NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.4417 8.4381 107.8380 46.5993 0.0000 172.6453 4 V 4.6515 8.4980 124.6787 59.0132 33.0637 174.4583 5 T 4.8113 9.8189 115.2184 60.2592 72.4207 174.2199 6 Q 5.3606 8.4579 120.2415 54.6548 33.0484 174.5159 7 T 4.8074 8.8212 112.5127 59.3987 72.5716 172.3874 8 P 4.8807 0.0000 0.0000 61.8914 33.5085 175.3932 9 K 3.9655 8.4125 118.0123 58.4112 33.1120 176.5563 10 F 5.2045 7.7187 115.5441 55.8952 43.1441 174.3971 11 Q 4.6363 8.9295 120.6294 55.1543 32.8833 172.9806 12 V 4.9397 8.5012 125.6871 61.1903 33.8105 174.5165 13 L 4.9704 9.1190 126.8157 52.7890 46.1619 175.5624 14 K 4.8265 8.7516 122.7345 55.4732 33.8188 176.3468 15 T 4.2436 8.4462 122.8729 65.7268 68.8340 174.6967 16 G 3.9849 8.8838 115.0494 45.4358 0.0000 173.9584 17 Q 4.2959 8.0048 118.1578 56.0115 30.0397 175.8629 18 S 5.2076 8.1112 116.6642 57.2322 65.3565 173.2667 19 M 4.3456 7.6930 117.1186 55.1908 35.3075 173.0638 20 T 4.8998 8.4614 119.2729 60.1984 70.1280 172.8590 21 L 4.4875 8.8222 129.4361 54.0778 43.5104 175.5719 22 Q 5.0010 8.9222 122.6975 54.4504 31.2189 173.7861 23 C 5.6233 8.9147 121.8138 54.7606 43.9321 172.4430 24 A 5.4091 8.9231 126.9085 50.3229 22.4779 174.6281 25 Q 4.6329 9.0598 121.4073 54.1231 32.7724 175.0159 26 D 5.1792 8.0367 125.1212 54.7582 40.2528 175.9464 27 M 4.5960 8.5420 115.3310 53.9319 33.2590 175.8655 28 N 4.3251 8.2536 115.3408 54.6500 37.6087 173.9433 29 H 4.5451 7.7005 111.1048 55.4492 29.5906 175.8833 30 N 4.4720 8.7728 120.0148 55.4402 38.9411 175.3218 31 S 5.5050 7.5656 110.6321 56.3530 65.5101 173.7961 32 M 5.0188 7.5341 119.5801 54.1290 36.7129 173.4487 33 Y 5.3299 9.2814 119.3935 56.1837 42.6934 174.1561 34 W 5.3391 9.3789 123.6082 55.3689 31.6000 174.7747 35 Y 5.5372 9.9572 122.4399 56.1771 41.5002 174.7189 36 R 4.9237 8.9190 118.2651 54.4666 32.6741 174.2923 37 Q 5.4676 9.2154 122.8321 53.8570 31.5377 173.9090 38 D 4.9551 8.4662 124.8560 51.5939 45.3321 173.1068 39 P 4.4003 0.0000 0.0000 67.0498 30.6478 175.8172 40 G 4.1206 8.8335 112.2356 45.7963 0.0000 173.1245 41 M 4.2161 8.1783 117.9064 54.8667 33.5088 178.3887 42 G 3.7189 7.8162 107.0564 45.5124 0.0000 172.1857 43 L 4.9082 8.3435 122.4750 53.6471 42.6890 175.7761 44 R 4.9487 8.7245 123.5387 53.9298 32.8706 175.5106 45 L 4.1393 9.2748 126.9990 55.8381 42.8866 177.0100 46 I 4.0009 9.3479 128.3674 63.5337 38.0013 175.2219 47 Y 5.4464 7.7935 117.5255 57.1626 42.7344 172.7671 48 Y 5.4524 9.3432 118.5931 55.7315 42.5781 173.8564 49 S 4.6068 8.7194 114.4452 55.2121 64.3188 174.7251 50 A 3.9812 8.5760 131.1723 54.9165 18.6158 176.4348 51 S 4.5446 7.1257 107.7264 57.9245 65.3993 173.3834 52 E 3.9052 8.5155 121.6571 58.7614 29.2751 174.9472 53 G 4.1379 7.8623 117.0156 46.1096 0.0000 173.7921 54 T 4.4147 7.7496 117.5711 61.9484 69.7044 173.6929 55 T 4.8218 8.1919 115.7803 60.0665 71.8363 172.9741 56 D 4.8724 8.7438 122.0184 52.4065 45.6828 175.0184 57 K 3.5456 8.7905 121.2572 56.4371 32.5750 177.8059 58 G 4.1194 7.9572 114.4006 46.3865 0.0000 174.1991 59 E 4.2335 8.8223 120.1985 58.3259 30.0365 178.4077 60 V 4.6927 7.1740 109.9729 59.4596 30.3312 174.4374 61 P 4.5344 0.0000 0.0000 64.6692 32.7561 178.5125 62 N 4.1762 8.2914 118.2843 55.3163 38.7993 174.9722 63 G 3.5797 8.8202 110.8432 45.7624 0.0000 171.8277 *65 Y 5.2033 7.2639 115.2946 58.0319 39.2526 174.1246 66 N 4.9814 8.9687 118.6824 51.5665 42.8151 173.8176 67 V 4.7296 7.6101 112.5047 59.7298 36.1440 175.0825 68 S 4.4839 8.7973 116.6104 56.9437 64.4373 172.7258 69 R 4.9186 8.9306 130.3275 55.4504 30.1517 176.3241 *70 L 4.3985 8.2610 124.7880 55.8854 41.4972 174.8366 71 N 5.1722 7.5693 112.2917 51.7182 40.1218 174.1904 72 K 4.0902 8.5553 116.7813 59.7276 32.5066 178.9589 73 R 4.5897 8.1049 117.4258 57.7502 31.7521 176.6874 74 E 5.2730 8.7922 118.0602 54.4343 33.0860 175.5399 75 F 5.4640 9.4047 125.5696 57.0342 42.6132 173.2203 76 S 5.0095 9.3282 123.7012 57.0881 65.0780 173.1280 77 L 4.5433 8.2143 126.2433 53.0041 43.9410 174.7845 78 R 4.8264 8.7964 127.0719 54.4498 33.0314 174.4399 79 L 4.5776 8.2878 126.2363 53.4297 42.4988 177.4403 80 E 3.7616 8.8495 124.5144 58.7846 29.6745 