NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9774 8.3393 109.7425 44.4367 0.0000 173.4367 0 P 4.1857 0.0000 0.0000 63.4383 31.9143 175.1623 1 M 3.6668 8.9008 119.4974 56.5624 30.2688 177.7820 2 D 5.0964 7.7056 116.6868 53.0006 40.4118 177.2106 3 F 3.9690 8.7543 124.3344 62.0813 39.0842 177.4359 4 L 3.6917 7.6194 117.7836 57.0845 41.4652 178.2778 5 R 4.4828 7.9347 116.5206 57.9006 30.1686 177.1271 6 S 4.6989 7.4997 114.0906 57.7218 63.6556 174.2238 7 L 3.6099 7.8497 120.2855 54.9170 41.7889 176.2784 8 D 4.6979 8.0730 123.0746 52.6316 42.0827 175.6535 9 W 4.9515 8.6456 123.9635 55.3239 31.0622 175.6810 10 T 4.6998 9.1386 122.1886 61.5793 70.1994 174.3200 11 Q 4.2032 8.9521 127.6578 56.4611 29.6998 175.1616 12 V 3.9687 8.2229 125.9914 63.9348 32.5267 175.5416 13 I 4.5205 6.7776 110.0196 58.1170 40.8444 173.8351 14 A 3.8809 8.3386 123.2371 54.0964 18.2423 178.1546 15 G 3.9420 8.9896 111.1947 45.0827 0.0000 172.1305 16 Q 4.6633 7.4659 120.9801 54.2927 32.3997 173.6517 17 Y 5.3346 8.6304 122.4068 56.3582 43.2245 174.2894 18 V 5.3374 9.2480 120.2277 60.1914 35.1815 174.6619 19 S 4.8236 9.2656 116.2214 56.1057 66.5528 173.1484 20 N 5.3872 7.9372 115.4842 51.4896 38.8947 172.8409 21 P 4.4801 0.0000 0.0000 62.7474 32.8462 176.8192 22 R 4.8493 8.4247 119.2125 55.2895 31.3290 175.2275 23 F 4.7784 8.2419 117.4408 56.1184 41.3190 172.4169 24 N 4.9953 8.5707 117.0418 52.1168 39.8704 176.3436 25 I 3.8616 8.7167 125.4826 64.7548 37.3514 178.1057 26 S 4.8620 8.3987 111.3134 58.9890 63.1891 174.8032 27 D 4.4104 8.0567 121.2205 56.5373 40.9017 176.4448 28 Y 4.2931 7.9445 114.0262 57.0973 40.9065 175.3906 29 F 5.3561 8.5472 117.5039 55.3361 43.6363 173.8011 30 E 4.3381 9.6379 123.7647 56.0680 30.9119 175.3514 31 I 4.4797 8.4364 127.8180 60.5146 38.3678 175.8310 32 V 4.1683 8.8403 129.3038 61.0597 31.7218 174.7555 33 R 4.4435 8.5067 126.3606 56.3639 30.5411 176.3186 34 Q 4.6669 8.8512 121.9830 52.9203 31.6082 173.8310 35 P 4.2568 0.0000 0.0000 63.1934 31.6644 177.8282 36 G 3.6688 8.6320 110.3089 46.7670 0.0000 173.1368 37 D 4.6682 7.6022 120.4531 52.6806 40.0438 177.3232 38 G 4.2770 8.1453 106.7259 47.1288 0.0000 173.9866 39 N 4.8779 8.6243 117.9216 53.2371 38.8601 176.4978 40 C 4.0473 7.9104 117.2640 61.4736 29.2769 175.7600 41 F 3.6224 8.1326 122.3433 61.3942 38.8983 176.6787 42 Y 3.9466 7.6905 115.5976 60.9470 37.6767 177.6356 43 H 4.2468 8.3311 117.5400 59.1010 28.5948 177.9572 44 S 4.0658 7.8332 115.5733 61.5667 62.8888 176.4954 45 I 3.6421 7.2661 122.1924 64.2626 36.8205 178.3324 46 A 4.0653 8.2100 121.7566 55.1228 17.9743 179.0795 47 E 3.9183 8.2092 117.0360 59.1397 29.7953 178.3107 48 L 4.5335 7.5075 115.6042 55.0198 42.3658 176.9908 49 T 4.4791 7.7494 106.6486 61.0494 70.5617 173.6463 50 M 4.5525 7.8978 121.4909 52.5089 32.5661 173.6120 51 P 4.3295 0.0000 0.0000 63.7609 32.1989 176.3132 52 N 4.1532 8.8540 117.5175 53.6048 36.2377 174.4154 53 K 4.0857 8.0222 115.1953 57.5617 33.5595 175.5165 54 T 4.5667 8.6980 116.3614 61.5555 70.6082 175.7494 55 D 4.5808 8.7480 121.7230 57.4612 41.1714 177.2763 56 H 5.2300 7.8908 115.8800 55.0226 29.8770 175.6808 57 S 4.2715 8.1738 117.2569 61.2916 62.6217 175.4227 58 Y 4.3012 8.1463 120.3198 60.3086 37.3366 177.9649 59 H 3.8301 6.9944 117.7453 58.9211 28.6583 176.8913 60 Y 4.0811 8.0547 121.2287 60.7659 38.5666 178.1410 61 I 3.5931 7.7538 120.2528 64.3763 37.3030 178.4520 62 K 3.8034 8.3036 119.4955 59.2641 31.7550 179.6210 63 R 3.8790 8.2009 118.8548 59.2629 29.9013 179.1077 64 L 3.9346 7.7754 118.7856 57.8545 41.4691 179.6908 65 T 3.9961 8.0472 116.1423 66.3712 68.3755 176.3130 66 E 3.9157 8.2374 121.2858 59.3652 29.3829 178.8049 