NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2338 8.2649 123.5764 50.9129 19.9393 176.6946 2 P 4.2776 0.0000 0.0000 61.5467 31.9641 174.3658 3 P 4.4419 0.0000 0.0000 65.3071 32.4192 176.1414 4 E 4.8143 7.5360 112.8380 54.8827 32.4776 173.9515 5 W 4.2577 8.1792 125.5772 56.8869 33.3404 173.3354 6 D 4.5974 7.3718 123.8377 52.6384 43.5754 175.2505 7 W 4.4538 8.8932 126.0574 58.8306 29.9040 178.5577 8 R 3.9475 8.5153 118.8734 59.2270 29.4981 178.3905 9 S 4.4882 7.8877 108.7929 58.9766 63.4118 174.3572 10 K 4.3726 7.8572 119.7916 56.0664 32.3367 176.9123 11 G 3.4931 7.8385 105.1953 45.9015 0.0000 174.2396 12 A 4.0397 7.8860 119.5960 51.2406 19.4169 177.4779 13 V 4.3399 7.2330 116.2812 61.2028 34.0487 175.6150 14 T 4.2661 8.3279 117.4848 60.1728 70.0193 173.9169 15 K 4.1301 8.1726 120.7105 56.4034 33.0649 176.6862 16 V 3.6429 8.1363 119.9629 62.8275 31.8219 175.8199 17 K 4.3990 8.2802 126.2196 54.7441 34.2748 174.8874 18 D 4.4897 7.9060 118.2123 52.3275 43.0566 175.1524 19 Q 3.6720 8.2398 126.4465 57.0152 29.1442 177.9934 20 G 3.8591 8.1712 105.7180 45.0203 0.0000 173.1776 21 M 4.3421 8.2900 115.3742 53.5151 30.5952 175.9959 22 C 4.8133 7.7188 118.7839 55.1779 47.6982 174.6372 23 G 3.9517 8.7248 119.2303 45.2698 0.0000 173.7596 24 S 4.5394 7.8339 109.9625 58.1646 64.2265 175.9669 25 C 3.9879 8.4545 119.4502 62.0527 28.8504 175.6399 26 W 4.2441 8.4644 118.3973 59.4046 27.3852 177.9763 27 A 3.3625 6.4658 121.3101 54.5279 17.5226 179.6784 28 F 3.7787 7.7191 117.2093 59.7612 39.1673 177.7280 29 S 4.1026 8.3640 113.1970 61.3192 62.1141 176.5220 30 V 3.5895 7.6948 121.0466 66.2322 30.8754 178.0665 31 T 3.8917 8.0840 110.0800 64.7178 68.5017 176.4102 32 G 3.7889 8.2691 108.6708 47.4326 0.0000 175.1654 33 N 4.3897 8.1161 119.1705 56.4690 38.9812 177.1796 34 V 3.6929 8.2192 119.9905 66.0016 31.4480 177.7016 35 E 4.1409 8.9322 118.9070 59.4530 29.3260 179.7035 36 G 3.5869 8.0355 105.1471 47.9046 0.0000 175.8531 37 Q 4.0017 8.3338 120.8505 58.4296 28.7542 178.7670 38 W 4.0326 8.7153 129.8545 60.1201 30.7161 177.8995 39 F 4.4907 8.2920 122.0708 60.8952 38.6877 177.1714 40 L 3.5327 7.7376 117.0797 57.4368 41.4861 178.6403 41 N 4.4512 7.8242 114.2431 54.0252 39.0356 176.3376 42 Q 4.0924 7.8367 116.8844 54.5141 30.2122 176.4890 43 G 3.7414 8.1008 108.4544 45.2631 0.0000 173.6857 44 T 4.7631 7.3314 115.8475 61.4999 71.9932 172.5186 45 L 4.6928 8.8703 127.8880 54.1347 42.5671 175.4243 46 L 4.8736 8.3988 125.6507 52.8369 45.0538 176.0768 47 S 4.5544 8.6200 118.0509 57.9046 63.3189 173.2073 48 L 4.8173 9.0381 127.9711 53.2501 42.8175 176.7946 49 S 4.1967 8.6979 116.2536 57.8182 62.1324 174.8638 50 E 3.7581 8.3079 128.8203 58.8214 29.0915 178.7857 51 Q 3.7886 7.8044 119.5027 58.9146 29.0697 177.5590 52 E 3.1814 7.4071 120.2295 59.2661 29.2552 179.0112 53 L 4.1304 7.0903 115.6579 57.6890 41.3923 179.4971 54 L 4.1736 7.5394 118.2932 57.6180 41.6127 178.5748 55 D 4.7605 8.2889 117.7865 55.7519 41.4157 176.7236 56 C 4.6204 8.6354 114.5935 56.7177 39.9439 173.1867 57 D 4.6632 7.8095 120.3652 52.9734 40.1651 176.5170 58 K 4.4269 8.3663 125.9069 57.3363 32.9405 178.3044 59 M 4.0735 8.0850 118.4231 57.7807 32.1213 176.3041 60 D 4.4449 7.6736 117.5178 53.1618 42.5161 175.7898 61 K 4.6263 7.9720 117.2855 57.4532 34.1516 179.8069 62 A 4.1257 8.2559 128.2625 53.7720 18.5701 181.2527 63 C 4.7609 9.2115 120.6814 61.1172 40.2130 174.1475 64 M 4.3425 8.2189 119.2559 54.8489 31.9655 175.2081 65 G 4.0537 7.8444 106.7211 44.5226 0.0000 173.3741 66 G 2.8623 7.2428 106.8267 43.3529 0.0000 173.1839 67 L 4.6536 8.2522 119.2697 51.6815 44.8760 176.0007 68 P 4.0668 0.0000 0.0000 65.7925 31.1751 178.8078 69 S 4.2917 8.0091 112.3089 61.6558 62.7677 176.2876 70 N 4.2504 7.9938 119.2587 55.8771 38.3444 176.9763 71 A 4.2740 7.7891 123.4113 54.8967 18.5079 179.2348 72 Y 4.2882 7.9090 115.3944 61.3972 37.7347 178.8540 73 S 4.1474 7.8395 112.6408 61.2912 62.7855 175.8009 74 A 4.1085 8.1940 123.4320 55.2257 18.2118 179.5811 75 I 3.5916 7.9420 118.4408 64.3893 37.0729 178.6143 76 K 3.8150 8.1044 120.3437 59.4095 31.8602 178.0070 *78 N 4.8331 7.7963 114.4458 53.6135 40.5449 175.2155 78A L 3.7375 8.2240 117.4730 56.6653 41.6262 178.0658 