177.3817 81 S 4.5413 7.5628 114.4905 55.7406 64.2221 172.8555 82 A 4.1824 8.6014 129.1897 51.8807 19.3771 175.9093 83 A 4.9186 8.4130 123.2080 49.2536 22.2697 175.2493 84 P 4.6301 0.0000 0.0000 64.9479 31.5693 178.6591 85 S 4.3741 8.0495 110.5502 60.1837 63.0542 174.6093 86 Q 4.4439 8.2381 119.6729 56.5523 28.9401 175.6812 87 T 4.2093 7.6966 116.0473 64.8732 69.1103 173.3577 88 S 4.4532 8.6563 120.3373 58.0448 67.1999 173.5898 89 V 4.7210 7.7047 121.0043 61.2649 33.4636 173.9639 90 Y 5.2286 8.8560 125.7883 56.3587 40.7172 174.6837 91 F 5.2746 9.9545 122.3102 55.9477 42.7647 173.3266 92 C 4.6032 8.8388 123.3850 55.3954 43.9325 171.9489 93 A 4.8240 9.0187 126.2497 50.3364 22.3950 175.5746 94 S 4.7282 8.6388 115.2514 56.3854 62.7785 171.7552 95 P 3.1364 0.0000 0.0000 61.8566 32.4910 177.5402 *97 G 3.8182 8.1039 107.5786 45.4441 0.0000 172.0282 98 L 4.3206 8.4153 117.5383 55.2557 41.9927 177.6106 99 A 4.2307 8.3348 122.9788 52.8426 18.9745 178.2850 100 G 4.3175 8.2935 108.5974 45.8620 0.0000 174.6781 101 E 3.8534 7.8178 117.8992 58.4962 30.2816 178.3580 *103 Y 4.7827 7.6459 115.5084 57.4751 39.9522 174.8485 *105 E 4.3532 7.7857 116.1367 56.1099 30.9669 174.9052 106 Q 4.1675 8.1663 123.3636 55.3229 29.4302 175.2594 107 Y 4.8089 8.2821 122.8834 58.6109 39.4474 175.1370 108 F 5.2690 8.2463 117.8120 55.2675 41.9196 175.7458 109 G 4.0284 9.0303 110.2558 45.3989 0.0000 172.6134 110 P 4.5459 0.0000 0.0000 63.0953 31.6146 177.8524 111 G 3.9608 7.7325 104.2142 45.2940 0.0000 172.8457 112 T 4.4909 7.8159 110.1719 59.5040 71.9441 172.9287 113 R 4.5172 8.3559 125.5000 54.9903 31.6842 174.9861 114 L 5.3120 8.9045 126.8063 53.4688 45.0764 175.0029 115 T 4.8940 8.9550 122.7251 61.7854 71.5019 173.0569 116 V 4.8067 8.7936 127.1557 61.7580 33.3121 174.6133 117 T 4.8068 8.9288 122.8251 60.1506 70.1904 174.5918 118 E 4.0690 8.8433 124.2201 57.7695 30.2821 176.3475 119 D 4.7802 7.8012 117.4032 52.5405 44.7487 175.8399 120 L 4.3471 8.6828 125.7003 56.9305 41.9685 178.5281 121 K 4.5894 7.9732 116.6208 57.9655 32.7924 177.7603 122 N 4.6093 8.0101 117.3726 55.4920 38.7213 175.3108 123 V 4.5698 7.5129 119.1544 62.8133 32.2811 175.5118 124 F 4.9974 9.5867 126.1083 55.1134 43.3049 172.7223 125 P 3.2963 0.0000 0.0000 61.1425 32.3719 174.0961 126 P 4.7724 0.0000 0.0000 62.9036 32.4285 175.3690 127 E 4.5037 9.0418 121.7832 55.5276 31.2810 175.3854 128 V 4.9396 8.3641 122.8678 61.0708 34.1919 174.3816 129 A 4.7517 9.1360 128.5842 50.0707 22.7663 174.5256 130 V 4.8325 8.2478 120.0024 61.1438 34.0754 174.6474 131 F 4.7856 9.5469 126.8489 55.7150 40.9551 175.2327 132 E 4.1590 8.8577 123.4012 55.1876 30.2912 175.1257 133 P 4.3926 0.0000 0.0000 62.4126 31.7117 176.6681 134 S 4.3049 8.6002 119.5629 58.6775 64.0285 175.9258 135 E 4.1434 8.7420 121.0275 60.8523 29.5603 179.7878 136 A 4.2165 7.9141 119.4518 55.3858 18.4474 179.1294 137 E 3.8464 8.1077 117.7570 59.5098 29.8811 178.8519 138 I 3.9359 7.6059 120.4421 63.9510 37.0269 178.5791 139 S 4.2363 7.7933 112.8835 61.2510 63.0336 175.3481 140 H 4.5365 7.9808 121.0514 57.6586 29.9239 175.5263 141 T 4.4041 7.9192 107.4125 60.0319 70.1061 174.0713 142 Q 3.6902 8.2544 119.9687 56.6391 27.3802 172.6584 143 K 5.0484 7.6439 116.3423 54.4779 36.3195 175.0483 144 A 4.4925 9.3997 123.7513 50.6274 21.9554 175.0924 145 T 4.6582 8.8860 120.3101 62.0046 70.2793 174.4023 146 L 4.4746 8.7039 127.3402 53.3407 43.9812 175.7180 147 V 4.9678 8.5024 123.0849 61.3803 34.0213 173.3089 148 C 5.4644 10.0011 128.5495 55.0179 47.1063 172.1018 149 L 5.2394 9.2198 126.9273 53.4714 45.0376 174.7611 150 A 5.3061 9.2308 129.9748 50.6759 20.7998 175.4689 151 T 4.8878 9.0228 112.8540 61.0928 72.5251 175.3047 152 G 4.0016 8.6954 110.4774 45.6177 0.0000 173.4572 153 F 5.1192 7.5389 114.7367 56.2102 40.2595 174.1394 154 Y 5.3536 9.2273 121.7459 55.9823 42.5911 173.0304 155 P 4.2492 0.0000 0.0000 60.7767 33.4523 175.6088 156 D 4.9401 7.7889 117.9365 54.2340 38.9554 177.7709 157 H 4.9510 8.0043 117.6990 55.2977 28.2487 174.9849 158 V 4.9449 7.7648 112.8167 59.3252 36.3059 174.6020 159 E 4.6286 9.0664 122.5319 54.6740 32.6157 174.4397 160 L 5.1279 8.6140 127.1856 