NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8089 8.3544 109.7366 45.0269 0.0000 173.1570 2 D 4.3075 8.5003 119.4296 52.3515 40.7435 174.1394 3 T 4.4715 9.0839 117.3381 61.1733 71.3296 174.4844 4 R 3.9694 7.5105 120.9805 56.1018 30.6192 174.7094 5 P 4.3441 0.0000 0.0000 62.6036 32.2464 175.7970 6 R 4.4461 7.7180 118.1277 54.5323 32.3348 175.8822 7 F 4.7683 8.3341 117.5047 55.7342 42.2087 174.1270 8 L 4.9866 8.4220 127.2026 53.0528 44.6951 175.4157 9 W 5.5123 8.6962 133.0590 56.0721 33.6932 173.9521 10 Q 4.6524 8.2988 125.4182 53.9030 32.3137 174.2792 11 L 4.9026 8.1764 122.6816 53.3596 45.3991 175.4962 12 K 4.5661 8.8782 125.1415 54.5855 36.0132 175.1132 13 F 5.1586 9.1066 123.6424 56.0276 40.8712 174.5802 14 E 4.6760 9.2327 124.7946 54.8465 31.5407 174.6743 15 C 4.9434 8.9005 122.6135 55.7785 41.5258 172.8333 16 H 4.6593 8.9234 122.6391 54.1460 30.1704 174.1727 17 F 5.1296 8.4641 121.9507 55.6106 41.3441 175.1336 18 F 4.6108 8.5895 120.6220 56.0703 42.4853 174.0663 19 N 4.3761 9.5796 122.3649 54.7775 37.6391 174.2568 20 G 3.9150 7.6619 115.4048 46.9776 0.0000 172.7901 21 T 4.4330 8.3368 114.9435 61.2853 67.6513 174.8626 22 E 4.0310 8.2504 121.4931 58.2345 30.3170 176.0562 23 R 4.6778 8.0209 119.1772 54.3733 32.5080 173.9896 24 V 4.9295 8.5522 125.7090 61.0536 34.5498 174.4205 25 R 4.6191 8.8130 126.8143 54.5206 33.1610 173.3421 26 L 5.0392 9.3213 129.2235 53.6090 44.2755 174.7511 27 L 5.0834 9.2216 128.6245 53.3618 44.5595 174.1517 28 E 4.8951 9.6306 129.2480 55.0129 31.1718 175.0838 29 R 5.1123 9.0302 123.3167 54.7050 33.2647 173.6523 30 C 4.7740 8.9936 120.0473 58.0526 30.9665 172.8244 31 I 4.4049 7.4634 123.1627 60.7839 39.8613 174.1931 32 Y 4.5393 9.3662 131.0156 58.8747 37.8104 175.9165 33 N 4.2535 7.9480 117.3103 54.3377 40.4428 175.6718 34 Q 4.5169 7.6517 116.2795 55.3820 30.6923 174.4335 35 E 4.6408 7.8515 115.4319 53.7730 32.5344 174.6425 36 E 4.4555 8.8327 125.0401 56.2640 29.7503 175.7444 37 S 4.6778 9.0023 121.5811 59.5110 64.5169 174.1978 38 V 4.7672 7.4368 119.7594 60.5746 35.5716 173.3484 39 R 5.2283 8.4930 118.0182 55.7165 33.3734 173.4125 40 F 4.8986 9.4822 122.4751 56.5204 42.4240 172.7955 41 D 5.2246 7.8674 126.3378 52.2670 42.2692 177.2516 42 S 3.9845 8.9136 121.8181 61.0460 63.2884 175.5159 43 D 4.3831 8.1659 120.8315 56.7752 40.7711 177.7087 44 V 3.5764 7.3493 117.8512 63.3784 31.7866 176.9399 45 G 3.8845 9.5459 106.8124 44.9328 0.0000 172.1322 46 E 4.8032 6.6878 114.8884 55.1644 31.9506 174.4233 47 Y 4.7980 9.0055 117.9540 58.4122 38.7632 175.9949 48 R 4.8508 9.1331 120.4403 54.3741 34.6161 174.5031 49 A 4.3804 8.7936 125.1398 52.1199 18.7598 177.3723 50 V 4.2352 9.8830 121.5376 63.9509 32.8104 175.9396 51 T 4.7967 7.6302 108.6442 58.6889 72.0094 174.3563 52 E 3.9547 8.8005 121.6059 59.5777 29.1214 179.5544 53 L 4.1140 8.0593 117.9785 57.2954 42.0578 178.7832 54 G 3.8302 8.4761 105.0181 45.7826 0.0000 175.8148 55 R 3.9194 7.6752 121.0498 59.2269 30.0592 176.7605 56 P 4.1721 0.0000 0.0000 65.7249 31.2863 178.4388 57 D 3.4825 7.6602 116.7039 56.8277 40.6894 178.3067 58 A 4.0440 7.5285 120.9080 55.3789 18.1998 179.5247 59 E 3.9361 7.9323 115.4501 59.6944 29.7970 178.7657 60 Y 4.3566 8.1255 119.6878 60.6201 38.8368 177.9312 61 W 4.1191 8.1859 119.9840 59.9491 29.0300 178.2052 62 N 4.6245 8.2799 114.8515 55.4472 38.0106 175.8300 63 S 4.4966 7.8245 113.8390 58.4845 63.5842 174.9370 64 Q 4.4404 8.1918 121.4303 53.4980 30.2314 175.6999 65 K 3.9810 8.4695 125.4572 59.3552 32.1340 178.3497 66 D 4.3837 8.2146 118.6906 57.4663 40.7425 178.7012 67 L 3.8621 