NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.2547 8.1233 123.5988 52.3657 18.8945 173.1584 10 N 3.9939 9.3843 124.5528 53.8428 38.3578 170.0678 11 A 3.5130 9.0763 130.5439 51.4041 16.0667 177.3965 12 A 4.0893 8.2890 122.9240 53.1117 19.1042 177.7483 13 I 4.5363 8.1974 121.5156 60.1165 37.4091 175.7777 14 E 4.5722 8.2916 125.3878 52.7816 29.8292 173.9398 15 P 4.0828 0.0000 0.0000 62.5941 32.3605 176.4866 16 A 4.2383 8.2867 124.0462 50.9752 20.0862 178.6987 17 S 4.0230 8.0879 113.5747 61.6696 62.9202 176.3170 18 F 5.0111 7.2575 118.2030 58.1451 37.6163 177.3076 19 V 3.8633 7.6734 118.8785 65.5311 31.4536 177.7712 20 K 4.2283 7.8544 116.9970 57.8412 33.1357 177.7187 21 V 4.3465 8.0072 123.6918 59.5113 32.2444 174.9436 22 P 5.7930 0.0000 0.0000 60.4569 30.4801 176.7066 *24 P 4.5106 0.0000 0.0000 62.0806 33.0074 176.8733 25 E 4.7639 7.7480 115.4348 53.1395 33.4721 173.2251 26 P 4.3310 0.0000 0.0000 61.8500 32.1205 174.5406 27 P 4.2975 0.0000 0.0000 63.1401 32.0914 177.3031 28 S 3.9498 8.6423 117.6948 61.9047 62.4183 176.7816 29 S 3.9410 8.0731 115.1638 61.8565 61.8869 176.3492 30 L 3.8225 7.7658 120.7694 57.1258 41.2859 179.4883 31 Q 3.7541 7.6783 117.9205 58.8582 28.5582 178.2751 32 Q 3.8520 7.8255 118.9387 58.9388 28.7137 178.6272 33 L 3.6138 7.0867 119.6357 58.1924 41.9611 178.9605 34 I 3.4587 7.4301 119.3566 64.4767 36.6228 178.1088 35 N 4.3064 8.5216 117.1891 56.4511 38.1930 177.2431 36 D 4.4453 8.6751 119.8432 57.3011 41.1395 178.5535 37 W 4.4833 8.3662 116.6881 56.5269 30.0660 175.6883 38 Q 3.5374 7.6069 118.3333 56.9101 27.0060 173.2444 39 L 4.6312 8.0414 117.0962 54.4679 43.1811 178.0739 40 I 4.6820 8.3011 123.6620 59.1362 40.1770 175.0198 41 K 4.2223 8.6926 126.6828 56.7958 32.7203 176.0483 42 H 4.5391 9.4243 127.6147 55.1378 30.7663 175.8783 43 R 3.8750 8.1480 125.1725 59.2683 30.0612 176.9644 44 E 4.4011 8.3947 115.0178 55.8460 29.9180 176.2178 45 G 4.4034 7.6807 106.5144 47.5423 0.0000 174.9037 46 G 3.7343 8.6870 108.6708 44.4846 0.0000 171.4858 47 Y 5.4663 8.6585 115.4147 56.3990 41.6912 175.5399 48 F 6.3000 9.4868 116.6691 56.0008 42.5269 172.6268 49 K 3.8791 8.2970 114.5624 55.7006 35.2466 173.3103 50 E 4.3953 8.9013 129.2077 56.4246 29.3480 175.9096 51 T 4.2591 8.8580 125.2980 65.4667 69.7866 175.2027 52 D 4.6614 7.6705 119.5685 52.7428 45.0817 174.3539 53 R 4.7820 8.3825 124.7873 54.3037 32.5433 174.2876 54 S 4.1238 8.6280 121.6811 58.5889 62.1906 173.1323 55 P 4.2299 0.0000 0.0000 64.6848 31.6043 176.2146 56 Y 4.4278 7.5511 117.5188 57.4175 38.9110 175.0171 57 T 5.6049 7.9974 113.8089 59.4817 71.2966 172.4426 *59 E 4.3019 8.4990 119.2741 56.9208 30.4832 175.5810 60 V 4.5197 9.0097 123.6615 61.0990 35.0757 174.0938 61 E 5.0313 8.6434 123.4234 54.6046 31.0692 175.6602 62 K 4.7685 8.8586 122.8350 54.0825 36.8682 174.1646 63 P 4.3935 0.0000 0.0000 62.8231 30.7802 175.7357 *71 T 4.2611 8.0363 112.9581 61.6195 70.9087 174.1696 72 E 4.5384 8.2473 121.9329 56.2257 30.1255 177.1443 *74 V 4.1299 8.1762 119.1577 62.5030 33.2289 173.7358 75 T 4.6647 8.4234 118.9219 61.2044 68.6892 173.6980 76 R 4.8006 8.2631 125.4142 54.1332 35.3055 173.8270 77 N 4.9221 8.5376 117.6536 53.2698 39.3920 176.0376 78 Q 4.2081 9.5501 124.5634 58.9155 29.9678 177.3202 79 S 4.9444 7.9001 110.7200 57.2627 67.3257 172.8222 80 T 5.1609 8.6728 116.0667 61.8634 72.7250 172.9059 81 L 5.3024 9.4516 128.0031 53.2948 45.7442 175.0885 82 I 5.1727 8.4848 117.6064 59.8568 42.1753 172.8996 83 Y 5.4449 8.7897 119.8397 56.4978 40.5125 174.4533 84 Y 5.6020 9.3771 125.2417 55.7947 42.2381 173.8577 85 L 5.1602 8.6474 127.8825 53.3648 45.6524 174.7874 86 L 5.1263 8.8810 