NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5275 8.1933 115.4262 58.2795 64.9151 175.4904 1 L 3.8965 8.4602 121.2918 56.2199 42.3136 177.1163 2 S 4.2161 8.2604 113.0979 61.5423 62.9239 175.1721 3 H 4.3520 8.3609 120.5908 59.1488 29.5741 177.2890 4 K 4.0620 8.1301 120.0296 59.1399 31.9566 179.1105 5 A 4.2982 8.1295 122.6496 54.5698 18.2955 179.7840 6 W 4.0534 8.3746 117.3904 59.5909 29.0781 178.8391 7 Q 4.0763 8.2931 118.2397 59.1100 27.9689 178.5463 8 N 4.3103 8.1776 115.9376 56.4494 38.6907 177.0102 9 A 4.3538 7.8786 120.6837 55.5350 18.7893 179.0321 10 H 4.5945 9.0149 114.8981 58.9277 27.1877 178.1370 11 A 3.8981 8.0660 118.4352 53.5467 17.8823 178.2698 *13 Y 5.3574 7.7265 122.6615 59.0495 40.6137 177.1303 14 E 4.0730 8.4185 118.7067 58.4557 29.6604 177.0222 15 N 4.9119 7.4629 115.5034 52.3188 37.8061 175.5341 16 D 4.6111 7.9827 120.5691 54.0866 40.7202 174.8942 17 A 3.9824 8.0963 128.3063 54.4314 18.6284 178.4359 18 C 3.9866 8.0992 116.8488 62.5749 31.6009 175.5050 19 A 3.9966 8.2909 122.1153 55.2758 18.0788 179.7280 20 K 3.8684 7.8784 116.7428 59.5944 31.8625 179.4715 21 A 4.0476 8.2517 120.4418 54.7842 18.4027 178.7675 22 L 4.3837 8.0637 114.7622 54.1568 42.0010 177.1786 23 G 3.9174 7.9299 106.9192 46.4754 0.0000 173.8876 24 I 4.2871 8.1653 121.2174 60.9308 37.8035 175.4704 25 D 4.9570 8.8437 126.4648 52.5353 43.9354 175.1680 26 I 4.5837 7.7843 122.8049 60.1309 37.9464 175.5127 27 I 4.6568 8.3930 118.8419 61.0385 39.8708 174.7888 28 S 4.5297 7.4450 115.9464 57.4066 65.5020 171.3823 *30 D 4.7764 8.2072 121.0247 53.3973 41.7601 173.3817 31 E 4.2043 8.6075 121.8085 57.2557 29.9814 176.3907 32 G 4.1520 10.3399 114.3450 45.8278 0.0000 172.1431 33 F 5.3979 8.1323 119.4596 56.8877 42.8005 173.2866 34 A 4.5099 7.7880 125.8496 50.6401 23.2713 175.0830 35 V 4.5843 8.0464 119.3289 61.2500 34.9360 174.9463 36 V 4.8309 8.7800 119.9822 60.1228 36.7482 173.7933 37 T 5.6572 8.2063 115.3467 60.4503 71.6333 172.2429 *39 T 4.5684 8.2644 119.0490 63.2171 69.8621 174.2807 40 V 3.9528 8.4644 126.7057 62.7697 32.2983 175.8167 41 T 4.6108 8.4434 118.0842 60.0332 70.5227 174.7227 42 A 4.1527 8.5339 125.0520 55.4727 18.4811 178.8146 43 Q 3.9254 8.0384 115.7866 56.1190 29.3444 177.0639 *45 L 4.2057 7.8186 116.0378 54.6173 43.4195 177.4610 46 N 4.6403 8.5719 120.3523 51.9898 39.4924 175.6854 47 G 3.7075 8.3538 106.0175 47.8354 0.0000 173.6890 48 H 4.7970 8.7317 116.4212 55.0361 29.2828 174.1865 49 Q 3.6471 8.0048 116.9587 57.3016 26.5438 173.0971 50 S 4.9452 7.9341 110.7055 56.1034 65.8138 172.4986 51 C 4.4624 8.7126 126.3423 59.7335 32.1575 173.2075 52 H 4.2298 8.8370 122.5579 55.7056 29.0899 176.5464 53 G 3.6730 9.0160 109.2500 48.2087 0.0000 176.2477 54 G 3.7506 8.2008 107.7736 47.5410 0.0000 175.6195 55 Q 4.1291 8.1130 119.7825 58.6634 28.9061 178.3601 56 L 4.0073 8.0162 119.9504 57.9043 41.7778 179.0985 57 F 4.1182 9.5752 121.4711 61.7753 39.2488 177.4177 58 S 4.2413 8.3343 114.5978 61.2297 62.7179 176.4286 59 L 3.8940 8.0009 123.1456 58.0576 41.7733 178.9168 60 A 3.6355 7.7482 120.7687 54.8297 18.0633 178.9876 61 D 4.0600 7.5787 116.4099 57.0510 41.2246 178.7983 62 T 3.9329 7.7522 116.4027 66.5372 68.5431 176.5834 63 A 3.9406 7.7213 122.3787 54.9154 18.2485 179.3563 64 F 4.2367 8.3679 119.2690 61.5659 39.3782 177.0710 65 A 3.4377 8.0154 120.4692 55.2592 18.1415 179.3045 66 Y 3.4337 8.0021 114.7479 60.9770 37.6338 178.4788 67 A 4.0233 8.0105 121.9245 55.0458 18.3809 178.6962 68 C 4.0205 7.3569 111.0512 58.2619 30.3653 174.3562 69 N 4.6910 7.4375 118.5880 53.3042 38.7289 176.3485 70 S 4.2179 7.6508 116.7257 60.8319 63.0423 175.5463 71 Q 4.1381 7.9303 119.4100 56.5801 28.5548 176.5934 72 G 3.8948 8.5445 107.6658 