NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4827 8.3644 120.3126 52.4919 40.5490 174.2930 3 V 3.1138 7.9536 119.7102 62.8845 32.1865 173.1002 4 S 4.7559 8.4059 123.3588 56.8073 66.0376 172.5463 5 F 5.0887 9.3841 125.0149 55.7852 42.7143 173.7171 6 E 5.3218 9.0107 121.5332 54.7184 33.0541 175.3282 7 F 5.0053 8.3390 116.5061 56.8597 42.2097 174.1187 8 E 3.9543 8.6085 123.1303 58.4106 28.6206 175.0915 9 H 4.8397 8.2332 121.0620 56.5149 29.2382 171.8239 10 Y 5.0407 7.8136 115.7775 57.0736 41.7224 174.6079 11 Q 4.7477 8.7590 121.9235 54.3682 32.7071 173.8819 12 V 4.9987 9.2690 126.9666 61.2799 33.7950 174.5953 13 R 5.2421 8.9309 123.1164 54.7376 33.3854 174.2153 14 L 4.2411 7.7133 120.6580 54.4745 42.0486 177.4677 15 I 4.0377 8.6863 124.1899 61.2257 38.9033 175.0760 16 K 4.7393 9.5200 126.7965 53.9825 35.5878 177.5804 17 S 4.1736 8.5850 114.7673 61.5847 62.8670 176.4085 18 S 4.3053 7.9546 113.1324 59.8290 63.0216 174.6382 19 D 4.5876 8.1101 121.1255 54.5202 40.6429 177.4988 20 A 4.0313 7.6734 124.0212 55.3896 18.3761 180.4026 21 V 3.5227 7.6666 116.1460 66.3516 31.7293 178.1161 22 T 3.8350 7.7597 109.1175 64.8759 68.5603 176.0170 23 I 3.2628 7.7076 121.3048 63.3721 37.6521 177.6999 24 A 3.9165 7.3487 120.4047 55.1863 18.2957 178.9571 25 N 4.4347 8.3429 114.3039 56.5554 38.9829 176.6053 26 Y 4.2017 8.0731 120.9375 60.6155 38.3243 179.4080 27 F 4.3208 7.7681 117.3141 57.8088 38.7991 177.3698 *29 R 4.2403 7.9504 120.4458 56.0330 31.6077 175.7123 30 N 4.9062 7.7152 112.4765 52.8786 39.1868 176.2070 31 R 4.1149 7.8437 120.5342 60.1143 30.1811 178.5900 32 H 4.3020 8.1484 112.7478 59.1088 29.0290 176.3004 33 H 4.4317 8.4558 117.6915 58.9592 30.0157 175.8823 34 L 4.4875 8.3994 118.1019 55.8469 42.1787 178.5949 35 A 4.0492 8.0176 122.8928 54.6622 18.2837 177.3247 36 P 4.1162 0.0000 0.0000 63.5613 31.6747 176.5562 37 W 4.7556 7.8956 117.8720 56.6672 30.2877 175.4675 38 E 4.8488 7.5207 116.7435 53.3276 32.5995 173.9329 39 P 4.4035 0.0000 0.0000 62.0095 32.0116 176.3582 40 K 3.7197 8.3863 120.7699 57.3788 32.3604 176.0433 41 R 4.3085 8.2613 124.3915 54.1601 31.9704 176.3930 42 S 4.4750 8.0593 116.1251 57.8984 64.3842 174.6927 43 H 4.4498 8.9221 119.6940 59.4721 29.5818 176.9818 44 A 3.9894 7.6090 120.0557 54.9536 17.8804 179.2024 45 F 3.8925 7.8031 118.2419 60.1940 39.3783 175.6198 46 F 4.9177 8.0635 115.2011 57.3767 39.6789 175.7757 47 T 4.8048 7.4911 111.9359 59.2762 72.4068 173.2952 48 P 4.5626 0.0000 0.0000 65.6350 30.9514 178.9426 49 E 4.1308 8.2975 116.5047 59.1449 29.6448 179.2826 50 G 4.0885 8.2292 108.1469 47.0979 0.0000 175.8349 51 W 3.9595 8.4332 124.0029 59.4294 29.0769 179.3586 52 K 3.9974 8.2259 124.1591 59.9848 31.2201 183.0296 53 Q 4.1270 7.7140 118.6323 58.8010 28.6246 178.6307 54 R 3.7236 7.7021 119.6866 59.4181 29.8803 178.5661 55 L 4.0219 8.2884 119.1279 57.4522 41.6606 179.1668 56 L 3.9790 7.7947 118.7675 58.1782 41.6181 179.7326 57 Q 4.0082 7.9250 117.3273 58.9276 28.5827 178.8540 58 L 4.0910 8.2436 120.4040 57.5154 41.5642 179.6105 59 V 3.5942 8.2192 118.7747 65.9786 31.3275 177.6701 60 E 3.9354 8.1026 118.8340 59.3529 29.4717 178.7616 61 L 4.0010 8.3817 119.4204 58.1118 41.6052 179.0595 62 H 4.1583 8.7451 122.4245 58.9432 29.5387 177.8025 63 K 3.8338 7.9802 124.9896 60.2106 31.5401 179.9754 64 H 4.8140 7.6570 113.9990 54.6401 28.8244 174.9597 65 N 4.2697 8.0881 117.3297 54.5065 36.4868 175.1393 66 L 4.4883 8.0998 118.4706 55.5776 42.9801 176.6852 67 A 4.8514 6.8574 118.3369 50.9664 22.9201 175.7302 68 F 4.7293 9.4039 118.7484 56.4559 43.0155 173.3159 69 Y 4.8851 8.6843 126.5299 56.0401 40.4320 174.0811 70 F 5.3192 9.1880 126.6678 56.2962 41.4806 175.6111 71 V 4.7515 9.0713 116.0641 59.6461 34.8713 174.8632 72 V 4.6260 8.4311 124.3903 61.4469 33.2837 174.4834 73 V 4.5187 8.9583 129.2661 61.3158 33.7373 174.3786 74 D 4.9025 8.9364 128.5347 53.2462 