53.5418 43.8939 175.5739 161 S 4.8160 9.1769 119.6709 56.7565 67.1510 172.5824 162 W 5.3489 8.7386 120.6486 55.0128 31.9170 174.9818 163 W 5.3113 9.7233 123.4233 55.0225 32.4752 174.2549 164 V 4.5886 8.9750 125.6685 61.4611 33.2114 175.4249 165 N 4.1607 9.8803 126.3760 54.2542 36.6395 175.6176 166 G 4.1374 8.8249 106.2725 45.0618 0.0000 174.1445 167 K 4.6985 7.9517 119.6902 54.1803 34.1252 175.3810 168 E 3.5042 7.7841 124.0896 55.6367 30.0592 176.1991 169 V 4.4210 7.8745 118.5885 59.9168 34.5675 175.2693 170 H 4.7415 8.3358 117.9099 56.0932 31.2349 174.3063 171 S 4.0260 7.9889 114.3742 59.4046 62.6017 173.7317 172 G 3.7576 8.9210 115.1185 45.9322 0.0000 171.8719 173 V 4.7173 7.2785 118.8965 60.7733 33.6595 174.5752 174 C 4.9447 9.0728 127.4126 57.9225 34.5452 172.5800 175 T 5.1941 8.5309 121.7507 61.3787 71.4211 173.5442 176 D 4.4437 8.5353 124.7256 54.6328 41.0918 175.1919 177 P 4.4059 0.0000 0.0000 65.8124 31.6029 177.4061 178 Q 4.7194 7.6656 113.5303 52.0092 31.8571 174.8936 179 P 4.7820 0.0000 0.0000 62.8106 32.4191 175.2037 180 L 4.7760 9.3905 124.9709 53.3439 44.3542 175.6204 181 K 3.9682 8.5858 125.5819 56.2693 31.9096 176.9219 182 E 3.9547 8.6455 126.0810 58.6688 30.3288 177.4856 183 Q 4.4326 8.3417 119.5724 52.5559 29.0365 173.8920 184 P 4.1687 0.0000 0.0000 65.0394 31.7523 177.6392 185 A 4.1984 7.8838 118.8246 53.1106 18.8656 176.9034 186 L 4.7682 7.4726 115.6086 52.7764 43.7959 176.7488 187 N 4.5403 8.7348 119.2999 55.5969 38.8083 175.8528 188 D 4.6610 7.7921 115.3477 52.6569 39.7569 175.9122 189 S 3.9856 7.9386 113.9439 59.6548 62.6947 174.4287 190 R 4.5162 8.4408 124.9766 56.4554 31.5485 174.8096 191 Y 5.0270 8.8675 118.1122 56.1598 41.4786 174.7788 192 A 5.2125 8.9425 122.3300 50.3587 23.0434 174.9661 193 L 5.2139 9.6435 121.8115 53.5091 46.3534 175.1166 194 S 5.4229 9.2285 119.7838 56.7585 66.2623 172.8280 195 S 5.3273 9.3952 115.8077 56.9169 66.4298 172.6585 196 R 5.2562 9.5316 122.9884 54.2770 34.1109 174.3501 197 L 4.5047 8.5442 124.0952 53.0493 44.8401 174.8672 198 R 4.7920 8.7245 127.7828 54.7460 31.5390 175.3837 199 V 4.5722 8.5217 119.5603 58.9113 35.9689 175.5815 200 S 4.5637 8.4791 115.7049 57.8857 64.0076 175.1357 201 A 4.1725 8.9203 124.1606 55.8230 18.1421 180.4524 202 T 4.0882 8.0104 107.7748 64.9150 68.7006 176.4601 203 F 4.1116 7.8508 122.5102 60.8343 39.7587 176.7042 204 W 4.6435 8.5522 127.5523 60.1620 30.3354 177.3703 205 Q 4.6867 7.8742 117.2932 55.1283 28.6426 175.3441 206 N 4.4946 7.3380 119.8316 51.9184 38.7383 173.8976 207 P 5.0193 0.0000 0.0000 64.7281 31.6375 178.1523 208 R 4.1597 8.2101 116.6313 58.2750 30.3965 176.6195 209 N 4.5222 7.8528 116.3844 53.0385 39.9980 173.4402 210 H 4.5334 8.9947 123.2657 54.0373 32.9223 172.1886 211 F 5.2729 9.3501 125.2276 55.7028 41.7894 174.2539 212 R 4.9152 9.3463 124.7042 54.5756 33.2053 173.1163 213 C 4.3809 8.9381 127.3488 55.1999 43.2295 171.7114 214 Q 4.7820 9.0146 128.7287 54.2158 31.2469 174.1611 215 V 4.6361 8.3325 126.7940 60.9320 33.7702 174.1805 216 Q 4.3739 8.9402 131.3936 55.7856 30.1607 174.2868 217 F 5.0891 9.1672 129.1360 56.5112 42.2846 173.1661 218 Y 4.4036 7.6548 123.7440 55.1367 39.1845 173.9742 219 G 3.8160 8.1946 114.7515 45.3436 0.0000 174.6914 220 L 4.5501 9.1636 125.9850 54.5792 42.9937 175.8958 221 S 5.0257 9.0107 117.6263 56.5523 65.6602 174.7371 222 E 3.9665 8.9799 120.9630 60.2831 29.1774 179.3064 223 N 4.5615 8.0257 114.1408 54.2954 38.0755 177.8643 224 D 4.6313 7.7870 118.8383 55.1781 41.5131 176.7013 225 E 4.3741 8.6224 119.5238 55.3757 30.6538 174.6031 226 W 5.0942 8.4800 132.0581 56.2110 33.2295 174.3313 227 T 4.5772 7.6409 116.1451 61.4008 68.9722 173.7201 228 Q 4.2391 6.5804 119.6593 55.1989 30.4610 175.9603 229 D 4.5151 8.6329 120.0494 57.4953 41.0598 177.9289 230 R 4.1107 7.9578 113.5320 55.6515 29.9373 176.0732 231 A 3.9898 8.5529 122.4111 52.1373 18.7910 177.4639 232 K 2.0000 8.4906 123.3589 55.8441 33.0928 176.1493 233 P 4.4101 0.0000 0.0000 62.1601 29.6758 175.5250 234 V 4.6770 6.9098 114.4350 60.9588 33.3887 177.4375 235 T 4.0087 8.2353 118.8689 64.6420 68.7336 173.6599 236 Q 4.5143 8.9418 122.8899 55.6032 32.7082 