78B G 4.0919 8.1740 104.7019 44.6415 0.0000 173.1498 79 G 4.2911 6.4155 105.7788 43.2811 0.0000 172.5648 80 L 5.2664 8.7972 120.0261 52.9707 44.7665 177.1450 81 E 4.7902 9.5016 123.4829 55.8139 31.6331 176.1029 82 T 4.5690 8.2164 111.2218 60.9834 70.5044 175.4219 83 E 3.9626 9.2518 123.1630 59.6367 29.2816 178.8075 84 D 4.4827 8.0421 117.6969 57.3279 41.0198 177.7747 85 D 4.7423 7.7536 117.7477 55.3493 42.2278 176.4337 86 Y 4.8350 7.8737 119.6939 55.4083 39.1778 174.1907 87 S 4.7760 8.1569 117.1854 57.0388 64.2139 174.3114 88 Y 4.3651 9.1954 124.6985 57.8227 38.8911 175.4177 89 Q 4.2064 8.9667 125.4436 54.9380 30.6483 176.9064 89A G 3.4363 6.3895 105.0359 45.8857 0.0000 172.7687 89 H 4.5964 9.0667 123.8436 54.2380 30.2483 175.0065 89A M 3.9563 6.3395 115.8358 56.1857 29.4734 174.1687 93 Q 4.6736 8.9492 123.0006 54.0587 33.2110 174.8801 94 S 4.3999 8.3898 112.9111 57.9770 63.8063 174.4974 95 C 4.5492 8.7399 122.3141 57.3319 43.6649 173.2466 96 Q 4.4903 9.2079 125.7519 55.3891 28.6818 175.5869 97 F 4.4980 8.2661 120.4860 58.4119 40.1050 174.4938 98 S 4.2243 8.1678 121.0147 56.1247 64.9255 174.0282 99 A 3.9164 8.8255 131.3741 55.4266 18.0704 178.9740 100 E 4.0919 7.9160 111.0796 58.2839 29.9917 177.7986 101 K 4.0397 7.6804 118.1237 57.3576 32.6155 177.1063 102 A 4.0526 7.3546 122.9357 52.3962 18.7925 177.2830 103 K 4.2294 8.3893 121.1194 56.4868 34.2663 176.5016 *105 V 2.4188 7.6587 117.5788 62.1871 32.1400 173.4306 106 Y 5.1905 6.7046 122.0054 55.2898 41.0031 174.0723 107 I 4.8948 8.3664 113.3379 59.5021 40.5794 175.1509 108 Q 4.4475 8.3873 119.1869 56.9523 30.1601 174.7511 109 D 4.4526 7.5118 113.9494 54.4643 44.3577 174.2097 110 S 4.4456 8.2868 111.5673 57.0754 65.6887 173.4669 111 V 4.4475 7.7353 113.7290 59.6275 35.1073 174.8521 112 E 4.4462 8.5671 122.0611 54.8710 30.6985 176.2240 113 L 4.3183 7.9308 123.5513 52.8815 43.3853 176.3224 114 S 4.2514 8.1050 114.4436 58.6858 62.7447 174.2462 115 Q 4.0965 8.4072 123.1579 57.3306 29.1630 176.3857 116 N 4.3878 8.2696 117.7857 53.5466 39.6519 175.2183 117 E 4.0045 8.8446 128.3527 59.2414 29.6289 179.3137 118 Q 4.0397 8.4564 118.6752 58.8006 28.7437 178.5751 119 K 4.0875 8.2784 119.0900 59.4143 32.0761 179.2745 120 L 4.0341 8.3295 119.3688 57.5929 41.5027 179.4358 121 A 4.0449 8.1553 120.5998 55.1308 18.2424 179.4959 122 A 3.9146 8.1100 119.3340 55.0743 18.3757 179.6904 123 W 3.9467 8.6162 127.1565 60.3537 30.8124 177.9041 124 L 4.7789 8.8860 121.6933 57.9793 41.4514 178.9327 125 A 2.8740 7.9511 119.0130 54.0322 18.1499 178.6307 126 K 4.0567 7.3828 116.7421 57.5176 32.9858 177.7308 127 R 4.1538 8.0903 115.6612 53.9859 31.4795 174.3607 128 G 2.9559 8.2517 104.6463 42.7830 0.0000 171.3912 129 P 4.4870 0.0000 0.0000 63.0576 31.6632 176.0940 130 I 4.4940 8.2490 122.5259 59.3256 39.2433 175.3351 131 S 4.4311 8.5962 119.8915 58.0279 62.9648 173.6281 132 V 4.4777 8.1030 119.4402 59.5490 35.3566 174.7100 133 A 4.6279 8.3650 125.6260 51.3088 20.2993 176.3655 134 I 4.4790 7.7191 118.7719 59.6034 41.0514 173.7537 135 N 4.5930 8.6080 123.3269 52.8234 39.2616 174.3157 136 A 4.2878 8.5589 128.0778 52.8302 18.9109 178.1219 *139 F 4.8326 8.1793 121.8923 59.3218 40.9080 177.6336 140 G 3.7157 8.2652 107.1398 48.3987 0.0000 174.3759 141 M 4.2551 7.9313 119.5238 57.6902 32.4426 178.5502 142 Q 3.8189 7.7195 117.6860 58.3227 28.7683 177.4666 143 F 4.5937 8.0167 112.5836 56.7913 40.2298 175.1730 144 Y 4.2463 7.3603 121.3593 58.6198 38.9256 174.7406 145 R 4.1979 7.3883 123.4784 56.1459 32.4094 175.3873 146 H 3.7321 7.0830 108.8874 55.5571 30.2935 173.3265 147 G 3.7541 8.9181 106.6464 44.6994 0.0000 172.7337 148 I 4.1430 7.8873 119.5555 59.9436 36.8167 176.1376 149 S 4.1738 8.4221 121.1950 58.2482 63.1946 173.4488 *152 R 4.5738 8.4103 126.1658 55.5750 30.0735 172.9134 153 P 4.5503 0.0000 0.0000 61.8229 32.5421 177.3214 154A L 4.1224 8.2358 119.3254 54.7091 42.2877 177.3255 155A R 4.0212 8.8376 122.8561 58.9842 30.0488 174.6145 156A P 4.3590 0.0000 0.0000 62.9582 31.2112 175.8017 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 A 8.26 4.23 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 2 P 0.00 4.28 0.00 2.38 2.15 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.09 