40.7326 176.7206 75 K 3.8631 8.4305 126.8555 59.2187 32.0410 178.8165 76 N 4.3229 8.3847 117.3171 55.3854 38.4957 175.6753 77 E 4.3827 7.9594 114.3495 55.4445 31.2956 175.0373 78 H 4.0890 8.0833 115.7297 56.3296 26.8430 174.1026 79 K 4.7222 7.2774 115.8718 55.2616 36.8172 176.0483 80 I 4.4033 8.1787 122.4575 60.7975 37.8741 175.7031 81 I 4.3181 8.2140 118.6579 59.7488 39.2411 174.7599 82 G 4.2250 6.6331 108.4811 45.9775 0.0000 172.5519 83 T 5.1351 8.3516 109.8619 59.7823 72.8169 173.2574 84 V 4.6641 9.0043 123.3461 61.4629 34.7984 173.7665 85 S 4.9697 9.4493 124.4361 56.6062 65.1132 172.0368 86 Y 5.2483 9.4199 125.7083 56.5973 40.0718 175.0837 87 S 4.8257 9.2511 118.8964 56.2424 67.5629 172.8176 88 N 4.1585 8.5573 114.6679 54.6605 36.9392 173.5098 89 I 4.5376 7.6387 117.3969 61.4163 38.7368 177.1740 90 T 4.7550 9.0702 123.5590 60.9515 71.9374 172.8633 91 R 4.8255 8.5835 127.4472 55.2505 31.9696 177.8029 92 F 4.1367 9.1454 130.1763 59.5855 39.3431 172.7077 93 P 3.7236 0.0000 0.0000 62.1685 31.4147 175.6427 94 F 4.3418 7.9650 118.0468 58.3811 40.9475 175.7018 95 H 4.2628 8.5049 116.7482 56.9767 26.6604 173.2712 96 A 5.4263 8.2186 119.6004 50.5977 23.4223 176.7121 97 G 4.6464 9.0296 105.1979 43.2977 0.0000 171.0971 98 H 5.2717 9.6316 121.1612 54.3349 32.0281 173.8317 99 V 4.6734 8.2468 124.3994 59.8334 33.5271 175.1282 100 G 4.2372 8.8934 110.7704 44.6708 0.0000 170.8518 101 Y 5.5063 7.5142 119.7646 55.5823 41.6003 173.9245 102 S 4.9565 9.0940 113.6251 57.2029 67.0355 172.5598 103 L 5.3164 8.4511 121.6150 53.0774 45.4291 175.3483 104 D 4.8439 9.2966 125.7203 54.5125 41.7719 177.6134 105 S 4.0517 9.1247 119.9608 60.6742 63.0872 174.8101 106 E 4.4537 8.8821 119.4707 56.7269 29.5051 175.8591 107 Y 4.6164 7.9379 115.8260 57.6423 38.6982 175.9909 108 Q 4.1311 8.0962 118.7456 57.0269 29.3278 175.8654 109 G 3.8829 8.7337 107.1623 46.9162 0.0000 174.3148 110 K 4.3986 7.8610 115.8232 55.1147 33.4706 177.4503 111 G 3.8226 8.2071 106.4573 46.4009 0.0000 175.6929 112 I 3.6834 6.9878 117.7668 61.9848 36.6509 178.0069 *114 R 3.9775 8.0723 121.5993 56.5116 31.7057 177.8509 115 R 3.5174 7.5480 116.0230 59.0227 29.7519 178.9485 116 A 3.9141 7.9275 120.8909 55.1276 18.2690 179.9328 117 V 3.4132 7.3470 116.2279 65.8376 31.7061 177.5319 118 N 4.1558 7.9400 116.7857 56.9483 38.9345 177.3454 119 V 3.3393 7.6153 113.9340 64.1788 31.2283 178.6515 120 T 3.4745 6.9661 109.0775 64.2266 68.7961 176.7675 121 I 3.4959 7.6882 122.2851 64.0380 37.3224 177.2750 122 D 4.5093 7.8169 118.8042 57.0713 40.9748 178.9614 123 W 4.5094 7.6663 126.9221 57.6859 30.6232 177.8092 *125 F 5.0333 8.0185 116.4100 57.2433 40.3981 177.7045 126 K 3.9324 8.3602 118.0475 59.0220 32.1813 178.4362 127 A 3.9507 7.7499 120.4466 53.7220 18.0544 178.0051 128 Q 4.0980 7.2322 112.3185 54.8515 29.6746 175.2287 129 N 4.5089 7.7187 115.4558 54.2800 37.9469 174.1249 130 L 4.4246 7.3551 115.8487 54.8743 42.5550 176.9822 131 H 4.4215 9.3033 122.4374 58.1667 31.3512 175.0773 132 R 5.0903 7.9390 117.7217 54.9697 33.7396 174.1469 133 I 5.4554 9.0726 125.8688 58.5464 41.3075 173.9934 *135 A 4.4454 8.2943 122.6221 52.2826 20.0776 175.6777 136 A 5.7416 8.7167 120.0946 49.6459 22.3100 175.2261 137 Y 4.9686 7.9127 118.5451 55.0274 42.2458 174.7045 138 I 4.2579 8.3665 121.4845 60.1501 37.9973 175.3616 139 P 4.4354 0.0000 0.0000 65.8249 31.2330 177.5715 140 R 4.2773 8.0476 111.3337 57.2788 30.1392 177.4640 141 N 4.3880 8.5592 119.8887 52.5138 36.3808 174.5513 142 E 3.9137 8.0887 124.6598 58.7385 30.0699 178.3294 143 K 3.7582 7.8812 118.0134 59.6105 32.1396 179.1052 144 S 3.9459 7.9065 112.5088 61.1488 62.2450 175.7521 145 A 3.0324 7.3187 123.3958 54.9077 17.9305 179.8313 146 K 3.7893 8.0055 116.8592 59.4418 32.0322 179.4823 147 V 3.4127 7.4418 118.4665 66.1700 31.3627 178.0257 148 L 3.6979 7.6751 118.0527 57.5511 41.4475 179.3406 149 A 