0.00 0.27 0.38 -0.25 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.58 4.89 0.00 2.10 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 2.45 2.48 0.00 47 W 9.46 4.78 0.00 3.52 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 8.47 3.48 0.00 1.52 1.11 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.81 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 6.42 4.56 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 0.00 51 I 8.16 4.70 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.76 1.08 0.00 0.00 52 S 8.29 4.63 0.00 3.95 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 53 P 0.00 4.44 0.00 1.62 1.68 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 54 M 8.04 4.23 0.00 1.89 2.03 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 2.11 1.56 0.00 55 F 7.87 4.36 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.35 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.82 3.94 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 58 P 0.00 5.01 0.00 1.55 1.93 0.00 3.79 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 1.95 2.04 0.00 59 N 9.05 5.05 0.00 2.94 3.20 0.00 0.00 7.16 7.38 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 60 Y 8.69 4.95 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 4.71 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 0.00 0.00 0.00 0.00 0.00 62 Q 8.96 3.95 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 63 K 8.20 3.73 0.00 1.58 1.46 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.52 1.16 7.81 64 F 8.66 4.69 0.00 3.03 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 65 Q 7.76 3.78 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 66 G 7.87 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 0.00 0.00 0.00 67 R 8.15 4.35 0.00 1.85 1.98 0.00 3.11 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 68 V 7.57 4.29 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 0.92 0.00 0.00 69 T 8.81 4.61 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 1.24 0.00 0.00 70 I 8.76 5.25 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 1.06 0.00 0.00 71 T 8.73 4.76 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 1.30 0.00 0.00 72 A 8.43 5.33 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 73 D 9.52 4.68 0.00 2.85 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 74 Q 9.00 4.36 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 75 S 8.39 4.14 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 10.12 4.20 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 1.26 0.00 0.00 77 R 7.66 2.51 0.00 1.70 1.33 0.00 3.25 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.00 78 T 7.48 4.93 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 1.18 0.00 0.00 79 A 9.56 5.60 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 80 Y 10.04 5.28 0.00 2.95 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 81 M 8.71 4.32 0.00 1.03 0.57 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.07 0.00 82 D 8.84 5.11 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.42 4.82 0.00 1.73 1.37 1.02 0.91 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 84 R 7.65 4.79 0.00 1.73 1.74 0.00 3.32 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 85 S 8.84 3.86 0.00 4.01 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 86 L 7.41 4.46 0.00 1.91 1.89 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.22 4.73 0.00 1.94 1.91 0.00 3.18 0.00 0.00 3.26 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 88 S 8.58 4.28 0.00 3.86 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 89 E 8.42 3.95 0.00 1.98 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 2.35 2.40 0.00 90 D 7.87 4.72 0.00 3.11 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.87 4.17 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 1.28 0.00 0.00 92 A 8.43 4.45 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 93 V 8.54 4.51 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.03 0.00 0.00 94 Y 8.38 4.81 0.00 3.01 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 95 Y 8.62 5.14 0.00 3.14 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 96 C 8.40 4.28 0.00 1.68 1.78 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 97 A 8.38 4.59 0.24 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 98 R 9.19 4.44 0.00 1.94 2.07 0.00 3.45 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 99 S 9.43 5.75 0.00 3.70 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 0.00 100 P 0.00 4.78 0.00 2.09 2.46 0.00 3.88 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 1.97 2.15 0.00 101 S 7.93 4.56 0.00 3.82 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 0.00 102 Y 8.11 4.36 0.00 2.98 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 0.00 103 I 6.45 4.34 1.20 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.81 0.05 0.00 0.00 104 C 8.34 4.42 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 6.79 3.53 0.00 3.63 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 0.00 106 G 6.27 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.76 3.53 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 0.00 108 T 7.51 3.86 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 1.09 0.00 0.00 109 C 8.35 4.21 0.00 2.53 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 0.00 110 V 7.26 3.75 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 0.64 0.00 0.00 1.06 0.00 0.00 111 F 8.47 5.30 0.00 2.98 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 9.03 4.67 0.00 2.64 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.18 5.28 0.00 3.15 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 W 9.05 5.22 0.00 3.00 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 0.00 115 G 8.47 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 9.32 4.42 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 117 G 6.69 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 0.00 0.00 0.00 118 T 7.79 4.48 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 L 8.34 4.31 0.00 1.63 1.61 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.36 4.92 1.66 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 0.89 0.00 0.00 0.61 0.00 0.00 121 T 8.42 4.