0.00 3 P 0.00 4.44 0.00 2.07 2.14 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 4 E 7.54 4.81 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 5 W 8.18 4.26 0.00 3.24 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.37 4.60 0.00 2.50 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 W 8.89 4.45 0.00 3.59 3.30 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 0.00 8 R 8.52 3.95 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 9 S 7.89 4.49 0.00 3.88 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 10 K 7.86 4.37 0.00 2.15 2.10 0.00 0.72 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.01 7.81 11 G 7.84 3.49 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 0.00 12 A 7.89 4.04 1.30 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 0.00 0.00 0.00 13 V 7.23 4.34 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 0.93 0.00 0.00 1.08 0.00 0.00 14 T 8.33 4.27 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 15 K 8.17 4.13 0.00 1.88 1.86 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 16 V 8.14 3.64 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 0.76 0.00 0.00 0.92 0.00 0.00 17 K 8.28 4.40 0.00 1.71 1.72 0.00 1.94 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.61 7.81 18 D 7.91 4.49 0.00 2.48 2.45 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 19 Q 8.24 3.67 0.00 1.90 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.19 1.61 0.00 20 G 8.17 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 21 M 8.29 4.34 0.00 1.99 2.02 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 2.58 2.59 0.00 22 C 7.72 4.81 0.00 3.13 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 23 G 8.72 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 24 S 7.83 4.54 0.00 3.94 4.18 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 25 C 8.45 3.99 0.00 3.22 3.30 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 0.00 26 W 8.46 4.24 0.00 3.62 3.46 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 0.00 27 A 6.47 3.36 0.18 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 28 F 7.72 3.78 0.00 3.16 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 29 S 8.36 4.10 0.00 3.93 4.07 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 30 V 7.69 3.59 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 1.02 0.00 0.00 0.68 0.00 0.00 31 T 8.08 3.89 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 32 G 8.27 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 33 N 8.12 4.39 0.00 2.93 3.13 0.00 0.00 6.89 7.01 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 34 V 8.22 3.69 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 1.10 0.00 0.00 1.10 0.00 0.00 35 E 8.93 4.14 0.00 2.18 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 2.48 2.56 0.00 36 G 8.04 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 37 Q 8.33 4.00 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 38 W 8.72 4.03 0.00 3.43 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 39 F 8.29 4.49 0.00 3.15 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 40 L 7.74 3.53 0.00 1.47 1.51 0.39 0.73 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 41 N 7.82 4.45 0.00 2.57 2.65 0.00 0.00 6.87 7.03 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 42 Q 7.84 4.09 0.00 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.55 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 43 G 8.10 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.33 4.76 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 45 L 8.87 4.69 0.00 1.43 1.54 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.40 4.87 0.00 1.52 1.51 0.89 0.99 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 47 S 8.62 4.55 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.04 4.82 0.00 1.43 1.48 0.84 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.70 4.20 0.00 4.05 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.31 3.76 0.00 1.44 1.17 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 1.47 1.65 0.00 51 Q 7.80 3.79 0.00 2.14 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 52 E 7.41 3.18 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 