126.5541 53.5147 44.2119 175.6591 87 T 5.0256 8.5877 112.2291 58.9797 72.3064 173.1523 88 P 3.8490 0.0000 0.0000 64.9634 31.4282 176.8665 89 D 4.6417 7.4405 116.2668 54.0418 40.3854 177.2422 90 S 4.6745 7.7496 113.8433 57.4826 64.0759 172.3930 91 P 4.6751 0.0000 0.0000 63.2404 33.2672 176.7667 92 I 5.0138 7.7448 121.7515 59.6295 41.1984 174.6551 93 G 4.1131 9.2072 114.3233 44.3849 0.0000 172.9242 94 K 4.5349 9.1100 127.2092 55.5115 33.1903 177.1994 95 F 5.0227 8.5940 121.9246 57.5730 39.4293 174.5657 96 H 5.6906 9.1089 118.1569 54.3524 32.4930 171.9975 97 K 4.7725 9.5912 119.9966 54.5938 35.9428 174.2892 98 N 5.4958 8.3324 122.8226 51.6646 41.5965 174.9367 99 I 3.7923 9.0305 126.2941 63.8429 38.2043 176.0434 100 N 4.8981 8.6498 118.2109 50.8722 40.6542 174.8181 101 R 4.4151 8.2528 116.8617 56.6121 30.8578 175.8825 102 I 4.5455 8.3133 120.8936 59.6009 41.1536 174.5440 103 I 4.2404 8.3468 128.4189 61.0616 38.4866 174.4992 104 H 4.7798 8.7808 124.7294 53.6078 31.3474 173.3278 105 I 4.5683 8.1774 123.9411 58.9500 39.9423 174.7248 106 L 4.4020 9.2253 131.1558 55.7628 41.9826 175.6136 107 Q 4.7551 8.9285 124.0564 57.3175 30.6605 176.0284 108 R 4.4832 8.4599 117.1365 56.0087 34.7201 175.1679 109 G 4.4176 10.3208 107.0661 45.4847 0.0000 172.6102 110 K 4.7736 8.3281 117.6356 55.7659 37.0239 175.2041 111 G 2.7675 7.7253 108.5844 45.4515 0.0000 171.7284 112 Q 4.5683 7.7865 120.6197 54.0261 32.5122 173.3447 113 Y 4.6684 7.9507 122.7855 55.9699 40.9788 174.7983 114 V 5.0277 8.5713 123.2537 60.9936 34.6218 174.1497 115 L 5.5086 9.4431 127.9948 54.0478 44.3428 175.3667 116 V 4.9276 8.7403 121.8141 61.4734 33.8835 174.8373 117 Y 4.5290 9.3626 126.3050 56.3287 38.9136 174.7614 118 P 4.4000 0.0000 0.0000 66.1026 31.2398 177.1899 119 D 4.4807 8.1274 115.1236 54.0016 39.2458 176.8796 120 G 4.4842 8.4845 109.9016 45.1609 0.0000 173.9968 121 Q 4.2289 7.8012 120.0957 56.3249 30.4258 175.1651 122 V 5.1467 8.3827 123.8592 61.0500 34.2413 174.5994 123 K 5.0717 9.6231 126.7055 55.3029 36.1952 175.0798 124 S 5.3699 8.9002 115.9826 56.8675 65.7528 173.0330 125 F 5.0449 8.2767 119.6462 55.4922 41.3975 173.6521 126 K 4.4575 8.7621 120.2723 55.9887 34.0956 175.6333 127 V 4.2772 8.5442 123.4441 60.8811 33.8468 175.0833 128 G 4.1929 7.9377 114.2295 46.6066 0.0000 172.8276 129 F 4.9374 8.8509 117.2150 58.4860 39.6599 176.9625 130 D 4.4865 8.9707 121.8238 57.2665 41.2961 178.5969 131 Y 4.5888 8.2873 116.5245 57.9306 38.5246 172.4944 132 K 3.6911 9.3560 117.4174 58.3944 32.1721 177.4110 133 N 4.7067 7.7898 113.3592 52.9267 38.4797 175.7549 134 G 3.9729 8.1296 105.6386 45.6352 0.0000 174.1338 135 E 4.4821 8.0372 119.2440 55.5880 30.7213 175.6122 136 V 4.7982 7.9848 121.4564 60.4012 33.9686 176.3392 137 S 4.7566 8.9112 117.4878 59.3037 64.8126 173.7806 138 Q 5.3681 8.1801 117.3447 54.0065 32.5626 174.7801 139 W 5.0067 8.6636 117.9480 55.4999 31.9636 173.2184 140 V 4.8196 8.5598 123.0136 61.2552 33.3377 174.7531 141 V 4.4980 8.2584 120.9492 58.8124 33.3804 173.7675 142 P 4.5384 0.0000 0.0000 62.5822 32.4471 176.3040 143 G 3.6407 8.0035 109.3382 47.0960 0.0000 174.0936 144 G 3.8515 9.2903 110.2323 44.9041 0.0000 173.3115 145 V 4.0665 6.7926 118.7862 60.6476 32.9064 175.5979 146 F 4.6473 8.5123 127.3028 57.5220 40.0356 174.5497 147 K 5.4594 9.6790 121.9640 55.4611 36.3949 174.9370 148 A 5.0662 9.0313 122.7706 51.1299 23.4383 174.8305 149 S 4.7844 8.3521 111.6812 57.3690 66.5407 173.9386 150 F 5.4675 8.1294 116.6695 54.7629 41.3876 173.7383 151 L 4.1249 8.7051 123.3957 55.1218 42.4883 175.9869 152 L 5.1015 7.7027 126.0026 51.9812 43.9838 174.7265 153 P 4.9931 0.0000 0.0000 63.5238 