44.8348 0.0000 172.7607 73 L 4.8182 7.4128 119.3475 52.3311 43.1199 176.0234 74 A 4.2600 8.2264 125.9749 52.8729 19.1909 176.0428 75 A 4.9146 8.5867 122.3551 50.8488 22.8091 175.6878 76 V 4.4557 8.4578 112.2999 59.0356 36.6736 174.7052 77 A 4.9490 8.5488 124.2556 52.2694 18.3065 177.7726 78 S 4.6147 9.0420 117.4509 59.5729 64.4988 173.9846 79 A 4.6061 7.4991 120.1684 51.7181 22.1433 174.4718 80 C 4.8978 8.1038 112.7281 58.0506 32.0587 173.1252 81 T 4.5897 7.6844 109.0126 59.8607 71.9850 172.5723 82 I 4.8746 8.1341 123.1374 59.3255 41.1606 173.7699 83 D 4.7804 8.7923 129.3574 52.7025 42.7929 175.4304 84 F 4.7422 8.7795 123.1226 57.0408 39.0661 175.2570 85 L 4.6680 9.2860 124.5172 55.7053 43.4574 177.4472 86 R 4.7023 7.7234 114.5631 53.6493 34.2011 172.9166 87 P 4.2534 0.0000 0.0000 62.5192 32.5826 176.0252 88 G 3.8402 8.2400 109.3465 45.0186 0.0000 173.0269 89 F 5.2761 8.7143 124.5651 55.1274 41.9445 175.5146 90 A 4.1919 8.7560 122.9096 54.5617 18.3391 178.1629 91 G 4.0690 9.5554 112.6631 45.1163 0.0000 173.8216 92 D 4.6365 8.2146 120.4349 55.0131 41.9544 175.5221 93 T 4.8807 9.0998 119.6943 62.0084 71.0276 173.5740 94 L 5.0172 8.4851 125.3667 53.1689 45.2236 175.2876 95 T 5.0188 9.0408 120.2085 61.6593 71.5847 172.7106 96 A 5.0338 8.8295 128.8019 50.4790 21.4162 175.2373 97 T 4.7740 8.7090 119.4865 61.5641 71.7005 173.2465 98 A 5.2362 8.7312 128.0997 50.2165 22.1352 175.0475 99 Q 5.2517 9.3326 120.8500 53.7380 33.1537 175.1950 100 V 3.0593 8.7019 124.3361 61.9924 31.2924 176.1759 101 R 4.3889 8.5728 123.8223 57.6640 31.8043 176.3462 102 H 4.7779 7.5675 117.0022 54.8143 33.6694 172.5317 103 Q 4.5141 8.2153 125.7344 54.7831 31.2266 174.4174 104 G 4.0263 8.7736 117.7856 44.2216 0.0000 172.2653 105 K 4.1310 8.6823 117.6072 58.9016 32.4704 177.9072 106 Q 4.6582 8.2318 116.5241 56.6508 31.4202 175.9826 107 T 5.2552 7.9449 107.3713 59.9786 72.6050 173.2485 108 G 4.7113 9.1721 108.5088 44.9697 0.0000 171.4050 109 V 5.2305 8.8757 120.9487 61.1608 34.3827 174.1103 110 Y 5.0271 9.1044 124.1604 56.4002 42.2973 173.7587 111 D 5.2591 9.1880 123.5609 52.7395 43.7629 175.4668 112 I 5.1006 8.8813 123.0903 59.4379 41.1555 174.0300 113 E 5.1030 9.2207 126.7028 54.4245 33.0944 174.2343 114 I 4.9625 8.7401 127.3549 59.6176 39.7284 174.7908 115 V 4.9037 8.7175 126.6348 61.1749 35.2447 174.9058 116 N 5.2966 9.0760 125.0038 50.7104 39.7581 175.5382 117 Q 4.0592 8.7293 115.6582 58.9759 28.6897 176.7826 118 Q 4.2444 8.7521 117.6695 55.5253 28.6869 175.8068 119 Q 3.6139 7.9470 117.7504 56.9846 28.0855 172.8841 120 K 4.4916 7.4931 112.2013 54.0642 33.5753 176.3737 121 T 4.2462 8.5260 120.2928 64.5057 68.8878 173.9441 122 V 4.0561 9.0522 127.1642 65.1761 33.0382 175.4883 123 A 4.9673 7.4095 118.2516 51.1390 22.4544 175.2290 124 L 5.2043 8.4211 119.2365 53.0520 45.8621 175.6944 125 F 5.1930 9.1588 124.0844 56.7388 43.7818 173.0681 126 R 4.8866 8.0330 123.2796 54.6625 33.4898 174.0064 127 G 3.8535 9.2476 112.9726 43.9458 0.0000 171.0804 128 K 5.4046 9.2087 123.8155 54.3643 35.1100 175.1940 129 S 5.5296 9.4851 121.4551 56.9780 66.9749 172.3513 130 H 5.3498 8.9377 119.5858 54.6233 32.8718 172.6641 131 R 4.6904 9.0789 126.1625 56.0581 30.4909 176.7188 132 I 4.1579 8.5054 114.8208 60.0324 38.5249 176.2800 133 G 3.7305 8.1628 109.2862 47.1639 0.0000 175.0958 134 G 3.7393 8.5885 112.5327 45.0560 0.0000 172.4820 135 T 4.7667 8.2625 115.1217 61.2118 70.0755 174.2363 136 I 4.1212 7.8366 116.9493 60.3223 39.0645 176.0723 137 T 4.1237 8.1116 109.4803 61.8273 68.9181 174.6151 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 S 8.19 4.53 0.00 4.05 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 1 L 8.46 3.90 0.00 1.82 1.79 