172.7830 237 I 4.7601 8.1583 120.4188 59.5800 39.1602 175.3587 238 V 4.4082 8.3405 127.0214 61.1983 33.8132 174.5742 239 S 5.2504 8.5674 121.8397 56.7639 66.8705 173.0701 240 A 4.9674 8.5431 123.1003 50.2394 22.5042 174.8478 241 E 5.2862 8.7441 116.3975 54.9533 33.2638 174.4306 242 A 5.1028 9.4120 121.3865 50.6812 23.0539 175.5327 243 W 5.1647 9.3025 120.1801 54.7008 31.8338 176.4752 244 G 3.6280 8.8739 109.1659 46.0855 0.0000 172.7024 245 R 4.7035 7.1364 121.1560 54.2484 32.7545 176.0066 246 A 3.8299 9.0649 132.2788 54.0347 18.9223 177.3525 *247 D 4.7468 8.1630 118.1485 53.8405 39.7878 176.1076 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 3 G 8.44 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 0.00 0.00 0.00 0.00 4 V 8.50 4.65 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 0.79 0.00 0.00 0.93 0.00 0.00 5 T 9.82 4.81 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 6 Q 8.46 5.36 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 7 T 8.82 4.81 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 P 0.00 4.88 0.00 2.34 2.13 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 9 K 8.41 3.97 0.00 1.75 1.69 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.63 1.19 7.81 10 F 7.72 5.20 0.00 2.57 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 11 Q 8.93 4.64 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 12 V 8.50 4.94 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 0.95 0.00 0.00 0.96 0.00 0.00 13 L 9.12 4.97 0.00 1.58 1.51 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.75 4.83 0.00 1.94 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.46 7.81 15 T 8.45 4.24 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 1.28 0.00 0.00 16 G 8.88 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 17 Q 8.00 4.30 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 18 S 8.11 5.21 0.00 3.72 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 19 M 7.69 4.35 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 20 T 8.46 4.90 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 1.16 0.00 0.00 21 L 8.82 4.49 0.00 0.87 1.36 0.10 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.92 5.00 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 23 C 8.91 5.62 0.00 2.83 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 24 A 8.92 5.41 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 25 Q 9.06 4.63 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 26 D 8.04 5.18 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.54 4.60 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 28 N 8.25 4.33 0.00 2.81 2.86 0.00 0.00 7.14 7.89 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 29 H 7.70 4.55 0.00 3.26 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.77 4.47 0.00 2.71 2.96 0.00 0.00 6.60 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 31 S 7.57 5.51 0.00 3.56 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 32 M 7.53 5.02 0.00 1.90 1.40 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 33 Y 9.28 5.33 0.00 2.91 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 34 W 9.38 5.34 0.00 3.28 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 35 Y 9.96 5.54 0.00 3.19 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 36 R 8.92 4.92 0.00 1.42 1.65 0.00 2.81 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 37 Q 9.22 5.47 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 38 D 8.47 4.96 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.40 0.00 2.07 2.08 0.00 3.68 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 2.07 2.12 0.00 40 G 8.83 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 0.00 0.00 0.00 41 M 8.18 4.22 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 42 G 7.82 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 0.00 0.00 0.00 43 L 8.34 4.91 0.00 1.42 1.45 0.36 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.72 4.95 0.00 1.83 1.91 0.00 3.18 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 45 L 9.27 4.14 0.00 1.85 1.69 0.71 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.35 4.00 