7.8220 119.7553 58.3377 42.2093 178.8083 68 L 3.9489 7.9554 118.8302 57.6084 41.4335 179.2872 69 E 3.8746 8.6645 119.6656 59.2547 29.4178 178.4409 70 Q 3.8904 7.4585 118.0472 59.4762 29.4877 178.4143 71 R 3.7269 7.7669 118.7700 59.2148 29.7180 179.3542 72 R 4.1154 8.1400 117.1265 58.9986 30.4130 178.2359 73 A 4.2620 8.2443 118.5009 53.0674 18.4838 179.0326 74 A 4.0730 7.8246 119.9826 54.7857 18.4433 180.1290 75 V 3.5966 8.0165 110.5517 64.1436 31.6913 176.7235 76 D 4.6819 7.7666 119.5576 56.2938 41.2044 178.6002 77 T 3.9489 7.8815 111.5322 64.9584 68.9516 173.8168 78 Y 4.5684 7.9505 119.9584 59.7147 40.1083 177.5923 79 C 4.2583 9.1123 117.1828 60.6054 37.5977 176.5150 80 R 4.0297 8.5144 119.1558 59.5998 29.8318 178.7749 81 H 4.1313 8.1755 117.5960 59.5410 29.8243 177.0631 82 N 4.1944 8.3529 118.3641 56.2343 38.0383 176.4857 83 Y 3.8251 8.2031 121.1319 60.8563 38.8147 178.7774 84 G 3.5684 8.1817 106.3113 47.6249 0.0000 175.3762 85 V 3.7134 7.4118 119.9259 65.0592 31.4949 177.2675 86 G 3.2131 7.2313 105.5526 44.6889 0.0000 174.5672 87 E 3.4217 7.5850 123.8651 58.5076 29.8526 179.2521 88 S 4.0497 7.9124 112.6978 60.6603 62.9659 174.8174 89 F 4.7140 7.3462 112.4744 56.1843 37.6864 174.9525 90 T 4.4798 6.6541 109.1621 63.2502 71.2379 176.2724 91 V 3.5263 7.4921 123.5255 64.7314 31.8099 177.1793 92 Q 4.3789 7.7191 115.5657 55.5976 29.1846 175.9317 93 R 4.0671 7.5061 120.0185 56.4527 30.5205 175.9211 94 R 5.0421 8.4634 123.0522 54.5710 34.1689 174.5976 95 V 4.4781 9.2543 122.0190 60.8258 34.6694 174.1539 96 E 4.8772 9.3428 129.5983 55.4248 30.0569 174.5684 97 P 4.8746 0.0000 0.0000 62.6542 32.9962 175.4696 98 K 4.5048 8.9743 121.8807 55.4513 33.5491 175.8205 99 V 5.0183 8.3133 124.5194 61.5653 34.4566 174.3915 100 T 4.8015 8.6382 119.8356 60.9515 71.3191 172.1745 101 V 5.2067 8.5917 127.1201 61.3344 34.2080 174.0484 102 Y 5.2055 8.1186 124.4381 54.7753 41.6806 172.4179 103 P 4.4510 0.0000 0.0000 62.5268 32.0931 176.0601 104 S 4.3069 8.8315 117.9687 58.0545 63.3929 173.3493 105 K 4.6559 8.3471 120.4393 56.7240 33.0933 178.0504 106 T 4.5043 7.2941 111.1759 61.6838 71.4280 178.4493 107 Q 3.6247 8.5537 127.4374 56.3667 27.5573 171.1560 *111 H 4.7234 8.3210 119.0673 57.6773 30.3424 172.5084 112 H 4.9929 7.8541 114.4255 53.9759 31.5711 173.5133 113 N 4.8104 8.6448 119.8404 51.6682 41.7078 172.9594 114 L 4.3777 8.2838 128.4172 53.8777 43.4737 174.9066 115 L 4.2350 7.9712 127.4581 53.5841 43.6118 175.9948 116 V 4.4759 8.0423 123.0955 61.1324 34.2726 173.5195 117 C 4.8642 8.8274 127.4683 54.9176 41.4509 172.0759 118 S 5.1048 8.8020 122.4270 57.3516 63.7878 172.9542 119 V 4.6709 9.0569 127.0636 61.3159 34.0443 174.1762 120 S 5.2391 8.9374 122.2172 56.2331 67.2036 173.9416 121 G 4.3480 8.7089 105.2474 47.4126 0.0000 173.3287 122 F 5.2940 7.4817 113.7387 55.6026 41.0801 173.8118 123 Y 4.8720 8.5401 117.8365 56.2577 42.6816 172.8936 124 P 2.9700 0.0000 0.0000 61.6411 32.2131 176.1622 125 G 2.5915 7.5743 108.3729 47.8186 0.0000 174.4710 126 S 4.0567 7.5837 114.7835 58.4516 63.0652 173.2015 127 I 4.6347 7.9141 124.5068 59.1756 41.3609 173.6336 128 E 4.5362 9.2698 129.0001 54.6251 32.0363 174.6516 129 V 4.8440 8.3494 120.3503 59.6254 34.0949 175.5902 130 R 4.7960 9.1818 123.8372 54.2146 34.9875 174.1056 131 W 5.5652 8.6967 120.5097 55.4577 31.5819 175.2644 132 F 5.3490 10.3518 122.2932 55.6981 43.1860 174.2333 133 R 4.6246 8.6821 120.8505 54.7249 32.7427 175.1283 134 N 4.1388 9.9670 126.3359 54.4370 36.7161 175.5651 135 G 4.0573 9.1863 103.3716 45.2832 0.0000 173.6377 136 Q 4.6060 8.0937 117.4038 54.4255 