4.0087 8.1131 120.5276 55.3334 18.1599 179.5360 150 A 3.9980 8.0810 118.0190 54.7910 18.3995 178.7890 151 L 4.4989 7.4590 114.9767 54.1224 41.9027 177.1940 152 G 3.9453 8.0087 106.6334 46.2065 0.0000 174.0477 153 F 4.3471 8.4314 118.3721 57.1750 39.7500 174.9966 154 V 4.4305 9.0914 126.1250 61.4023 33.4513 175.7237 155 K 4.5703 8.8801 131.7202 55.9129 31.5180 173.2958 156 E 4.3962 10.2116 124.7248 54.3712 31.2612 177.9577 157 G 3.9621 7.0924 106.4084 45.9136 0.0000 170.2303 158 E 4.9033 8.2472 122.6605 54.7408 33.1235 175.2677 159 A 4.6337 8.7999 129.3649 50.0167 20.7623 176.2907 160 K 4.4269 8.7312 122.0698 56.8735 33.1099 177.3698 161 K 4.0276 8.9359 121.4616 57.9568 30.2855 175.7166 162 Y 4.4283 8.8640 121.1791 59.5934 39.6827 175.0066 163 L 4.8629 7.9721 120.2626 53.0929 45.1287 174.2836 164 Y 4.0761 8.2352 126.3691 56.4935 39.0293 174.6465 165 I 4.2675 7.8672 128.4910 60.4505 40.4499 175.2596 166 N 4.0586 9.6277 124.0704 54.6458 37.1531 174.4276 167 G 3.5077 8.9410 100.5358 44.9387 0.0000 173.4095 168 A 4.4342 6.5070 119.1386 49.6754 23.0541 176.4352 169 W 4.7974 8.7893 120.8626 56.7021 30.1714 175.5288 170 E 4.8287 9.4223 124.8738 54.2817 31.2204 175.4519 171 D 5.1268 8.9324 123.8476 55.3500 42.3960 175.0987 172 H 5.0879 9.3056 118.7840 53.8572 33.1092 172.9432 173 I 4.0777 8.1544 124.0270 61.1501 38.2656 174.8301 174 L 5.1027 8.7052 127.4453 53.5324 43.3726 175.8140 175 T 5.4210 8.9780 113.5182 60.5065 72.4226 172.9673 176 S 5.1460 9.1689 116.0281 57.3199 67.2333 172.5639 177 K 4.6008 8.7845 121.6816 54.5625 34.9099 174.5953 178 I 4.5620 8.2668 127.3901 59.5600 39.5239 174.9261 179 N 3.9215 8.5122 126.4976 51.9398 38.4143 175.2620 180 D 4.3874 8.6203 127.3110 57.0248 41.1168 177.4765 181 D 4.6762 8.0723 116.6128 53.3134 41.1235 176.2760 182 W 4.3281 7.6382 131.5681 58.5400 30.9993 175.7456 183 K 4.0018 7.9186 126.8930 51.3721 33.0375 172.7828 184 P 3.4201 0.0000 0.0000 61.6861 31.0317 176.1746 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 2 D 8.36 4.48 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.95 3.11 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 -0.17 0.00 0.00 0.85 0.00 0.00 4 S 8.41 4.76 0.00 3.72 3.47 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 5 F 9.38 5.09 0.00 2.96 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 6 E 9.01 5.32 0.00 1.83 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 2.18 2.26 0.00 7 F 8.34 5.01 0.00 3.24 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 8 E 8.61 3.95 0.00 2.30 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 2.38 2.61 0.00 9 H 8.23 4.84 0.00 2.99 3.26 0.00 5.40 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.81 5.04 0.00 1.73 2.42 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 11 Q 8.76 4.75 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 12 V 9.27 5.00 2.33 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 1.03 0.00 0.00 1.11 0.00 0.00 13 R 8.93 5.24 0.00 1.88 1.96 0.00 2.80 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 14 L 7.71 4.24 0.00 1.49 1.46 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.69 4.04 2.05 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 1.00 0.00 0.00 16 K 9.52 4.74 0.00 1.74 1.64 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.45 7.81 17 S 8.58 4.17 0.00 4.01 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 0.00 18 S 7.95 4.31 0.00 3.98 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 19 D 8.11 4.59 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.67 4.03 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 21 V 7.67 3.52 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 1.03 0.00 0.00 0.94 0.00 0.00 22 T 7.76 3.84 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 1.17 0.00 0.00 23 I 7.71 3.26 1.38 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.02 0.19 0.00 