32.0692 175.3000 154 N 4.7352 8.9234 116.6221 52.5198 40.3572 175.5445 155 E 4.1089 9.0074 122.0772 59.0681 30.0512 178.6585 156 E 4.1878 8.2889 115.6071 58.8293 29.7274 177.3341 157 F 4.9176 8.1071 122.5636 58.4944 40.0467 173.1679 158 D 4.3625 8.6582 114.7954 55.6284 38.8150 173.5171 159 N 4.2811 8.3980 108.1052 54.7658 37.4817 175.0177 160 G 4.3580 8.0468 103.3195 44.5019 0.0000 173.4416 161 F 5.3618 9.1474 122.8363 56.3906 42.5176 173.0939 162 L 5.1497 9.2217 129.6298 53.1792 44.6475 175.3175 163 I 5.1110 8.7302 118.6666 59.6441 42.0740 173.7619 164 S 5.2558 9.0064 116.7715 56.8427 66.8825 173.4834 165 E 4.9947 8.7257 121.5795 54.5135 33.3539 175.2898 166 V 4.7159 8.3862 121.8279 61.2767 34.9994 174.0969 167 V 4.8236 8.7394 128.3820 60.9890 34.0491 174.6776 168 V 4.9189 8.1513 126.2523 59.2789 33.9497 173.4884 169 P 4.7005 0.0000 0.0000 61.5730 32.0367 176.2535 170 G 3.9529 9.0405 110.2706 46.4038 0.0000 173.3165 171 F 4.1546 8.0788 123.8373 58.6751 40.0822 174.4075 172 D 3.9609 6.3341 123.2168 52.4720 44.0440 176.0241 173 F 4.2109 8.1490 124.7180 60.7412 39.1527 177.4744 174 E 3.9981 8.9332 119.5108 58.9413 29.5898 177.2521 175 D 4.6513 8.0737 117.9186 54.3816 40.8547 174.7508 176 H 5.5351 7.5392 119.5207 54.7723 32.8220 173.0478 177 T 4.3494 8.4076 113.0134 60.6072 72.1164 172.6429 178 F 5.4618 7.3025 119.9071 54.8215 40.7007 175.1270 179 L 4.0145 8.9752 122.6102 54.7997 41.8212 176.7620 180 K 4.1568 9.2810 127.6534 58.2763 32.8342 178.8967 181 G 4.0935 7.1983 105.8143 44.1442 0.0000 172.6194 182 E 4.0216 8.7540 118.3401 59.0321 29.2121 179.2973 183 D 4.3254 7.9658 118.1731 57.3397 40.6992 177.6105 184 E 4.0999 8.1350 119.8515 58.8478 29.5385 178.6875 185 L 3.8295 7.6776 118.7494 57.6607 41.7860 179.3792 186 K 4.0162 8.2615 118.6026 59.4770 31.7253 177.9762 187 H 4.4821 7.5697 115.8644 55.9012 30.7381 175.1955 188 L 4.3930 7.5921 117.6862 55.6098 44.6832 175.5416 189 V 4.2068 8.0147 116.9342 61.5884 33.3052 176.0704 190 G 4.0030 8.3526 106.7199 45.4371 0.0000 172.2503 191 P 4.2120 0.0000 0.0000 66.0360 31.0599 178.4773 192 E 4.1079 8.0880 116.4757 58.4303 30.0823 178.5047 193 K 3.9978 8.0399 119.9383 59.1625 32.0794 178.4905 194 A 4.0146 8.0914 120.4659 54.8351 18.4554 179.1364 195 A 4.1037 7.7338 119.1890 55.4547 18.2998 179.5126 196 E 4.0312 7.9777 116.0298 58.7563 30.0821 177.9841 197 L 4.5020 7.6784 116.6460 54.4344 41.9527 178.0742 198 A 4.0436 7.8718 123.8618 55.2323 18.1637 180.3138 199 F 4.2114 8.4222 110.3562 59.2729 38.0799 175.7504 200 L 3.7717 6.9753 119.8732 54.1267 41.4474 175.2639 201 A 4.9532 7.5012 121.3102 50.1961 22.1493 175.1887 202 H 4.5813 8.5665 118.1588 56.3237 30.5269 176.4980 *203 H 4.5330 8.5905 116.1126 55.2082 28.4989 169.8043 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 9 A 8.12 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 9.38 3.99 0.00 3.04 2.88 0.00 0.00 7.20 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.08 3.51 1.45 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 0.00 0.00 12 A 8.29 4.09 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 13 I 8.20 4.54 1.98 0.00 0.00 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 1.69 0.82 1.01 0.00 0.00 14 E 8.29 4.57 0.00 1.90 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 2.20 2.32 0.00 15 P 0.00 4.08 0.00 1.52 1.45 0.00 3.32 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.14 0.00 16 A 8.29 4.24 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.09 4.02 0.00 3.95 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 18 F 7.26 5.01 0.00 3.16 3.35 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 19 