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.26 4.22 0.00 4.18 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 3 H 8.36 4.35 0.00 3.39 3.52 0.00 5.91 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 4 K 8.13 4.06 0.00 2.02 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.77 7.81 5 A 8.13 4.30 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 6 W 8.37 4.05 0.00 3.48 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 7 Q 8.29 4.08 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 8 N 8.18 4.31 0.00 2.82 2.85 0.00 0.00 7.07 7.40 0.00 0.00 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 A 7.88 4.35 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 10 H 9.01 4.59 0.00 3.27 3.48 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.07 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 5.36 0.00 3.36 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 14 E 8.42 4.07 0.00 2.30 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 2.50 2.37 0.00 15 N 7.46 4.91 0.00 2.82 2.84 0.00 0.00 6.83 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 16 D 7.98 4.61 0.00 2.74 2.44 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 17 A 8.10 3.98 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 18 C 8.10 3.99 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 A 8.29 4.00 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 20 K 7.88 3.87 0.00 1.73 1.80 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.95 1.27 7.81 21 A 8.25 4.05 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 22 L 8.06 4.38 0.00 1.71 1.73 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.93 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 0.00 0.00 0.00 24 I 8.17 4.29 1.93 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 1.23 0.60 0.90 0.00 0.00 25 D 8.84 4.96 0.00 2.55 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 0.00 0.00 0.00 26 I 7.78 4.58 1.64 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.08 0.38 0.00 0.00 27 I 8.39 4.66 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.91 0.00 0.00 28 S 7.44 4.53 0.00 3.97 3.78 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 *30 D 8.21 4.78 0.00 2.85 2.70 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 31 E 8.61 4.20 0.00 2.00 1.88 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 2.34 2.35 0.00 32 G 10.34 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 33 F 8.13 5.40 0.00 3.00 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 34 A 7.79 4.51 1.05 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 35 V 8.05 4.58 1.95 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 0.90 0.00 0.00 0.66 0.00 0.00 36 V 8.78 4.83 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 0.27 0.00 0.00 0.79 0.00 0.00 37 T 8.21 5.66 4.20 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 1.19 0.00 0.00 *39 T 8.26 4.57 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 40 V 8.46 3.95 2.22 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 0.99 0.00 0.00 0.93 0.00 0.00 41 T 8.44 4.61 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 1.28 0.00 0.00 42 A 8.53 4.15 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 43 Q 8.04 3.93 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.47 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 *45 L 7.82 4.21 0.00 1.66 1.63 1.00 1.22 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 46 N 8.57 4.64 0.00 2.70 2.53 0.00 0.00 6.77 6.98 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 47 G 8.35 3.71 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 0.00 48 H 8.73 4.80 0.00 3.15 3.34 0.00 5.78 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 49 