31.3145 173.7619 137 E 2.9469 7.9434 122.7594 54.0059 31.7669 176.6260 138 E 4.6049 7.7783 122.7526 53.8742 29.9850 175.9726 139 K 3.9465 8.3301 121.1570 59.2262 32.6968 177.9046 140 A 4.2095 7.6159 119.7192 52.4644 19.2773 175.6564 141 G 4.1709 8.8024 107.5244 45.5466 0.0000 175.1419 142 V 4.1037 7.2620 110.8385 61.9388 32.5869 176.4860 143 V 4.4087 8.5272 122.2351 61.9374 34.9304 173.4377 144 S 5.2208 8.7851 122.1742 57.1683 64.4057 173.2543 145 T 4.1980 8.5418 117.5778 62.1599 68.0906 175.2788 146 G 3.9378 8.3244 106.2994 44.4301 0.0000 172.1193 147 L 4.4750 8.1311 120.7983 54.4927 42.9352 175.6449 148 I 4.4746 8.7024 127.4316 59.6178 39.6510 174.3395 149 Q 3.6970 8.4776 128.6461 54.5174 29.0598 175.2993 150 N 4.2688 8.3488 125.1022 54.6367 38.8233 176.6263 151 G 3.9077 8.1977 105.9874 45.0107 0.0000 173.1915 152 D 4.9942 7.3327 118.1825 52.7014 39.8582 175.5865 153 W 3.4295 8.1921 115.7638 58.6956 26.4316 174.1501 154 T 5.0260 7.5392 110.7466 60.7070 70.7188 172.3203 155 F 5.0488 9.1986 126.6249 55.8377 42.9673 174.0400 156 Q 5.2562 8.4747 117.0591 56.0110 32.2431 173.1729 157 T 4.8474 8.9883 113.1281 61.5030 71.9087 171.8380 158 L 5.1864 8.4319 125.0308 52.9165 45.7630 175.5933 159 V 4.4613 8.6545 123.2569 61.3704 34.0938 174.8652 160 M 4.9597 9.0429 128.4577 55.2516 34.0581 176.1342 161 L 4.1436 8.3443 122.8474 53.8744 44.6675 174.5047 162 E 4.4082 8.5187 127.1565 56.5033 30.2097 176.5730 163 T 4.4787 8.5171 113.2919 60.1692 73.0622 173.0141 164 V 4.6936 8.1129 122.1659 59.7041 31.4693 172.9104 165 P 4.8792 0.0000 0.0000 62.4770 32.2705 176.9513 166 R 4.6054 9.0512 118.5651 54.1934 33.9598 174.7796 167 S 4.3657 8.2650 116.0224 59.4861 62.6099 173.2017 168 G 4.1106 8.9173 114.8116 45.6184 0.0000 173.7454 169 E 4.2953 8.3352 118.7714 56.5060 31.1029 176.7297 170 V 4.8100 8.1309 120.0749 61.7464 34.9102 173.5687 171 Y 5.2247 9.1180 126.4581 56.9204 40.0059 174.8738 172 T 5.1878 9.3601 121.7328 62.0317 71.8248 172.8118 173 C 4.3079 9.1088 126.8679 54.9671 43.1880 171.8578 174 Q 4.8995 9.2666 129.1575 54.5863 30.8724 174.3530 175 V 4.7820 8.9110 125.6702 61.0650 34.8924 173.7149 176 E 4.9734 9.3357 127.5096 54.8153 32.2804 174.5323 177 H 4.9070 8.5896 122.6658 54.1693 33.0136 172.1928 178 P 4.1770 0.0000 0.0000 65.8265 31.5525 177.9072 179 S 4.3656 8.1359 111.5559 59.9952 63.3138 174.0337 180 V 4.7166 7.6664 114.4051 59.4661 34.7715 175.7717 181 T 3.9901 8.8278 115.0037 64.3091 68.9933 174.6773 182 S 4.7883 7.5864 115.8047 54.5936 65.1931 171.8027 183 P 4.5052 0.0000 0.0000 63.4343 31.8981 175.3290 184 L 4.6525 8.8621 122.2137 54.0800 43.3722 175.8585 185 T 5.0255 8.2975 112.2394 59.9183 72.0746 173.3533 186 V 4.3950 8.3849 123.0547 61.4691 34.4447 174.2765 187 E 5.2444 8.9965 127.1317 54.9052 32.0674 175.5906 188 W 4.7920 9.2896 131.6520 55.6405 33.4361 174.5959 189 R 4.2943 8.0572 127.1382 55.6427 30.5443 176.7541 190 A 4.4051 9.0876 125.9189 52.1707 18.8008 176.9585 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 8.35 3.81 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 0.00 0.00 0.00 2 D 8.50 4.31 0.00 2.73 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 3 T 9.08 4.47 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 1.26 0.00 0.00 4 R 7.51 3.97 0.00 1.85 1.98 0.00 3.19 0.00 0.00 3.60 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 5 P 0.00 4.34 0.00 1.80 1.97 0.00 3.80 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 2.11 2.10 0.00 6 R 7.72 4.45 0.00 1.61 1.77 0.00 3.28 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 7 F 8.33 4.77 0.00 3.11 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.42 4.99 0.00 1.60 1.41 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.70 5.51 0.00 3.59 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 10 Q 8.30 4.65 0.00 1.