V 7.67 3.86 2.30 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 0.78 0.00 0.00 1.37 0.00 0.00 20 K 7.85 4.23 0.00 1.80 1.72 0.00 1.58 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.09 1.45 7.81 21 V 8.01 4.35 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 1.03 0.00 0.00 0.91 0.00 0.00 22 P 0.00 5.79 0.00 2.23 1.86 0.00 3.53 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 *24 P 0.00 4.51 0.00 2.23 2.27 0.00 3.73 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 1.89 2.00 0.00 25 E 7.75 4.76 0.00 1.90 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 2.21 2.22 0.00 26 P 0.00 4.33 0.00 2.00 2.16 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 27 P 0.00 4.30 0.00 2.14 2.17 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 28 S 8.64 3.95 0.00 3.82 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 29 S 8.07 3.94 0.00 3.73 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 30 L 7.77 3.82 0.00 1.62 1.39 0.73 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.68 3.75 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 32 Q 7.83 3.85 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 33 L 7.09 3.61 0.00 1.32 1.40 -1.23 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.43 3.46 1.75 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.38 0.74 0.00 0.00 35 N 8.52 4.31 0.00 2.75 2.84 0.00 0.00 7.13 8.15 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 36 D 8.68 4.45 0.00 2.58 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 37 W 8.37 4.48 0.00 3.24 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 38 Q 7.61 3.54 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 39 L 8.04 4.63 0.00 1.65 1.84 0.91 0.89 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 40 I 8.30 4.68 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.89 1.04 0.00 0.00 41 K 8.69 4.22 0.00 1.73 1.70 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 0.99 7.81 42 H 9.42 4.54 0.00 3.27 3.40 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.15 3.88 0.00 1.73 1.86 0.00 3.45 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 44 E 8.39 4.40 0.00 2.05 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 2.52 2.34 0.00 45 G 7.68 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.69 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 0.00 0.00 0.00 47 Y 8.66 5.47 0.00 2.93 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 48 F 9.49 6.30 0.00 3.42 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 49 K 8.30 3.88 0.00 1.82 1.77 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.19 7.81 50 E 8.90 4.40 0.00 2.09 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 2.28 2.35 0.00 51 T 8.86 4.26 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 0.98 0.00 0.00 52 D 7.67 4.66 0.00 2.59 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 53 R 8.38 4.78 0.00 1.79 1.75 0.00 3.32 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 54 S 8.63 4.12 0.00 3.99 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 55 P 0.00 4.23 0.00 1.39 1.83 0.00 3.46 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 56 Y 7.55 4.43 0.00 3.08 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 57 T 8.00 5.60 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 1.20 0.00 0.00 *59 E 8.50 4.30 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 60 V 9.01 4.52 2.05 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 77 N 8.54 4.92 0.00 2.72 2.87 0.00 0.00 6.77 7.74 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 78 Q 9.55 4.21 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 79 S 7.90 4.94 0.00 