Q 8.00 3.65 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 50 S 7.93 4.95 0.00 3.92 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 51 C 8.71 4.46 0.00 3.05 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.84 4.23 0.00 3.32 3.18 0.00 5.69 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 53 G 9.02 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 54 G 8.20 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 55 Q 8.11 4.13 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 56 L 8.02 4.01 0.00 2.23 2.00 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.58 4.12 0.00 3.22 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 58 S 8.33 4.24 0.00 4.15 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 59 L 8.00 3.89 0.00 1.84 1.82 0.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.75 3.64 0.59 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 61 D 7.58 4.06 0.00 2.22 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 62 T 7.75 3.93 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 1.32 0.00 0.00 63 A 7.72 3.94 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 0.00 0.00 0.00 0.00 0.00 64 F 8.37 4.24 0.00 2.70 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 65 A 8.02 3.44 1.08 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 66 Y 8.00 3.43 0.00 3.00 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 67 A 8.01 4.02 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 68 C 7.36 4.02 0.00 2.47 1.44 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 69 N 7.44 4.69 0.00 2.56 2.65 0.00 0.00 6.68 8.92 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 70 S 7.65 4.22 0.00 4.03 4.27 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 71 Q 7.93 4.14 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 72 G 8.54 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 73 L 7.41 4.82 0.00 1.60 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.23 4.26 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 75 A 8.59 4.91 1.10 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 0.00 0.00 76 V 8.46 4.46 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 0.65 0.00 0.00 0.96 0.00 0.00 77 A 8.55 4.95 1.52 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 78 S 9.04 4.61 0.00 3.90 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 79 A 7.50 4.61 1.21 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 0.00 0.00 80 C 8.10 4.90 0.00 2.07 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 81 T 7.68 4.59 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 1.09 0.00 0.00 82 I 8.13 4.87 1.96 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 -0.04 0.48 0.85 0.00 0.00 83 D 8.79 4.78 0.00 2.54 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 84 F 8.78 4.74 0.00 2.92 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 85 L 9.29 4.67 0.00 1.73 1.72 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.72 4.70 0.00 1.73 1.75 0.00 3.23 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 87 P 0.00 4.25 0.00 0.94 1.68 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 88 G 8.24 3.84 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 0.00 0.00 0.00 89 F 8.71 5.28 0.00 3.15 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 90 A 8.76 4.19 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 91 G 9.56 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 0.00 0.00 0.00 92 D 8.21 4.64 0.00 2.85 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 93 T 9.10 4.88 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 1.21 0.00 0.00 94 L 8.49 5.02 0.00 1.54 1.51 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 95 T 9.04 5.02 