67 S 4.0382 8.0378 112.9077 61.2754 62.3781 175.8899 68 A 4.2389 8.4555 123.6142 55.3096 18.1219 179.4695 69 A 4.0487 8.5296 119.6738 55.4676 18.2344 180.0544 70 R 3.8447 7.9058 115.6212 59.0247 30.1035 178.9153 71 K 3.9650 7.1940 116.0816 58.2204 32.6050 177.8294 72 Y 4.8523 7.8826 114.9118 58.0245 39.8451 177.2548 73 Y 4.0294 8.1156 121.2443 61.0233 38.6045 178.3602 74 Q 3.8948 8.1988 116.6456 58.1020 28.9071 177.4148 75 E 4.4523 7.7519 117.0703 55.0308 30.5100 175.8129 76 E 4.1470 7.4009 121.0549 55.1942 30.2452 176.1163 77 P 4.2151 0.0000 0.0000 65.7105 31.3990 178.5290 78 E 4.0012 8.1128 116.2148 58.5300 29.4392 178.6209 79 A 3.7366 7.6047 121.4733 55.2640 17.9583 179.8330 80 R 3.8651 7.3890 115.6128 59.2161 30.1141 178.9278 81 L 4.1610 7.5945 118.3279 57.3041 41.6593 179.3465 82 V 3.8449 7.5787 117.4698 65.1674 31.7192 177.1590 83 G 3.9350 8.0009 104.0583 45.6094 0.0000 172.7406 84 L 4.8450 7.2064 118.2447 52.2126 44.2874 177.2421 85 S 4.4706 8.3468 115.9559 58.1146 64.9136 174.9866 86 L 3.6645 8.6154 123.8750 58.5842 41.7347 179.1739 87 E 3.9414 8.0812 117.7960 59.5436 29.5060 178.9280 88 D 4.3491 8.1445 119.0239 57.2385 40.7818 178.1049 89 Y 3.9225 8.3994 120.5645 60.7053 38.7105 178.3116 90 L 3.6326 8.0413 119.9616 57.5403 41.4674 179.5852 91 K 3.8559 7.6263 117.4740 59.3277 32.2621 179.1814 92 R 3.8989 7.7635 118.8038 59.6617 29.8876 178.0345 93 M 3.8018 7.8160 117.3291 58.5827 32.1056 177.1065 94 L 4.1437 7.6393 115.5522 55.6561 42.2872 177.5434 95 S 4.2594 7.7445 116.7180 57.8366 63.3750 173.3132 96 D 4.5059 8.4538 123.6999 55.9012 41.5885 176.0732 97 N 4.4307 9.6172 122.1680 53.5063 36.8934 173.3124 98 E 4.4558 7.9145 119.9547 55.0147 30.1638 176.5146 99 W 4.6491 8.8783 126.8617 56.9870 29.6515 176.4492 100 G 3.4372 8.5333 112.2916 45.0306 0.0000 172.2079 101 S 4.3660 6.7090 112.9014 56.4561 67.0642 175.8004 102 T 3.5704 8.3451 111.7391 64.8759 67.8899 175.9330 103 L 3.8113 7.7042 123.0620 58.1514 42.0929 178.8196 104 E 4.0500 7.8898 117.7945 59.0278 29.4247 179.0127 105 A 3.9406 7.5492 121.0573 55.0393 17.9499 179.4711 106 S 3.8446 7.3003 111.6071 61.8909 62.4061 176.4483 107 M 4.0650 7.9212 121.2495 58.3238 31.7039 178.8163 108 L 4.0570 8.4042 119.4115 57.4615 41.8430 179.2713 109 A 4.2120 7.9914 122.2941 54.4938 18.0724 179.9070 110 K 3.7974 7.3776 115.3745 59.5580 32.1574 179.0040 111 E 4.2504 8.2355 118.3490 59.1813 29.7428 177.9292 112 M 4.4204 8.5132 116.7051 54.6267 32.6193 177.2446 113 G 3.8824 7.6998 106.3888 45.7883 0.0000 173.6467 114 I 4.2594 7.3313 113.3655 59.9185 39.5382 174.0519 115 T 4.8655 8.1682 116.6736 61.8420 71.2009 173.5236 116 I 5.0034 8.9461 126.7788 59.5145 40.7370 174.4437 117 I 4.7069 8.7065 127.2067 59.4746 40.1572 174.4899 118 I 4.8357 8.7656 128.3940 59.5373 39.2427 174.6915 119 W 5.1079 9.2753 128.7918 55.9422 30.6386 175.4359 120 T 5.0924 9.1300 119.9328 60.6313 69.2469 173.2203 121 V 4.5505 7.9807 122.1665 60.5402 35.4239 173.5928 *124 S 4.2716 8.5340 118.4722 59.6130 64.0543 173.1865 125 D 4.8349 8.1394 117.7363 53.0815 39.5069 175.1024 126 E 4.3054 7.8522 121.6512 56.2488 29.9399 176.5127 127 V 3.6989 7.9574 127.2727 63.1403 32.1548 174.9059 128 E 4.4361 9.1502 128.5618 58.2395 30.4551 175.7370 129 A 4.8478 7.8693 118.3852 50.9027 23.0011 174.9820 130 G 3.8590 8.9567 106.8340 44.2270 0.0000 172.3688 131 I 4.9940 8.5353 125.1063 59.0778 40.1559 174.3569 132 K 4.5900 8.7375 128.6267 54.3102 34.8699 174.5031 133 F 4.8420 9.3937 126.4226 57.7844 41.1445 175.5000 134 G 4.1181 9.1419 110.5438 45.2667 0.0000 172.6458 135 D 4.5203 8.2981 116.5867 53.7933 41.4037 177.2694 136 G 3.7881 7.8742 109.5552 44.9768 0.0000 