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 11 L 8.18 4.90 0.00 1.60 1.52 0.52 0.75 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 12 K 8.88 4.57 0.00 1.59 1.62 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.27 7.81 13 F 9.11 5.16 0.00 3.04 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 14 E 9.23 4.68 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 15 C 8.90 4.94 0.00 2.91 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 16 H 8.92 4.66 0.00 3.19 2.95 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.46 5.13 0.00 2.88 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 F 8.59 4.61 0.00 3.02 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 19 N 9.58 4.38 0.00 2.95 2.86 0.00 0.00 7.10 7.94 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 20 G 7.66 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 0.00 0.00 0.00 21 T 8.34 4.43 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 1.13 0.00 0.00 22 E 8.25 4.03 0.00 2.24 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 2.34 2.26 0.00 23 R 8.02 4.68 0.00 1.87 1.80 0.00 2.65 0.00 0.00 2.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 24 V 8.55 4.93 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 0.63 0.00 0.00 0.96 0.00 0.00 25 R 8.81 4.62 0.00 1.98 1.94 0.00 3.32 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 26 L 9.32 5.04 0.00 1.89 1.70 1.21 0.32 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 27 L 9.22 5.08 0.00 1.83 1.63 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.63 4.90 0.00 2.21 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 2.19 1.69 0.00 29 R 9.03 5.11 0.00 1.74 2.13 0.00 2.81 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 30 C 8.99 4.77 0.00 2.94 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 31 I 7.46 4.40 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.84 0.86 0.00 0.00 32 Y 9.37 4.54 0.00 2.99 2.85 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 33 N 7.95 4.25 0.00 2.48 2.54 0.00 0.00 6.53 7.69 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 34 Q 7.65 4.52 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 35 E 7.85 4.64 0.00 2.08 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 2.30 2.27 0.00 36 E 8.83 4.46 0.00 1.91 1.87 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 2.31 2.42 0.00 37 S 9.00 4.68 0.00 4.01 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 38 V 7.44 4.77 2.38 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 1.33 0.00 0.00 1.06 0.00 0.00 39 R 8.49 5.23 0.00 2.06 2.22 0.00 2.77 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 40 F 9.48 4.90 0.00 2.27 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 41 D 7.87 5.22 0.00 2.62 2.26 0.00 0.00 0.00 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7.53 4.04 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 59 E 7.93 3.94 0.00 2.09 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 2.48 0.00 60 Y 8.13 4.36 0.00 2.87 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 61 W 8.19 4.12 0.00 3.25 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 62 N 8.28 4.62 0.00 3.07 3.01 0.00 0.00 7.10 7.72 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 63 S 7.82 4.50 0.00 4.02 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 64 Q 8.19 4.44 