53 L 7.09 4.13 0.00 1.57 1.63 0.72 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.54 4.17 0.00 1.72 1.75 0.92 1.03 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 55 D 8.29 4.76 0.00 2.77 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 56 C 8.64 4.62 0.00 2.94 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 57 D 7.81 4.66 0.00 2.76 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 58 K 8.37 4.43 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.39 7.81 59 M 8.08 4.07 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 60 D 7.67 4.44 0.00 2.22 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.97 4.63 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.23 1.42 7.81 62 A 8.26 4.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.21 4.76 0.00 3.08 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 64 M 8.22 4.34 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 65 G 7.84 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 0.00 0.00 0.00 66 G 7.24 2.86 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 67 L 8.25 4.65 0.00 1.43 1.44 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.07 0.00 2.10 1.92 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 69 S 8.01 4.29 0.00 4.09 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 0.00 70 N 7.99 4.25 0.00 2.95 2.82 0.00 0.00 7.00 7.08 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 71 A 7.79 4.27 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 72 Y 7.91 4.29 0.00 3.04 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 73 S 7.84 4.15 0.00 3.86 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 74 A 8.19 4.11 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 75 I 7.94 3.59 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.97 0.00 0.00 76 K 8.10 3.82 0.00 1.90 2.02 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 *78 N 7.80 4.83 0.00 2.84 2.94 0.00 0.00 7.38 7.78 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 78A L 8.22 3.74 0.00 1.25 0.53 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 78B G 8.17 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 79 G 6.42 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 80 L 8.80 5.27 0.00 1.45 1.48 0.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.50 4.79 0.00 2.10 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 2.29 2.29 0.00 82 T 8.22 4.57 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 1.17 0.00 0.00 83 E 9.25 3.96 0.00 2.03 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 2.33 2.43 0.00 84 D 8.04 4.48 0.00 2.69 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 85 D 7.75 4.74 0.00 2.63 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.87 4.83 0.00 3.02 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 87 S 8.16 4.78 0.00 4.09 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 88 Y 9.20 4.37 0.00 2.98 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 89 Q 8.97 4.21 0.00 1.70 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 89A G 6.39 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 89 H 9.07 4.60 0.00 2.87 2.94 0.00 7.24 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89A M 6.34 3.96 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 93 Q 8.95 4.67 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 94 S 8.39 4.40 0.00 4.01 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 95 C 8.74 4.55 0.00 3.21 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 96 Q 9.21 4.49 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.19 2.43 0.00 97 F 8.27 4.50 0.00 3.17 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 98 S 8.17 4.22 0.00 3.62 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 99 A 8.83 3.92 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 0.00 100 E 7.92 4.09 0.00 2.05 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 2.19 2.25 0.00 101 K 7.68 4.04 0.00 1.79 1.78 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.23 7.81 102 A 7.35 4.05 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 0.00 103 K 8.39 4.23 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81 *105 V 7.66 2.42 1.58 