172.5232 137 D 4.7883 8.1217 119.2625 51.1348 41.5298 177.7070 138 V 3.7704 8.2887 117.9298 64.6735 31.3859 177.6050 139 F 4.4475 8.2459 118.7764 59.5641 38.8865 176.1163 140 T 4.5531 8.1249 107.5960 61.0346 69.1305 173.9651 141 A 4.3829 7.4771 124.1166 52.1456 19.6364 178.4833 142 V 3.9666 8.9215 120.9105 62.2127 32.2285 174.4693 143 N 5.3100 8.7357 126.3256 52.2290 40.1339 174.3488 144 L 5.1958 9.3598 124.0777 52.8195 45.4439 175.0776 145 L 5.1576 9.0218 124.5546 53.7711 44.5736 174.3622 146 H 5.1273 9.5560 127.4774 54.5555 31.6219 173.4571 147 S 4.6800 8.4123 120.1281 56.5938 66.8827 174.3041 148 G 3.5940 9.3546 106.7544 46.2317 0.0000 174.6987 149 Q 3.6105 8.2696 114.9600 56.5021 26.7117 174.4488 150 T 4.2979 7.5765 104.8150 61.4656 70.6624 172.8312 151 H 4.5237 7.2495 121.1486 54.8591 33.4815 171.7316 152 F 5.4910 8.3379 122.9115 55.9161 41.6793 174.1490 153 D 5.1002 9.2202 121.2465 52.4098 45.5375 174.5698 154 A 4.8330 8.3436 121.3698 51.2669 20.6609 176.4902 155 L 5.3950 8.6728 119.3765 53.0083 45.4174 176.4515 156 R 4.9199 8.9524 120.6614 54.1042 33.6454 175.2046 157 I 3.9524 8.8412 124.3838 61.5860 37.9113 176.0332 158 L 4.2033 8.9603 126.8220 54.1899 42.3658 176.6297 159 P 4.2723 0.0000 0.0000 65.7354 31.4660 178.5899 160 Q 3.8593 7.6407 114.1760 57.9355 28.5677 176.5627 161 F 4.6896 7.6392 116.1442 57.1595 39.6997 175.6613 162 E 4.1926 8.2026 126.0281 56.6142 29.6330 174.2639 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 G 8.34 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 0 P 0.00 4.19 0.00 2.43 2.22 0.00 3.58 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 1 M 8.90 3.67 0.00 2.38 2.33 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 2 D 7.71 5.10 0.00 3.11 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 3 F 8.75 3.97 0.00 2.98 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 4 L 7.62 3.69 0.00 1.60 1.19 0.46 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.93 4.48 0.00 2.04 2.05 0.00 2.97 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.70 0.00 6 S 7.50 4.70 0.00 3.61 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 7 L 7.85 3.61 0.00 1.59 1.04 1.14 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.07 4.70 0.00 2.37 2.51 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 9 W 8.65 4.95 0.00 3.00 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 10 T 9.14 4.70 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 1.25 0.00 0.00 11 Q 8.95 4.20 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 12 V 8.22 3.97 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 0.77 0.00 0.00 0.85 0.00 0.00 13 I 6.78 4.52 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.84 0.00 0.00 14 A 8.34 3.88 1.22 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 15 G 8.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.47 4.66 0.00 1.87 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.61 0.00 0.00 0.00 0.00 0.00 1.86 1.66 0.00 17 Y 8.63 5.33 0.00 2.70 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 9.25 5.34 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 0.97 0.00 0.00 1.00 0.00 0.00 19 S 9.27 4.82 0.00 3.21 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 20 N 7.94 5.39 0.00 2.66 2.77 0.00 0.00 6.98 8.02 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 21 P 0.00 4.48 0.00 2.69 2.06 0.00 3.94 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 2.57 2.34 0.00 22 R 8.42 4.85 0.00 1.80 1.98 0.00 3.27 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 23 F 8.24 4.78 0.00 2.94 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 24 N 8.57 5.00 0.00 2.68 3.09 0.00 0.00 