3.81 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 80 T 8.67 5.16 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 1.25 0.00 0.00 81 L 9.45 5.30 0.00 1.60 1.50 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.48 5.17 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.57 0.95 0.00 0.00 83 Y 8.79 5.44 0.00 3.14 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 84 Y 9.38 5.60 0.00 3.10 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 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0.00 4.40 0.00 2.22 2.23 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 119 D 8.13 4.48 0.00 2.83 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.48 4.48 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 0.00 121 Q 7.80 4.23 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 122 V 8.38 5.15 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 1.01 0.00 0.00 1.01 0.00 0.00 123 K 9.62 5.07 0.00 1.99 1.98 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.75 1.73 7.81 124 S 8.90 5.37 0.00 3.97 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 0.00 125 F 8.28 5.04 0.00 3.13 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 0.00 126 K 8.76 4.46 0.00 1.71 1.66 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.04 4.48 0.00 2.24 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 2.40 2.33 0.00 136 V 7.98 4.80 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 0.67 0.00 0.00 1.05 0.00 0.00 137 S 8.91 4.76 0.00 3.97 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 0.00 138 Q 8.18 5.37 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 139 W 8.66 5.01 0.00 3.20 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 0.00 140 V 8.56 4.82 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 0.84 0.00 0.00 0.90 0.00 0.00 141 V 8.26 4.50 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 0.96 0.00 0.00 0.97 0.00 0.00 142 P 0.00 4.54 0.00 2.11 2.03 0.00 3.64 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 143 G 8.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 9.29 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 0.00 0.00 0.00 145 V 6.79 4.07 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 0.08 0.00 0.00 0.72 0.00 0.00 146 F 8.51 4.65 0.00 3.15 2.77 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 0.00 147 K 9.68 5.46 0.00 2.02 2.00 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.26 1.46 7.81 148 A 9.03 5.07 0.21 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 0.00 149 S 8.35 4.78 0.00 3.20 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 0.00 150 F 8.13 5.47 0.00 3.09 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 0.00 151 L 8.71 4.12 0.00 1.63 1.50 0.30 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.70 5.10 0.00 1.39 1.54 0.81 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.99 0.00 2.11 2.06 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 154 N 8.92 4.74 0.00 2.95 2.98 0.00 0.00 6.91 6.95 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 0.00 155 E 9.01 4.11 0.00 2.11 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 2.43 2.33 0.00 156 E 8.29 4.19 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 157 F 8.11 4.92 0.00 3.04 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.66 4.36 0.00 2.49 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 0.00 159 N 8.40 4.28 0.00 2.85 2.93 0.00 0.00 6.60 7.85 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 0.00 160 G 8.05 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 0.00 161 F 9.15 5.36 0.00 3.10 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 0.00 