NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5800 8.4449 117.8319 55.6634 30.1546 172.3774 *2 S 4.1539 8.2184 116.9260 58.5817 63.7762 174.4903 3 D 4.7267 8.0851 123.2094 53.4944 39.4371 176.3293 4 W 4.4761 8.3617 123.7095 58.9580 29.6421 177.3372 5 D 4.4947 8.4868 118.6755 57.2261 40.3350 177.0628 6 P 4.3239 0.0000 0.0000 65.2509 31.3004 178.9835 7 V 4.0603 7.7363 118.2822 65.5602 31.6096 177.9806 8 V 3.2176 8.2777 118.3091 65.7264 31.2468 177.7383 9 K 3.8502 8.2365 119.5769 59.6395 31.7218 178.6334 10 E 4.7620 8.2885 119.0206 58.5022 29.3121 178.8798 11 W 4.1203 7.9493 119.1057 58.3654 29.1694 177.6360 12 L 4.5374 8.2238 118.1769 55.0580 42.5128 178.4356 13 V 3.9485 7.3565 116.8023 64.8208 32.4285 177.3057 14 D 4.3377 8.2770 119.1490 57.5559 40.8107 178.9505 15 T 3.7449 7.6746 107.5835 62.9551 68.8651 175.3121 16 G 3.7584 8.0052 110.0446 45.4668 0.0000 173.7962 17 Y 4.4138 7.3991 116.1703 59.3718 38.5170 175.2990 18 C 5.1452 7.4678 116.3319 57.9146 31.4478 173.7253 19 C 4.4864 8.9439 117.2829 59.9684 30.7977 172.7513 20 A 4.7675 7.5333 119.5885 51.7059 22.4087 174.7847 21 G 4.1461 8.3575 105.6620 46.3413 0.0000 172.1620 22 G 4.2943 8.2153 106.4449 45.9563 0.0000 172.3718 23 I 4.8944 7.6678 119.1690 59.1306 41.0845 175.1272 24 A 5.0383 8.6115 127.2043 49.7162 22.9123 174.6406 25 N 4.9641 8.9996 118.2277 53.2853 39.2195 176.1485 26 A 4.1683 9.0927 128.3760 55.0069 19.0939 179.5917 27 E 4.0283 8.7498 115.3236 59.1159 29.5400 177.6069 28 D 4.6797 7.3921 110.0154 51.8607 41.1796 176.3823 29 G 3.8868 8.9068 109.2727 45.5773 0.0000 172.9550 30 V 4.2347 8.0383 121.3580 62.0422 32.5757 175.5431 31 V 4.2440 8.6790 128.9811 63.1047 31.6863 175.3231 32 F 5.3415 8.9497 121.4216 56.6122 39.3505 174.9354 33 A 5.1018 7.0620 120.5403 50.8405 22.5189 174.8347 34 A 4.7261 8.7851 121.1505 50.8723 22.5503 175.4943 35 A 4.6477 8.6552 119.8540 51.1691 23.3072 175.2677 36 A 5.0740 8.2843 119.8940 50.3047 22.5333 177.2639 37 D 4.2698 8.9804 119.6414 55.8152 39.4389 177.3278 38 D 4.7297 8.0504 117.0968 52.3343 39.5478 175.5541 39 D 4.4478 8.1077 117.1719 55.9770 39.1951 173.5016 40 D 5.0652 8.1998 113.9003 53.1397 41.6670 177.2736 41 G 3.4720 8.0825 109.2213 47.8533 0.0000 174.4169 42 W 4.1103 8.2251 120.9219 59.5808 28.9008 178.6172 43 S 4.3103 7.7339 114.2385 61.2687 62.3359 176.2286 44 K 4.2659 8.1171 120.3509 57.5490 31.8678 178.2337 45 L 4.5545 7.7135 116.8382 54.9961 43.1772 175.8493 46 Y 5.0642 8.1256 119.4467 55.8735 42.0291 173.4866 47 K 4.1302 7.7767 126.5396 54.1472 35.4731 175.4338 48 D 4.4275 8.0993 124.4666 53.3638 41.7699 175.2451 49 D 4.6836 8.5864 122.4463 55.5585 41.3518 176.1149 50 H 4.9154 8.5681 117.3653 53.8425 32.2087 172.3811 51 E 4.7680 8.6417 119.9275 55.9110 30.9316 175.6262 52 E 4.6606 8.7748 121.4155 54.5162 34.0682 174.7766 53 D 4.9600 8.7441 123.2057 54.6778 42.1261 175.8496 54 T 4.4442 8.8468 120.0812 62.8376 70.1873 173.7233 55 I 4.7056 8.3651 127.0630 59.8637 39.1021 176.3687 56 G 3.9710 9.2326 116.9111 44.2587 0.0000 173.8215 57 E 4.1304 8.6127 116.2549 58.0903 29.6914 177.1061 58 D 4.5234 8.0799 117.9330 53.2467 39.9934 177.2052 59 G 3.9298 8.2124 108.6380 45.5932 0.0000 173.1193 60 N 4.9274 8.2617 116.8355 50.7108 40.9392 174.2102 61 A 4.5234 8.4433 123.8979 52.7640 18.8566 177.2620 62 C 4.7505 8.9154 116.4911 57.3591 31.1760 173.6216 63 G 4.0419 7.4479 105.6064 46.9371 0.0000 171.8727 64 K 5.2458 8.4617 117.3097 55.3307 36.3651 176.2603 65 V 4.5235 8.6213 114.1308 59.8452 36.5484 174.3505 66 S 4.6762 8.5280 117.4936 57.1106 63.6262 173.1420 67 I 4.0939 8.4032 129.0971 59.8740 38.8813 174.2700 68 N 4.8387 8.5045 126.5556 52.1983 39.7299 174.9201 69 E 4.0573 9.0797 127.0505 59.6012 29.5545 179.0043 70 A 4.5472 8.0863 121.3434 54.8486 18.3614 179.4683 71 S 4.1161 8.2233 113.2020 62.2134 62.8480 177.1002 72 T 3.9660 7.8104 111.8169 64.6857 68.5448 176.8791 73 I 3.6581 8.0354 122.7389 63.9943 37.1114 178.1579 74 K 3.8766 8.3374 120.4968 59.5508 32.0418 178.6139 75 A 3.9572 8.2779 120.8362 55.1615 18.4584 179.2517 76 A 4.1275 8.2893 119.7524 55.1292 18.1600 179.7515 77 V 3.9629 7.3784 116.6554 62.5734 32.1535 177.9304 78 D 4.5422 8.1077 119.1386 56.5294 41.3016 177.1188 79 D 4.5994 8.4996 116.6703 53.5638 42.0972 177.9351 80 G 4.2439 8.3196 