0.00 24 A 7.35 3.92 1.53 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 25 N 8.34 4.43 0.00 2.80 2.91 0.00 0.00 7.02 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.07 4.20 0.00 2.93 2.74 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 27 F 7.77 4.32 0.00 2.99 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 *29 R 7.95 4.24 0.00 2.07 2.04 0.00 3.24 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 30 N 7.72 4.91 0.00 2.57 2.75 0.00 0.00 6.63 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 31 R 7.84 4.11 0.00 1.90 1.77 0.00 2.21 0.00 0.00 2.67 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 32 H 8.15 4.30 0.00 3.24 3.35 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.46 4.43 0.00 3.15 3.53 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.40 4.49 0.00 1.97 1.90 1.20 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.02 4.05 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 36 P 0.00 4.12 0.00 1.44 1.87 0.00 3.83 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 1.45 1.80 0.00 37 W 7.90 4.76 0.00 3.33 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 38 E 7.52 4.85 0.00 1.97 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 2.38 2.50 0.00 39 P 0.00 4.40 0.00 1.93 1.91 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 40 K 8.39 3.72 0.00 1.67 1.71 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 41 R 8.26 4.31 0.00 2.06 1.47 0.00 2.21 0.00 0.00 2.77 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 42 S 8.06 4.47 0.00 4.01 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 43 H 8.92 4.45 0.00 3.34 3.43 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.61 3.99 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 45 F 7.80 3.89 0.00 2.63 2.67 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 46 F 8.06 4.92 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 47 T 7.49 4.80 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 1.20 0.00 0.00 48 P 0.00 4.56 0.00 2.22 2.18 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 49 E 8.30 4.13 0.00 2.17 2.23 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 2.38 2.34 0.00 50 G 8.23 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 51 W 8.43 3.96 0.00 3.52 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 52 K 8.23 4.00 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 53 Q 7.71 4.13 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 54 R 7.70 3.72 0.00 1.39 1.48 0.00 3.04 0.00 0.00 2.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.21 0.00 55 L 8.29 4.02 0.00 1.97 1.73 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.79 3.98 0.00 1.87 1.72 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.92 4.01 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 58 L 8.24 4.09 0.00 1.81 1.74 0.83 1.20 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 59 V 8.22 3.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 60 E 8.10 3.94 0.00 2.27 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 0.00 2.33 2.45 0.00 61 L 8.38 4.00 0.00 1.95 1.66 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.75 4.16 0.00 3.03 3.50 0.00 5.65 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 63 K 7.98 3.83 0.00 1.89 1.74 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.38 7.81 64 H 7.66 4.81 0.00 3.06 3.38 0.00 5.97 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.09 4.27 0.00 2.97 3.31 0.00 0.00 6.84 7.43 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 66 L 8.10 4.49 0.00 1.79 1.72 0.90 0.64 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 67 A 6.86 4.85 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 68 F 9.40 4.73 0.00 3.46 3.04 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 69 Y 8.68 4.89 0.00 3.23 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 70 F 9.19 5.32 0.00 3.24 