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 96 A 8.83 5.03 1.09 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 97 T 8.71 4.77 4.20 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 1.15 0.00 0.00 98 A 8.73 5.24 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 99 Q 9.33 5.25 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 100 V 8.70 3.06 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.52 0.00 0.00 101 R 8.57 4.39 0.00 1.70 1.97 0.00 3.30 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 102 H 7.57 4.78 0.00 3.18 3.06 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.22 4.51 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 104 G 8.77 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 0.00 0.00 0.00 105 K 8.68 4.13 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.42 7.81 106 Q 8.23 4.66 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 107 T 7.94 5.26 4.42 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 1.30 0.00 0.00 108 G 9.17 4.71 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 0.00 109 V 8.88 5.23 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 1.02 0.00 0.00 0.97 0.00 0.00 110 Y 9.10 5.03 0.00 3.12 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 0.00 111 D 9.19 5.26 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.88 5.10 1.66 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.75 0.67 0.00 0.00 113 E 9.22 5.10 0.00 1.99 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 2.24 0.00 114 I 8.74 4.96 1.85 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 1.02 0.53 0.89 0.00 0.00 115 V 8.72 4.90 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 1.09 0.00 0.00 0.94 0.00 0.00 116 N 9.08 5.30 0.00 2.88 2.97 0.00 0.00 6.62 8.36 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 0.00 117 Q 8.73 4.06 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.27 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 118 Q 8.75 4.24 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.25 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 119 Q 7.95 3.61 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 120 K 7.49 4.49 0.00 1.91 1.72 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.56 7.81 121 T 8.53 4.25 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 1.29 0.00 0.00 122 V 9.05 4.06 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 1.02 0.00 0.00 0.92 0.00 0.00 123 A 7.41 4.97 1.21 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 0.00 0.00 124 L 8.42 5.20 0.00 1.54 1.50 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.16 5.19 0.00 3.01 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 0.00 126 R 8.03 4.89 0.00 1.79 1.50 0.00 3.02 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 127 G 9.25 3.85 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 0.00 128 K 9.21 5.40 0.00 1.85 1.83 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.50 7.81 129 S 9.49 5.53 0.00 3.81 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 0.00 130 H 8.94 5.35 0.00 3.21 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 9.08 4.69 0.00 1.65 1.79 0.00 3.34 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 132 I 8.51 4.16 1.84 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 1.17 0.60 0.88 0.00 0.00 133 G 8.16 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 0.00 134 G 8.59 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 0.00 135 T 8.26 4.77 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 0.00 136 I 7.84 4.12 1.78 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 1.42 0.51 0.92 0.00 0.00 137 T 8.11 4.12 4.20 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.