105.8517 45.9708 0.0000 173.1432 81 S 4.7710 7.5777 112.8055 56.9360 65.9429 174.4961 82 A 4.7365 7.8521 120.8693 51.0180 20.0252 175.4467 83 P 4.3100 0.0000 0.0000 64.4928 31.9793 178.0885 84 N 4.8547 8.4656 113.2204 52.5290 39.0916 175.1838 85 G 3.9287 8.2245 103.9902 45.4624 0.0000 173.1373 86 V 4.3359 8.3511 118.6949 60.6831 32.6971 174.5892 87 W 5.1444 8.9182 127.1608 54.9532 31.3523 175.2037 88 I 4.6709 8.5419 123.9579 60.4335 39.5325 175.7514 89 G 3.7320 9.5663 113.8815 45.8312 0.0000 174.2723 90 G 3.9687 9.3190 106.9256 45.1293 0.0000 174.1138 91 Q 4.4995 7.9169 119.4514 53.6732 30.6276 174.5047 92 K 3.4574 7.6072 123.7928 55.6177 32.9387 175.3288 93 Y 4.8342 8.9526 124.4518 55.9177 41.9910 174.5488 94 K 4.7926 8.8210 121.1594 55.0381 35.5971 175.8678 95 V 3.9559 8.2523 122.3611 62.8788 32.0055 175.8302 96 V 3.8652 8.3739 127.1430 64.9509 32.1557 176.0442 97 R 4.4427 7.5086 117.6328 55.0229 32.9483 171.6169 98 P 5.0231 0.0000 0.0000 61.6951 33.4923 175.0462 99 E 4.6808 9.4997 121.4621 54.7667 33.1626 174.9627 100 K 4.5786 8.9738 124.3995 55.9974 33.6656 176.8457 101 G 3.8652 9.2367 111.0558 46.5089 0.0000 173.7499 102 F 4.2241 8.6514 123.0187 57.6962 39.9060 173.6587 103 E 4.7269 7.8618 127.5572 54.9907 30.8018 174.9838 104 Y 4.5793 8.4588 123.9482 56.8069 42.2871 174.9594 105 N 4.0402 7.8486 126.3109 54.9969 38.1892 174.5509 106 D 4.7226 8.7647 125.7942 55.3700 40.8701 175.1508 107 C 4.6493 8.1090 117.8393 58.1924 31.3368 172.9401 108 T 4.8311 7.6878 116.7179 61.8677 71.0446 173.4035 109 F 5.3788 9.4404 124.3590 55.8628 43.8956 173.4915 110 D 5.4665 8.7171 120.4866 52.9253 42.6229 175.7519 111 I 4.9692 8.8671 117.2578 59.6814 40.7801 175.0120 112 T 5.0992 8.3946 120.9854 61.3537 72.5535 172.5390 *114 C 4.6778 8.5644 117.9026 60.8488 30.1600 172.8617 115 A 5.2511 9.0134 121.6558 50.6228 22.4919 175.3557 116 R 4.5514 8.6892 115.5491 54.0672 33.7990 174.1711 117 S 4.1900 8.4849 113.4420 59.7139 62.6314 173.6866 118 K 4.2806 8.1831 125.4531 55.9625 29.7175 175.3641 119 G 3.3794 6.9144 105.9391 47.4439 0.0000 171.7545 120 G 4.1813 6.1056 103.9254 46.5716 0.0000 172.2062 121 A 5.0286 8.6739 120.7299 50.9217 22.5419 175.9616 122 H 5.0451 9.3126 119.4071 53.9349 31.7727 173.5674 123 L 5.1010 8.8407 122.7961 52.9429 44.7728 175.5018 124 I 4.7093 8.6597 124.7969 59.3063 40.4023 174.3572 125 K 4.8970 9.0728 130.5432 55.2674 33.6016 176.3901 126 T 4.9164 8.8305 118.2616 60.1005 70.2178 174.0878 127 P 4.2844 0.0000 0.0000 65.5700 31.4604 177.1734 128 N 4.7319 8.2025 113.0864 53.1953 38.6176 175.2153 129 G 4.0815 8.3068 107.2288 45.6907 0.0000 173.5104 130 S 5.2453 8.2340 114.5099 56.4006 66.4603 173.5400 131 I 4.7936 8.6092 123.2152 59.3886 39.7076 175.2268 132 V 4.0458 8.6820 128.8434 62.6527 32.8234 174.7331 133 I 4.9154 8.7755 128.3001 59.3964 40.2882 174.3746 134 A 4.8440 8.8540 128.0993 50.2127 22.0546 174.5221 135 L 5.1501 8.9385 123.3882 53.3077 44.4802 175.4589 136 Y 5.2862 8.3395 119.9955 55.2265 42.0730 173.7803 137 D 4.8404 9.5860 120.9475 52.5351 43.4422 176.4842 138 E 4.5957 9.3182 126.7485 58.9658 29.7093 179.0501 139 E 4.1825 8.4914 116.9722 58.0617 29.3282 177.4519 140 K 4.4475 8.2423 118.5740 55.9885 32.2784 176.6482 141 E 3.9471 7.9839 115.9687 57.5696 27.4044 174.5163 142 Q 4.7100 7.4244 117.8280 54.5498 31.0153 174.4743 143 D 4.9542 7.9925 118.2288 51.0779 43.1357 176.5921 144 K 2.8318 8.1171 118.6679 59.4573 33.1632 179.7539 145 G 3.4207 8.0272 106.0862 47.8231 0.0000 175.4940 146 N 4.2226 8.8878 120.2780 55.6147 38.5337 177.8071 147 S 4.1947 7.8932 115.6685 61.2173 63.0562 176.5936 148 R 3.4042 7.6248 121.9230 59.4517 29.7595 178.6413 149 T 3.8023 7.7055 115.4949 66.6313 68.3644 176.7746 150 S 4.1386 7.9172 116.8553 61.5729 62.7929 176.6654 151 A 4.0303 8.0386 123.3526 55.1033 18.1034 179.6708 152 L 3.4539 7.8371 117.3015 57.6944 41.5599 179.6228 153 A 4.3240 8.1231 120.8007 55.2037 18.2871 179.4961 154 F 3.7326 8.4208 119.0101 61.2634 39.4096 177.2093 155 A 3.5238 8.0668 120.7465 54.8585 17.9095 179.1763 156 E 4.2762 8.7267 118.2987 59.6984 29.8968 178.3671 157 Y 4.2312 7.9362 119.5138 60.7295 38.6801 178.0812 158 L 3.7613 7.7688 120.1311 58.0224 41.7224 178.9496 159 H 4.5222 8.4503 119.7253 59.0124 29.5941 177.2907 160 Q 4.0105 8.2141 