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 9.07 4.75 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 0.81 0.00 0.00 1.00 0.00 0.00 72 V 8.43 4.63 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 0.88 0.00 0.00 0.85 0.00 0.00 73 V 8.96 4.52 2.03 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 0.86 0.00 0.00 0.87 0.00 0.00 74 D 8.94 4.90 0.00 2.81 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 75 K 8.43 3.86 0.00 1.72 1.77 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 76 N 8.38 4.32 0.00 2.81 2.75 0.00 0.00 6.87 6.94 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 77 E 7.96 4.38 0.00 1.97 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 2.35 2.36 0.00 78 H 8.08 4.09 0.00 3.24 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.28 4.72 0.00 1.75 1.84 0.00 1.53 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 80 I 8.18 4.40 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.40 0.31 0.00 0.00 81 I 8.21 4.32 0.84 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.12 0.46 0.00 0.00 82 G 6.63 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 83 T 8.35 5.14 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 1.19 0.00 0.00 84 V 9.00 4.66 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 0.91 0.00 0.00 0.88 0.00 0.00 85 S 9.45 4.97 0.00 3.25 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 86 Y 9.42 5.25 0.00 3.48 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 87 S 9.25 4.83 0.00 3.90 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 88 N 8.56 4.16 0.00 2.90 2.86 0.00 0.00 6.92 7.82 0.00 0.00 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0.00 3.89 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 0.00 106 E 8.88 4.45 0.00 2.23 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 2.45 0.00 107 Y 7.94 4.62 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 0.00 108 Q 8.10 4.13 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 109 G 8.73 3.88 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 0.00 0.00 0.00 110 K 7.86 4.40 0.00 1.93 1.83 0.00 1.89 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.56 7.81 111 G 8.21 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 0.00 112 I 6.99 3.68 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.56 0.65 0.00 0.00 *114 R 8.07 3.98 0.00 1.70 1.90 0.00 3.08 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 7.67 4.51 0.00 3.53 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 F 8.02 5.03 0.00 3.26 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 0.00 126 K 8.36 3.93 0.00 1.72 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.62 7.81 127 A 7.75 3.95 0.20 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 0.00 128 Q 7.23 4.10 0.00 1.65 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.36 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 129 N 7.72 4.51 0.00 2.70 2.88 0.00 0.00 7.17 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 0.00 130 L 7.36 4.42 0.00 2.19 1.85 1.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.30 4.42 0.00 2.18 3.13 0.00 5.56 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 0.00 132 R 7.94 5.09 0.00 1.82 1.75 0.00 3.20 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 133 I 9.07 5.46 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.59 1.31 0.00 0.00 *135 A 8.29 4.45 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.72 5.74 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 0.00 137 Y 7.91 4.97 0.00 2.99 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 0.00 138 I 8.37 4.26 2.22 0.00 0.00 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 1.34 0.88 1.07 0.00 0.00 139 P 0.00 4.44 0.00 2.09 2.17 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 140 R 8.05 4.28 0.00 2.06 2.16 0.00 3.09 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 