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 122 V 7.92 4.78 2.09 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 0.88 0.00 0.00 0.97 0.00 0.00 123 S 9.19 4.51 0.00 3.74 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 0.00 124 S 8.44 4.45 0.00 3.97 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 *139 I 7.96 3.86 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.98 0.00 0.00 140 Q 8.18 4.39 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.06 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 141 P 0.00 4.54 0.00 2.13 2.05 0.00 3.72 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 2.15 0.00 142 G 8.35 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 0.00 0.00 0.00 0.00 143 L 7.73 5.03 0.00 1.63 1.48 0.82 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.48 4.61 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 0.00 145 Q 8.51 4.90 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 146 P 0.00 4.22 0.00 2.19 2.12 0.00 3.99 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 2.06 2.03 0.00 147 P 0.00 4.70 0.00 2.14 2.35 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 148 S 7.85 5.17 0.00 3.71 3.74 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 0.00 149 V 8.89 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 1.01 0.00 0.00 0.93 0.00 0.00 150 S 8.80 5.05 0.00 3.73 3.74 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 0.00 151 K 8.70 4.68 0.00 1.61 1.59 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.32 7.81 152 G 8.58 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.32 3.95 0.00 1.73 1.63 0.99 0.92 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 0.00 154 R 8.81 3.90 0.00 1.95 2.01 0.00 3.31 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 155 Q 7.99 4.49 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 156 T 8.37 4.99 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 1.18 0.00 0.00 157 A 9.76 4.76 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.14 4.18 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 1.13 0.00 0.00 159 L 8.44 4.66 0.00 1.14 1.28 0.63 0.22 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 0.00 160 T 8.59 5.28 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 1.24 0.00 0.00 161 C 9.69 5.25 0.00 2.76 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 0.00 162 T 8.67 5.19 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 1.26 0.00 0.00 163 G 8.81 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 9.43 5.06 0.00 2.83 2.90 0.00 0.00 7.05 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 0.00 165 S 8.68 4.21 0.00 3.88 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 0.00 166 N 8.59 4.51 0.00 2.90 2.82 0.00 0.00 6.36 6.20 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 0.00 167 N 7.99 5.54 0.00 2.81 2.62 0.00 0.00 6.37 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 8.86 3.56 2.19 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 0.97 0.00 0.00 0.92 0.00 0.00 169 G 8.20 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 7.66 4.66 0.00 2.57 2.88 0.00 0.00 7.22 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 0.00 171 Q 7.95 3.95 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 172 G 7.71 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 0.00 173 A 8.34 5.28 1.12 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 0.00 0.00 174 A 8.69 4.92 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 0.00 175 W 8.83 5.28 0.00 3.38 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 0.00 176 L 9.17 5.01 0.00 2.06 1.63 1.33 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 177 Q 9.06 4.77 0.00 2.29 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 178 Q 8.50 4.42 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 179 H 8.69 4.70 0.00 3.18 3.22 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 8.65 3.74 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 181 G 9.11 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 0.00 182 H 7.11 4.43 0.00 3.15 3.20 0.00 5.85 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 4.08 0.00 1.90 2.14 0.00 3.82 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 1.94 2.18 0.00 184 P 0.00 4.46 0.00 0.58 1.47 0.00 2.20 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.14 0.00 185 K 8.47 4.55 0.00 1.74 1.73 0.00 1.24 0.00 0.00 1.51 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.33 7.81 186 L 8.46 4.74 0.00 1.77 1.56 1.18 0.56 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 0.00 187 L 8.49 4.54 0.00 1.77 1.83 1.39 0.69 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 0.00 188 