118.8404 58.7390 28.6274 178.1288 161 S 4.4551 7.5590 113.0792 58.5897 63.1849 175.0608 162 G 3.7522 7.9345 110.4079 45.4081 0.0000 173.4289 163 Y 4.2794 8.2433 123.5547 57.9114 38.0692 175.4934 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 0 H 8.44 4.58 0.00 3.17 3.29 0.00 5.70 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 *2 S 8.22 4.15 0.00 3.40 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 3 D 8.09 4.73 0.00 2.62 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 4 W 8.36 4.48 0.00 3.64 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 5 D 8.49 4.49 0.00 2.86 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.32 0.00 2.22 2.15 0.00 3.77 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 2.31 2.20 0.00 7 V 7.74 4.06 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 1.73 0.00 0.00 1.04 0.00 0.00 8 V 8.28 3.22 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 0.92 0.00 0.00 1.07 0.00 0.00 9 K 8.24 3.85 0.00 1.96 1.93 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 10 E 8.29 4.76 0.00 2.12 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 0.00 2.71 2.07 0.00 11 W 7.95 4.12 0.00 2.55 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 12 L 8.22 4.54 0.00 1.61 1.64 0.88 0.68 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 13 V 7.36 3.95 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 1.08 0.00 0.00 0.89 0.00 0.00 14 D 8.28 4.34 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.67 3.74 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 16 G 8.01 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 17 Y 7.40 4.41 0.00 3.04 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 18 C 7.47 5.15 0.00 2.96 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 19 C 8.94 4.49 0.00 3.10 3.33 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 20 A 7.53 4.77 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 21 G 8.36 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 0.00 0.00 0.00 0.00 22 G 8.22 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.67 4.89 0.56 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.53 0.42 0.00 0.00 24 A 8.61 5.04 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 25 N 9.00 4.96 0.00 2.96 3.03 0.00 0.00 7.47 7.76 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 26 A 9.09 4.17 1.33 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 0.00 0.00 27 E 8.75 4.03 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 28 D 7.39 4.68 0.00 2.79 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 29 G 8.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.04 4.23 2.28 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 0.96 0.00 0.00 1.07 0.00 0.00 31 V 8.68 4.24 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 0.55 0.00 0.00 0.92 0.00 0.00 32 F 8.95 5.34 0.00 2.95 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 33 A 7.06 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.79 4.73 -0.28 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 35 A 8.66 4.65 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 36 A 8.28 5.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.98 4.27 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.05 4.73 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.11 4.45 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.20 5.07 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.08 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 0.00 0.00 0.00 42 W 8.23 4.11 0.00 3.52 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 43 S 7.73 4.31 0.00 3.87 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 44 K 8.12 4.27 0.00 1.94 1.84 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 45 L 7.71 4.55 0.00 1.45 1.50 0.75 0.68 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 46 Y 8.13 5.06 0.00 3.33 3.33 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 47 K 7.78 4.13 0.00 1.57 1.65 0.00 1.74 0.00 0.00 1.21 0.00 0.00 2.58 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.24 7.81 48 D 8.10 4.43 0.00 2.70 2.53 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 49 D 8.59 4.68 0.00 2.54 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 H 8.57 4.92 0.00 3.04 3.20 0.00 5.45 