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.64 0.00 0.00 47 Y 7.79 5.45 0.00 3.02 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 48 Y 9.34 5.45 0.00 2.63 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 49 S 8.72 4.61 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.58 3.98 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 51 S 7.13 4.54 0.00 3.90 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 52 E 8.52 3.91 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 53 G 7.86 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 54 T 7.75 4.41 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 1.12 0.00 0.00 55 T 8.19 4.82 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 1.25 0.00 0.00 56 D 8.74 4.87 0.00 1.58 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 57 K 8.79 3.55 0.00 1.58 1.53 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.15 1.48 7.81 58 G 7.96 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 0.00 0.00 0.00 59 E 8.82 4.23 0.00 1.93 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 0.00 2.38 2.34 0.00 60 V 7.17 4.69 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 61 P 0.00 4.53 0.00 1.88 1.60 0.00 3.79 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 1.95 1.85 0.00 62 N 8.29 4.18 0.00 2.80 2.86 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.82 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 0.00 0.00 0.00 *65 Y 7.26 5.20 0.00 3.25 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 66 N 8.97 4.98 0.00 2.53 2.52 0.00 0.00 6.81 7.58 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 67 V 7.61 4.73 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 0.26 0.00 0.00 0.34 0.00 0.00 68 S 8.80 4.48 0.00 3.82 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 69 R 8.93 4.92 0.00 1.94 1.75 0.00 3.45 0.00 0.00 2.86 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 *70 L 8.26 4.40 0.00 1.76 1.56 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.57 5.17 0.00 2.74 2.81 0.00 0.00 6.06 7.13 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 72 K 8.56 4.09 0.00 1.75 1.90 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.64 7.81 73 R 8.10 4.59 0.00 1.96 1.98 0.00 3.35 0.00 0.00 3.30 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.50 0.00 74 E 8.79 5.27 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 75 F 9.40 5.46 0.00 2.94 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 76 S 9.33 5.01 0.00 3.76 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 77 L 8.21 4.54 0.00 0.27 0.13 0.52 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.80 4.83 0.00 1.73 1.59 0.00 3.31 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 79 L 8.29 4.58 0.00 1.59 1.47 0.74 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.85 3.76 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 81 S 7.56 4.54 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.60 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.41 4.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.63 0.00 2.24 2.22 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 85 S 8.05 4.37 0.00 4.02 4.03 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 86 Q 8.24 4.44 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 87 T 7.70 4.21 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 1.36 0.00 0.00 88 S 8.66 4.45 0.00 3.80 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 89 V 7.70 4.72 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 0.56 0.00 0.00 0.89 0.00 0.00 90 Y 8.86 5.23 0.00 2.99 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 91 F 9.95 5.27 0.00 3.17 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 92 C 8.84 4.60 0.00 1.