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 0.70 0.00 0.00 -0.25 0.00 0.00 106 Y 6.70 5.19 0.00 3.06 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 0.00 107 I 8.37 4.89 1.95 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 1.53 0.84 1.02 0.00 0.00 108 Q 8.39 4.45 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 109 D 7.51 4.45 0.00 2.56 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 0.00 110 S 8.29 4.45 0.00 3.11 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 0.00 111 V 7.74 4.45 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 0.78 0.00 0.00 0.90 0.00 0.00 112 E 8.57 4.45 0.00 1.92 1.84 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 2.24 2.31 0.00 113 L 7.93 4.32 0.00 1.35 1.24 -0.47 0.29 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 0.00 114 S 8.11 4.25 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.41 4.10 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 116 N 8.27 4.39 0.00 2.76 2.73 0.00 0.00 7.04 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 0.00 117 E 8.84 4.00 0.00 2.07 2.01 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 2.41 2.41 0.00 118 Q 8.46 4.04 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 119 K 8.28 4.09 0.00 2.01 1.91 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.71 7.81 120 L 8.33 4.03 0.00 1.87 1.76 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.16 4.04 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 0.00 122 A 8.11 3.91 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 0.00 123 W 8.62 3.95 0.00 3.55 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.89 4.78 0.00 2.15 2.05 1.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.95 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.38 4.06 0.00 1.50 1.69 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.12 1.29 7.81 127 R 8.09 4.15 0.00 0.67 0.77 0.00 2.21 0.00 0.00 2.68 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.71 0.00 128 G 8.25 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 0.00 0.00 0.00 129 P 0.00 4.49 0.00 2.08 2.11 0.00 3.34 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 130 I 8.25 4.49 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 0.77 0.00 0.00 131 S 8.60 4.43 0.00 3.95 3.91 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 0.00 132 V 8.10 4.48 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 0.79 0.00 0.00 0.96 0.00 0.00 133 A 8.37 4.63 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.72 4.48 1.88 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 1.32 0.76 0.93 0.00 0.00 135 N 8.61 4.59 0.00 2.76 2.77 0.00 0.00 6.98 7.96 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 0.00 136 A 8.56 4.29 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *139 F 8.18 4.83 0.00 3.33 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 0.00 140 G 8.27 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 7.93 4.26 0.00 2.10 2.22 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 2.56 2.35 0.00 142 Q 7.72 3.82 0.00 1.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 143 F 8.02 4.59 0.00 2.85 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 0.00 144 Y 7.36 4.25 0.00 3.11 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 0.00 145 R 7.39 4.20 0.00 1.65 1.86 0.00 3.45 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 146 H 7.08 3.73 0.00 3.12 3.05 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.92 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 0.00 148 I 7.89 4.14 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 1.35 0.64 0.94 0.00 0.00 149 S 8.42 4.17 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 *152 R 8.41 4.57 0.00 1.92 1.93 0.00 3.14 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 153 P 0.00 4.55 0.00 2.40 2.24 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 154A L 8.24 4.12 0.00 1.64 1.63 0.92 0.90 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 155A R 8.84 4.02 0.00 1.73 1.96 0.00 3.29 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 156A P 0.00 4.36 0.00 2.14 1.98 0.00 3.70 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 1.92 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.