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.64 4.77 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 52 E 8.77 4.66 0.00 1.56 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 53 D 8.74 4.96 0.00 2.58 2.61 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 54 T 8.85 4.44 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 55 I 8.37 4.71 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.93 0.00 0.00 56 G 9.23 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 0.00 0.00 0.00 57 E 8.61 4.13 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 58 D 8.08 4.52 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.21 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.26 4.93 0.00 3.03 2.71 0.00 0.00 6.86 7.06 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 61 A 8.44 4.52 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.92 4.75 0.00 2.89 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 63 G 7.45 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.46 5.25 0.00 1.57 1.62 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.46 7.81 65 V 8.62 4.52 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 66 S 8.53 4.68 0.00 3.81 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 67 I 8.40 4.09 1.17 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.61 0.00 0.00 68 N 8.50 4.84 0.00 2.78 2.70 0.00 0.00 7.18 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 69 E 9.08 4.06 0.00 2.15 2.26 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 2.56 2.43 0.00 70 A 8.09 4.55 1.51 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 71 S 8.22 4.12 0.00 4.07 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 72 T 7.81 3.97 4.52 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 1.41 0.00 0.00 73 I 8.04 3.66 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.21 0.88 0.00 0.00 74 K 8.34 3.88 0.00 1.83 1.97 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 75 A 8.28 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.29 4.13 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 77 V 7.38 3.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.90 0.00 0.00 78 D 8.11 4.54 0.00 2.79 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 79 D 8.50 4.60 0.00 2.61 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 80 G 8.32 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.58 4.77 0.00 3.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.85 4.74 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.31 0.00 2.22 2.23 0.00 3.77 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 2.02 2.02 0.00 84 N 8.47 4.85 0.00 2.83 2.99 0.00 0.00 7.09 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 85 G 8.22 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.35 4.34 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 0.95 0.00 0.00 0.93 0.00 0.00 87 W 8.92 5.14 0.00 3.32 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 88 I 8.54 4.67 1.97 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.95 0.00 0.00 89 G 9.57 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 90 G 9.32 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 0.00 0.00 0.00 91 Q 7.92 4.50 0.00 2.21 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 92 K 7.61 3.46 0.00 0.79 0.91 0.00 1.52 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.82 0.22 7.81 93 Y 8.95 4.83 0.00 2.76 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 94 K 8.82 4.79 0.00 1.75 1.85 0.00 1.29 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.35 7.81 95 V 8.25 3.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 96 V 8.37 3.87 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 0.95 0.00 0.00 97 R 7.51 4.44 0.00 1.88 1.70 0.00 3.23 0.00 0.00 3.40 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 98 P 0.00 5.02 0.00 2.11 2.01 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 99 E 9.50 4.68 0.00 1.85 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 2.26 0.00 100 K 8.97 4.58 0.00 1.67 1.76 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 101 G 9.24 3.87 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 0.00 0.00 0.00 102 F 8.65 4.22 0.00 3.15 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 0.00 103 E 7.86 4.73 0.00 1.73 1.68 