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.02 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.64 4.73 0.00 3.81 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 107 Y 8.28 4.81 0.00 2.97 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 0.00 108 F 8.25 5.27 0.00 2.88 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 0.00 109 G 9.03 4.03 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 0.00 0.00 0.00 110 P 0.00 4.55 0.00 2.03 2.13 0.00 3.73 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 2.03 2.11 0.00 111 G 7.73 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 0.00 112 T 7.82 4.49 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 1.36 0.00 0.00 113 R 8.36 4.52 0.00 1.21 1.70 0.00 3.06 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 0.00 114 L 8.90 5.31 0.00 1.76 1.74 0.83 0.70 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 0.00 115 T 8.96 4.89 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 1.16 0.00 0.00 116 V 8.79 4.81 2.24 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 0.97 0.00 0.00 0.99 0.00 0.00 117 T 8.93 4.81 4.69 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 1.48 0.00 0.00 118 E 8.84 4.07 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 2.30 2.33 0.00 119 D 7.80 4.78 0.00 2.69 2.59 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 0.00 120 L 8.68 4.35 0.00 1.92 1.94 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.97 4.59 0.00 1.80 1.78 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.43 7.81 122 N 8.01 4.61 0.00 2.97 2.62 0.00 0.00 6.89 7.84 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 0.00 123 V 7.51 4.57 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.18 0.00 0.00 124 F 9.59 5.00 0.00 3.08 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 0.00 125 P 0.00 3.30 0.00 1.81 1.85 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 126 P 0.00 4.77 0.00 2.03 1.93 0.00 3.29 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 127 E 9.04 4.50 0.00 1.97 1.91 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 2.29 2.26 0.00 128 V 8.36 4.94 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 0.71 0.00 0.00 0.86 0.00 0.00 129 A 9.14 4.75 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 0.00 130 V 8.25 4.83 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 1.07 0.00 0.00 0.96 0.00 0.00 131 F 9.55 4.79 0.00 3.01 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 0.00 132 E 8.86 4.16 0.00 1.93 1.91 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 2.55 2.47 0.00 133 P 0.00 4.39 0.00 1.43 1.67 0.00 2.20 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 134 S 8.60 4.30 0.00 3.99 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 0.00 135 E 8.74 4.14 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 136 A 7.91 4.22 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 0.00 137 E 8.11 3.85 0.00 2.04 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 2.37 2.32 0.00 138 I 7.61 3.94 2.07 0.00 0.00 1.00 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 1.37 1.00 0.00 0.00 139 S 7.79 4.24 0.00 4.05 4.03 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 0.00 140 H 7.98 4.54 0.00 3.26 3.41 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 7.92 4.40 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 1.23 0.00 0.00 142 Q 8.25 3.69 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 143 K 7.64 5.05 0.00 1.58 1.62 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.47 7.81 144 A 9.40 4.49 1.03 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 0.00 0.00 145 T 8.89 4.66 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 1.08 0.00 0.00 146 L 8.70 4.47 0.00 1.19 1.50 0.20 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.50 4.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.91 0.00 0.00 148 C 10.00 5.46 0.00 2.72 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 0.00 149 L 9.22 5.24 0.00 2.07 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 150 A 9.23 5.31 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 0.00 151 T 9.02 4.89 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 152 G 8.70 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 0.00 153 F 7.54 5.12 0.00 3.12 3.14 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 0.00 154 Y 9.23 5.35 0.00 3.29 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.25 0.00 1.61 1.42 0.00 3.92 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 156 D 7.79 4.94 0.00 2.52 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 0.00 157 H 8.00 4.95 0.00 3.09 2.93 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.76 4.