6.80 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 25 I 8.72 3.86 1.85 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 1.14 0.95 0.97 0.00 0.00 26 S 8.40 4.86 0.00 4.00 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 27 D 8.06 4.41 0.00 2.83 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 28 Y 7.94 4.29 0.00 2.49 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 0.00 0.00 0.00 29 F 8.55 5.36 0.00 3.10 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 30 E 9.64 4.34 0.00 2.09 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 0.00 2.37 2.35 0.00 31 I 8.44 4.48 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.95 0.00 0.00 32 V 8.84 4.17 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 0.99 0.00 0.00 1.00 0.00 0.00 33 R 8.51 4.44 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 34 Q 8.85 4.67 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 35 P 0.00 4.26 0.00 2.09 1.95 0.00 3.32 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 1.71 2.01 0.00 36 G 8.63 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.60 4.67 0.00 3.24 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 38 G 8.15 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 0.00 0.00 0.00 0.00 39 N 8.62 4.88 0.00 2.20 1.91 0.00 0.00 6.62 7.20 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 40 C 7.91 4.05 0.00 3.19 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 41 F 8.13 3.62 0.00 2.71 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 42 Y 7.69 3.95 0.00 3.01 3.08 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 43 H 8.33 4.25 0.00 3.30 3.53 0.00 5.62 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 44 S 7.83 4.07 0.00 3.70 3.79 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 0.00 0.00 0.00 45 I 7.27 3.64 1.64 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.71 0.82 0.00 0.00 46 A 8.21 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.21 3.92 0.00 2.08 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 2.36 2.44 0.00 48 L 7.51 4.53 0.00 1.63 1.72 1.06 1.35 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 49 T 7.75 4.48 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 M 7.90 4.55 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 51 P 0.00 4.33 0.00 2.04 2.00 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 52 N 8.85 4.15 0.00 2.80 2.85 0.00 0.00 6.99 7.61 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 53 K 8.02 4.09 0.00 1.90 2.10 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.52 7.81 54 T 8.70 4.57 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 55 D 8.75 4.58 0.00 2.71 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 56 H 7.89 5.23 0.00 3.16 2.99 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.17 4.27 0.00 3.96 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 58 Y 8.15 4.30 0.00 3.19 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 59 H 6.99 3.83 0.00 3.05 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.05 4.08 0.00 3.04 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 61 I 7.75 3.59 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.79 1.06 0.00 0.00 62 K 8.30 3.80 0.00 1.75 1.59 0.00 1.34 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 1.33 7.81 63 R 8.20 3.88 0.00 1.85 1.90 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 64 L 7.78 3.93 0.00 1.68 1.61 0.57 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.05 4.00 4.46 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 0.00 0.00 0.00 1.44 0.00 0.00 66 E 8.24 3.92 0.00 2.01 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 2.29 0.00 67 S 8.04 4.04 