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 2.12 2.14 0.00 104 Y 8.46 4.58 0.00 3.29 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 0.00 105 N 7.85 4.04 0.00 2.75 1.90 0.00 0.00 7.15 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 0.00 106 D 8.76 4.72 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 107 C 8.11 4.65 0.00 2.56 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.69 4.83 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 109 F 9.44 5.38 0.00 3.03 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 0.00 110 D 8.72 5.47 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.87 4.97 1.66 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.75 0.82 0.00 0.00 112 T 8.39 5.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 *114 C 8.56 4.68 0.00 2.71 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 0.00 115 A 9.01 5.25 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 0.00 116 R 8.69 4.55 0.00 1.43 1.44 0.00 2.42 0.00 0.00 2.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 117 S 8.48 4.19 0.00 3.77 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 0.00 118 K 8.18 4.28 0.00 2.01 1.84 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.60 7.81 119 G 6.91 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 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0.00 7.19 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 0.00 129 G 8.31 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.23 5.25 0.00 3.70 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 0.00 131 I 8.61 4.79 1.78 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 1.07 0.67 0.81 0.00 0.00 132 V 8.68 4.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.57 0.00 0.00 133 I 8.78 4.92 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.68 0.75 0.00 0.00 134 A 8.85 4.84 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 0.00 135 L 8.94 5.15 0.00 1.56 1.52 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.34 5.29 0.00 3.10 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 0.00 137 D 9.59 4.84 0.00 2.65 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 0.00 138 E 9.32 4.60 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 139 E 8.49 4.18 0.00 2.06 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 2.34 2.41 0.00 140 K 8.24 4.45 0.00 1.97 1.79 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.39 7.81 141 E 7.98 3.95 0.00 2.15 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 2.24 2.41 0.00 142 Q 7.42 4.71 0.00 2.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 143 D 7.99 4.95 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.12 2.83 0.00 1.80 1.83 0.00 1.49 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.33 7.81 145 G 8.03 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.89 4.22 0.00 2.73 2.69 0.00 0.00 6.85 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 0.00 147 S 7.89 4.19 0.00 4.21 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 0.00 148 R 7.62 3.40 0.00 1.71 1.91 0.00 2.89 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.27 0.00 149 T 7.71 3.80 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 150 S 7.92 4.14 0.00 4.09 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 0.00 151 A 8.04 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.84 3.45 0.00 1.30 0.13 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.12 4.32 1.71 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 0.00 0.00 154 F 8.42 3.73 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.07 3.52 0.52 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 0.00 0.00 156 E 8.73 4.28 0.00 2.60 2.48 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 2.56 2.58 0.00 157 Y 7.94 4.23 0.00 2.59 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.77 3.76 0.00 1.62 1.58 0.27 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 159 H 8.45 4.52 0.00 3.46 3.63 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 8.21 4.01 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.75 0.00 161 S 7.56 4.46 0.00 4.09 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 0.00 162 G 7.93 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.24 4.28 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.