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 65 K 8.47 3.98 0.00 1.85 1.87 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.62 7.81 66 D 8.21 4.38 0.00 2.67 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 67 L 7.82 3.86 0.00 1.71 1.91 0.79 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.96 3.95 0.00 1.94 1.75 1.18 0.88 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 69 E 8.66 3.87 0.00 2.10 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 2.30 2.32 0.00 70 Q 7.46 3.89 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 71 R 7.77 3.73 0.00 1.64 0.88 0.00 2.92 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.74 0.00 72 R 8.14 4.12 0.00 1.91 2.05 0.00 3.28 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 73 A 8.24 4.26 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.07 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.88 0.00 0.00 120 S 8.94 5.24 0.00 3.97 4.03 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 0.00 121 G 8.71 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.48 5.29 0.00 2.98 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 0.00 123 Y 8.54 4.87 0.00 3.43 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 0.00 124 P 0.00 2.97 0.00 1.66 1.49 0.00 3.60 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.18 0.00 125 G 7.57 2.59 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 0.00 126 S 7.58 4.06 0.00 3.90 3.81 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 0.00 127 I 7.91 4.63 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.04 0.76 0.00 0.00 128 E 9.27 4.54 0.00 1.97 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 2.18 2.22 0.00 129 V 8.35 4.84 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 0.64 0.00 0.00 0.80 0.00 0.00 130 R 9.18 4.80 0.00 2.03 1.87 0.00 3.26 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 131 W 8.70 5.57 0.00 3.32 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 0.00 132 F 10.35 5.35 0.00 2.98 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 0.00 133 R 8.68 4.62 0.00 1.86 1.75 0.00 3.26 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 0.00 134 N 9.97 4.14 0.00 2.83 2.83 0.00 0.00 7.22 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.19 4.06 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 0.00 0.00 0.00 136 Q 8.09 4.61 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.28 0.00 137 E 7.94 2.95 0.00 1.61 1.69 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 2.14 2.20 0.00 138 E 7.78 4.60 0.00 2.21 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 139 K 8.33 3.95 0.00 1.72 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.36 7.81 140 A 7.62 4.21 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 0.00 141 G 8.80 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.26 4.10 2.18 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 0.86 0.00 0.00 1.04 0.00 0.00 143 V 8.53 4.41 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 0.97 0.00 0.00 144 S 8.79 5.22 0.00 3.93 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 0.00 145 T 8.54 4.20 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 1.33 0.00 0.00 146 G 8.32 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 0.00 147 L 8.13 4.48 0.00 1.74 1.68 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.70 4.47 2.05 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 1.14 0.60 0.88 0.00 0.00 149 Q 8.48 3.70 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.10 0.00 0.00 0.00 0.00 0.00 1.81 1.17 0.00 150 N 8.35 4.27 0.00 2.93 2.77 