0.00 3.92 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 68 A 8.46 4.24 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.53 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.91 3.84 0.00 1.91 1.97 0.00 3.13 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 71 K 7.19 3.97 0.00 0.79 0.89 0.00 1.25 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.20 1.41 7.81 72 Y 7.88 4.85 0.00 3.09 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 73 Y 8.12 4.03 0.00 2.90 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 74 Q 8.20 3.89 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 75 E 7.75 4.45 0.00 1.99 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 2.26 2.32 0.00 76 E 7.40 4.15 0.00 1.92 1.77 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 2.56 2.40 0.00 77 P 0.00 4.22 0.00 2.12 2.06 0.00 3.55 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 78 E 8.11 4.00 0.00 1.97 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 2.38 0.00 79 A 7.60 3.74 0.43 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 0.00 0.00 80 R 7.39 3.87 0.00 1.83 1.97 0.00 3.12 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 81 L 7.59 4.16 0.00 1.76 1.74 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.58 3.84 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 1.12 0.00 0.00 1.07 0.00 0.00 83 G 8.00 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 84 L 7.21 4.85 0.00 1.74 1.67 0.99 0.86 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 85 S 8.35 4.47 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.62 3.66 0.00 1.90 1.76 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.08 3.94 0.00 2.02 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 2.40 2.34 0.00 88 D 8.14 4.35 0.00 2.74 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 89 Y 8.40 3.92 0.00 2.75 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 90 L 8.04 3.63 0.00 1.80 1.61 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.63 3.86 0.00 1.82 1.82 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.64 7.81 92 R 7.76 3.90 0.00 1.81 1.87 0.00 3.09 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 93 M 7.82 3.80 0.00 1.40 1.06 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 94 L 7.64 4.14 0.00 1.67 1.62 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.74 4.26 0.00 4.01 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 96 D 8.45 4.51 0.00 2.68 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 97 N 9.62 4.43 0.00 3.03 3.08 0.00 0.00 6.43 8.39 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 98 E 7.91 4.46 0.00 1.91 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 0.00 2.37 2.38 0.00 99 W 8.88 4.65 0.00 3.35 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 0.00 100 G 8.53 3.44 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 0.00 101 S 6.71 4.37 0.00 4.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.35 3.57 4.49 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 1.42 0.00 0.00 103 L 7.70 3.81 0.00 1.91 1.68 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.89 4.05 0.00 1.