S 7.82 4.62 0.00 3.94 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 0.00 189 Y 8.52 4.58 0.00 3.19 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 0.00 190 R 9.01 4.30 0.00 1.79 2.00 0.00 3.30 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 191 N 8.34 4.71 0.00 2.94 3.03 0.00 0.00 6.32 6.96 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 0.00 192 N 8.72 4.41 0.00 3.03 3.01 0.00 0.00 7.04 7.91 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 0.00 193 D 7.74 4.80 0.00 2.95 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 8.33 4.73 0.00 1.93 1.97 0.00 3.08 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 195 P 0.00 4.59 0.00 2.02 2.04 0.00 3.71 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.48 0.00 196 S 9.13 4.28 0.00 4.03 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 0.00 197 G 8.04 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 I 6.91 3.95 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.55 0.00 0.00 199 S 8.09 4.41 0.00 4.05 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 0.00 200 E 8.59 4.36 0.00 2.13 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 2.29 2.25 0.00 201 R 7.91 4.30 0.00 2.14 2.19 0.00 2.80 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 202 F 7.79 4.78 0.00 3.01 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 0.00 203 S 8.50 4.92 0.00 3.83 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 0.00 204 A 8.48 5.15 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 0.00 205 S 8.87 4.77 0.00 3.86 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 0.00 206 R 8.34 4.93 0.00 1.82 1.83 0.00 3.23 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 207 S 8.18 4.45 0.00 3.93 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 0.00 208 G 8.83 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 0.00 209 N 8.80 5.09 0.00 2.62 2.96 0.00 0.00 6.58 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 8.18 4.89 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 1.26 0.00 0.00 211 A 8.96 4.55 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 9.38 5.13 0.00 3.72 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 0.00 213 L 7.93 4.49 0.00 0.28 0.13 0.76 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 214 T 8.44 4.56 4.10 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 1.10 0.00 0.00 215 I 7.86 4.11 1.40 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.19 0.15 0.00 0.00 216 T 8.42 3.93 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 1.12 0.00 0.00 217 G 8.29 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 0.00 218 L 8.24 4.19 0.00 1.70 1.59 0.88 0.74 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 0.00 219 Q 9.18 4.86 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 220 P 0.00 4.22 0.00 2.23 2.36 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 221 E 8.38 4.05 0.00 2.04 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 0.00 2.35 2.47 0.00 222 D 8.37 4.66 0.00 2.71 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 0.00 223 E 8.03 4.24 0.00 2.38 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 2.49 2.24 0.00 224 A 7.92 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 D 8.74 4.97 0.00 2.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 Y 7.93 5.39 0.00 3.14 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 Y 9.63 5.24 0.00 2.90 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 0.00 228 C 8.37 4.40 0.00 2.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 S 8.48 5.30 0.00 3.56 4.10 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 0.00 230 T 7.85 4.86 4.13 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 1.26 0.00 0.00 231 W 8.65 4.37 0.00 3.29 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 0.00 232 D 8.04 5.09 0.00 2.50 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 0.00 0.00 0.00 0.00 233 S 9.27 4.67 0.00 4.07 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 0.00 234 S 7.96 4.53 0.00 4.02 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 0.00 235 L 7.34 4.56 0.00 1.41 1.61 0.92 0.91 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 0.00 236 S 8.05 3.82 0.00 4.12 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 0.00 237 A 5.97 3.99 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 0.00 238 V 6.72 3.91 1.01 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 0.42 0.00 0.00 0.23 0.00 0.00 239 V 8.07 4.55 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 0.66 0.00 0.00 0.76 0.00 0.00 240 F 8.59 5.34 0.00 3.03 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 0.00 241 G 8.66 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 G 8.74 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 8.13 3.42 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 0.00 244 T 7.58 4.31 4.51 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 1.42 0.00 0.00 245 K 8.72 4.40 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.37 7.81 246 L 8.71 4.71 0.00 2.06 1.72 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 247 T 8.83 4.77 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 1.30 0.00 0.00 248 V 8.64 4.46 2.09 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 1.07 0.00 0.00 0.99 0.00 0.00 249 L 8.23 4.30 0.00 1.73 1.43 0.92 0.86 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 * Residues marked with a * may have inaccurate shift predictions.