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.20 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 0.00 0.00 0.00 152 D 7.33 4.99 0.00 2.79 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 0.00 153 W 8.19 3.43 0.00 3.30 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 0.00 154 T 7.54 5.03 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 155 F 9.20 5.05 0.00 1.51 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 0.00 0.00 0.00 156 Q 8.47 5.26 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 157 T 8.99 4.85 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 158 L 8.43 5.19 0.00 1.63 1.53 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.65 4.46 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 1.10 0.00 0.00 0.93 0.00 0.00 160 M 9.04 4.96 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 161 L 8.34 4.14 0.00 0.34 0.13 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.52 4.41 0.00 1.78 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 2.20 2.16 0.00 163 T 8.52 4.48 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 0.38 0.00 0.00 164 V 8.11 4.69 2.04 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 0.76 0.00 0.00 0.69 0.00 0.00 165 P 0.00 4.88 0.00 2.36 2.14 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 166 R 9.05 4.61 0.00 1.96 1.82 0.00 3.33 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 167 S 8.27 4.37 0.00 3.84 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 0.00 168 G 8.92 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 0.00 0.00 0.00 0.00 169 E 8.34 4.30 0.00 2.00 1.60 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 2.27 2.41 0.00 170 V 8.13 4.81 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 1.13 0.00 0.00 0.92 0.00 0.00 171 Y 9.12 5.22 0.00 3.20 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 0.00 172 T 9.36 5.19 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 1.14 0.00 0.00 173 C 9.11 4.31 0.00 1.36 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 0.00 174 Q 9.27 4.90 0.00 1.75 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 175 V 8.91 4.78 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 0.75 0.00 0.00 0.75 0.00 0.00 176 E 9.34 4.97 0.00 1.84 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 2.17 2.19 0.00 177 H 8.59 4.91 0.00 2.98 2.98 0.00 5.70 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 0.00 178 P 0.00 4.18 0.00 1.90 2.05 0.00 2.99 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 1.84 1.98 0.00 179 S 8.14 4.37 0.00 4.10 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 0.00 180 V 7.67 4.72 2.19 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 0.76 0.00 0.00 1.07 0.00 0.00 181 T 8.83 3.99 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 1.21 0.00 0.00 182 S 7.59 4.79 0.00 3.95 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 0.00 183 P 0.00 4.51 0.00 2.00 2.05 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 184 L 8.86 4.65 0.00 1.51 1.56 0.87 0.47 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 0.00 185 T 8.30 5.03 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 186 V 8.38 4.40 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 1.19 0.00 0.00 0.93 0.00 0.00 187 E 9.00 5.24 0.00 1.96 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 2.31 2.33 0.00 188 W 9.29 4.79 0.00 3.67 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 0.00 189 R 8.06 4.29 0.00 1.44 1.71 0.00 3.37 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 190 A 9.09 4.41 1.55 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.