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.72 0.00 0.00 159 E 9.07 4.63 0.00 1.92 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 2.34 2.33 0.00 160 L 8.61 5.13 0.00 1.60 1.54 0.88 0.72 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 0.00 161 S 9.18 4.82 0.00 3.96 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 0.00 162 W 8.74 5.35 0.00 3.26 3.16 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 0.00 163 W 9.72 5.31 0.00 3.19 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 0.00 164 V 8.98 4.59 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 1.02 0.00 0.00 1.12 0.00 0.00 165 N 9.88 4.16 0.00 2.90 2.87 0.00 0.00 7.25 7.49 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 0.00 166 G 8.82 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 0.00 167 K 7.95 4.70 0.00 1.86 1.68 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.42 7.81 168 E 7.78 3.50 0.00 1.16 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 1.67 1.47 0.00 169 V 7.87 4.42 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 0.76 0.00 0.00 0.93 0.00 0.00 170 H 8.34 4.74 0.00 3.11 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 7.99 4.03 0.00 3.77 3.70 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 0.00 172 G 8.92 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 0.00 0.00 0.00 173 V 7.28 4.72 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 0.96 0.00 0.00 0.80 0.00 0.00 174 C 9.07 4.94 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 8.53 5.19 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 1.35 0.00 0.00 176 D 8.54 4.44 0.00 2.68 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 0.00 177 P 0.00 4.41 0.00 2.07 2.15 0.00 3.66 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 2.06 2.12 0.00 178 Q 7.67 4.72 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.95 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 179 P 0.00 4.78 0.00 1.95 2.33 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 180 L 9.39 4.78 0.00 1.76 1.70 0.95 0.74 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 0.00 181 K 8.59 3.97 0.00 1.62 1.59 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.87 1.42 7.81 182 E 8.65 3.95 0.00 1.81 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 2.26 2.23 0.00 183 Q 8.34 4.43 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.75 0.00 0.00 0.00 0.00 0.00 2.16 2.34 0.00 184 P 0.00 4.17 0.00 2.01 2.11 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 185 A 7.88 4.20 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 0.00 186 L 7.47 4.77 0.00 1.69 1.52 0.86 0.84 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 0.00 187 N 8.73 4.54 0.00 2.73 2.92 0.00 0.00 6.86 8.06 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 0.00 188 D 7.79 4.66 0.00 2.36 2.59 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 0.00 189 S 7.94 3.99 0.00 3.92 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 0.00 190 R 8.44 4.52 0.00 1.65 1.62 0.00 2.68 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 191 Y 8.87 5.03 0.00 1.76 2.24 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 0.00 192 A 8.94 5.21 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 0.00 193 L 9.64 5.21 0.00 2.06 1.70 1.05 0.91 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 0.00 194 S 9.23 5.42 0.00 3.97 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 0.00 195 S 9.40 5.33 0.00 4.00 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 0.00 196 R 9.53 5.26 0.00 1.66 1.68 0.00 3.13 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 197 L 8.54 4.50 0.00 0.27 0.13 0.59 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 198 R 8.72 4.79 0.00 1.65 1.66 0.00 3.17 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 199 V 8.52 4.57 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 0.72 0.00 0.00 1.10 0.00 0.00 200 S 8.48 4.56 0.00 4.06 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 0.00 201 A 8.92 4.17 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 T 