141 N 8.56 4.39 0.00 2.68 2.89 0.00 0.00 7.12 7.30 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 0.00 142 E 8.09 3.91 0.00 1.99 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 0.00 2.43 2.36 0.00 143 K 7.88 3.76 0.00 1.60 1.75 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.40 7.81 144 S 7.91 3.95 0.00 3.82 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 0.00 145 A 7.32 3.03 1.11 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 0.00 0.00 146 K 8.01 3.79 0.00 1.84 1.78 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.57 7.81 147 V 7.44 3.41 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 0.58 0.00 0.00 0.77 0.00 0.00 148 L 7.68 3.70 0.00 1.68 1.55 0.87 -0.23 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 0.00 149 A 8.11 4.01 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 0.00 150 A 8.08 4.00 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 0.00 151 L 7.46 4.50 0.00 1.80 1.96 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.01 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 0.00 153 F 8.43 4.35 0.00 3.00 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 0.00 154 V 9.09 4.43 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 155 K 8.88 4.57 0.00 1.58 1.60 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.05 7.81 156 E 10.21 4.40 0.00 1.90 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 2.28 2.47 0.00 157 G 7.09 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 0.00 158 E 8.25 4.90 0.00 1.86 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 2.15 2.41 0.00 159 A 8.80 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.73 4.43 0.00 1.66 1.86 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.42 7.81 161 K 8.94 4.03 0.00 1.76 1.79 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.40 7.81 162 Y 8.86 4.43 0.00 3.02 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 0.00 163 L 7.97 4.86 0.00 1.71 1.55 0.83 0.81 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 0.00 164 Y 8.24 4.08 0.00 1.43 2.33 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 0.00 165 I 7.87 4.27 1.74 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.06 0.86 0.00 0.00 166 N 9.63 4.06 0.00 2.63 2.63 0.00 0.00 7.27 7.98 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 0.00 167 G 8.94 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 A 6.51 4.43 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 W 8.79 4.80 0.00 3.29 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 0.00 170 E 9.42 4.83 0.00 2.00 1.92 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 2.35 2.37 0.00 171 D 8.93 5.13 0.00 2.63 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 H 9.31 5.09 0.00 2.69 2.96 0.00 5.63 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 0.00 173 I 8.15 4.08 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.78 0.77 0.00 0.00 174 L 8.71 5.10 0.00 1.51 1.51 0.80 -0.02 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 0.00 175 T 8.98 5.42 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 1.43 0.00 0.00 176 S 9.17 5.15 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.78 4.60 0.00 0.79 1.01 0.00 1.27 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.18 7.81 178 I 8.27 4.56 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.94 0.64 0.00 0.00 179 N 8.51 3.92 0.00 1.44 2.20 0.00 0.00 6.92 9.09 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 0.00 180 D 8.62 4.39 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.07 4.68 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 W 7.64 4.33 0.00 3.22 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 0.00 183 K 7.92 4.00 0.00 1.78 1.56 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 1.21 7.81 184 P 0.00 3.42 0.00 2.00 1.92 0.00 3.29 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.