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 105 A 7.55 3.94 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 0.00 106 S 7.30 3.84 0.00 3.80 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 0.00 107 M 7.92 4.07 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.82 0.00 108 L 8.40 4.06 0.00 1.76 1.73 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.99 4.21 1.43 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 0.00 0.00 110 K 7.38 3.80 0.00 1.38 1.17 0.00 0.71 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 1.34 7.81 111 E 8.24 4.25 0.00 2.21 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 2.53 2.44 0.00 112 M 8.51 4.42 0.00 2.02 2.21 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 2.59 2.56 0.00 113 G 7.70 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 0.00 114 I 7.33 4.26 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.94 0.00 0.00 115 T 8.17 4.87 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 116 I 8.95 5.00 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.94 0.00 0.00 117 I 8.71 4.71 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 -0.19 0.00 0.00 128 E 9.15 4.44 0.00 1.99 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 2.29 2.27 0.00 129 A 7.87 4.85 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 0.00 130 G 8.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.54 4.99 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.92 0.52 0.00 0.00 132 K 8.74 4.59 0.00 0.79 0.80 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.90 7.81 133 F 9.39 4.84 0.00 2.92 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 9.14 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 0.00 135 D 8.30 4.52 0.00 2.65 2.64 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 0.00 136 G 7.87 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.12 4.79 0.00 3.05 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 0.00 138 V 8.29 3.77 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 1.26 0.00 0.00 139 F 8.25 4.45 0.00 3.37 3.21 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 0.00 140 T 8.12 4.55 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 1.30 0.00 0.00 141 A 7.48 4.38 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 0.00 142 V 8.92 3.97 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 0.95 0.00 0.00 0.94 0.00 0.00 143 N 8.74 5.31 0.00 2.84 2.83 0.00 0.00 6.87 6.74 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 0.00 144 L 9.36 5.20 0.00 1.64 1.69 0.47 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 145 L 9.02 5.16 0.00 1.75 1.57 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.56 5.13 0.00 3.24 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.41 4.68 0.00 3.79 3.83 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 0.00 0.00 0.00 148 G 9.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.27 3.61 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.09 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 150 T 7.58 4.30 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 1.37 0.00 0.00 151 H 7.25 4.52 0.00 3.01 3.08 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.34 5.49 0.00 2.85 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 0.00 153 D 9.22 5.10 0.00 2.57 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 0.00 154 A 8.34 4.83 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 0.00 155 L 8.67 5.40 0.00 1.50 1.49 0.46 0.68 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 0.00 156 R 8.95 4.92 0.00 1.85 1.90 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 157 I 8.84 3.95 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.64 1.01 0.00 0.00 158 L 8.96 4.20 0.00 1.87 1.60 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.27 0.00 2.11 2.09 0.00 3.56 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 2.08 2.09 0.00 160 Q 7.64 3.86 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 161 F 7.64 4.69 0.00 3.32 3.28 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 0.00 162 E 8.20 4.19 0.00 2.15 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 0.00 2.21 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.