8.01 4.09 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 1.27 0.00 0.00 203 F 7.85 4.11 0.00 3.26 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 0.00 204 W 8.55 4.64 0.00 3.48 3.27 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 0.00 205 Q 7.87 4.69 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 206 N 7.34 4.49 0.00 2.71 2.59 0.00 0.00 7.09 7.59 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 0.00 207 P 0.00 5.02 0.00 2.04 2.04 0.00 3.71 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 208 R 8.21 4.16 0.00 1.82 1.97 0.00 3.31 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 209 N 7.85 4.52 0.00 2.56 2.09 0.00 0.00 6.56 8.16 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 0.00 210 H 8.99 4.53 0.00 2.59 2.94 0.00 5.53 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 F 9.35 5.27 0.00 3.30 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 0.00 212 R 9.35 4.92 0.00 1.66 1.77 0.00 2.94 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 213 C 8.94 4.38 0.00 1.77 2.54 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 0.00 214 Q 9.01 4.78 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 215 V 8.33 4.64 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 0.66 0.00 0.00 0.79 0.00 0.00 216 Q 8.94 4.37 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.08 1.48 0.00 217 F 9.17 5.09 0.00 2.85 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 0.00 218 Y 7.65 4.40 0.00 2.34 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 0.00 219 G 8.19 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 0.00 0.00 0.00 220 L 9.16 4.55 0.00 1.73 1.53 0.96 0.53 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 0.00 221 S 9.01 5.03 0.00 3.87 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 0.00 222 E 8.98 3.97 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.88 0.00 223 N 8.03 4.56 0.00 2.74 2.73 0.00 0.00 6.70 8.06 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 0.00 224 D 7.79 4.63 0.00 2.86 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 0.00 225 E 8.62 4.37 0.00 1.99 1.73 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 2.22 1.86 0.00 226 W 8.48 5.09 0.00 3.31 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 7.64 4.58 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 1.17 0.00 0.00 228 Q 6.58 4.24 0.00 1.34 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 7.09 0.00 0.00 0.00 0.00 0.00 1.16 1.29 0.00 229 D 8.63 4.52 0.00 2.69 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 0.00 230 R 7.96 4.11 0.00 2.05 2.07 0.00 3.25 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.02 0.00 231 A 8.55 3.99 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 0.00 232 K 8.49 2.00 0.00 1.32 1.48 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.99 0.76 7.81 233 P 0.00 4.41 0.00 2.22 1.94 0.00 2.20 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 234 V 6.91 4.68 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 1.01 0.00 0.00 0.91 0.00 0.00 235 T 8.24 4.01 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 1.02 0.00 0.00 236 Q 8.94 4.51 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 237 I 8.16 4.76 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.78 0.00 0.00 238 V 8.34 4.41 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 0.92 0.00 0.00 0.86 0.00 0.00 239 S 8.57 5.25 0.00 3.65 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 A 8.54 4.97 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 0.00 241 E 8.74 5.29 0.00 1.75 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 2.27 2.54 0.00 242 A 9.41 5.10 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 W 9.30 5.16 0.00 3.27 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 0.00 244 G 8.87 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 0.00 245 R 7.14 4.70 0.00 1.63 1.57 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 246 A 9.06 3.83 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 *247 D 8.16 4.75 0.00 2.81 2.47 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 * Residues marked with a * may have inaccurate shift predictions.