162 L 9.22 5.15 0.00 1.51 1.09 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 163 I 8.73 5.11 2.01 0.00 0.00 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 1.49 0.93 0.59 0.00 0.00 164 S 9.01 5.26 0.00 3.71 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.73 4.99 0.00 1.83 1.63 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 1.90 2.18 0.00 166 V 8.39 4.72 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 0.88 0.00 0.00 0.84 0.00 0.00 167 V 8.74 4.82 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 1.02 0.00 0.00 0.93 0.00 0.00 168 V 8.15 4.92 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 169 P 0.00 4.70 0.00 1.92 2.01 0.00 3.84 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 170 G 9.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 F 8.08 4.15 0.00 2.92 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 0.00 172 D 6.33 3.96 0.00 2.39 2.39 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 0.00 173 F 8.15 4.21 0.00 3.21 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 0.00 174 E 8.93 4.00 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 175 D 8.07 4.65 0.00 2.48 2.56 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 0.00 176 H 7.54 5.54 0.00 3.31 3.46 0.00 5.99 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.41 4.35 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 1.12 0.00 0.00 178 F 7.30 5.46 0.00 3.30 3.43 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 0.00 0.00 0.00 0.00 179 L 8.98 4.01 0.00 1.31 1.67 -0.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 180 K 9.28 4.16 0.00 1.94 1.83 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.56 7.81 181 G 7.20 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 0.00 182 E 8.75 4.02 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 183 D 7.97 4.33 0.00 2.69 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 0.00 184 E 8.13 4.10 0.00 2.03 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 2.13 2.31 0.00 185 L 7.68 3.83 0.00 1.70 1.65 1.07 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.26 4.02 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.58 7.81 187 H 7.57 4.48 0.00 3.19 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 7.59 4.39 0.00 1.90 1.83 0.86 0.73 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 0.00 189 V 8.01 4.21 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 0.80 0.00 0.00 0.87 0.00 0.00 190 G 8.35 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 0.00 191 P 0.00 4.21 0.00 2.27 2.35 0.00 3.69 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 2.08 2.05 0.00 192 E 8.09 4.11 0.00 2.23 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 2.35 2.37 0.00 193 K 8.04 4.00 0.00 1.91 2.00 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.60 7.81 194 A 8.09 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 7.73 4.10 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 0.00 196 E 7.98 4.03 0.00 2.06 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 2.43 2.41 0.00 197 L 7.68 4.50 0.00 1.85 1.85 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 198 A 7.87 4.04 1.49 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 0.00 0.00 0.00 199 F 8.42 4.21 0.00 3.09 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 L 6.98 3.77 0.00 1.11 0.59 0.53 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.50 4.95 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 0.00 202 H 8.57 4.58 0.00 3.29 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *203 H 8.59 4.53 0.00 2.89 2.78 0.00 7.23 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.