NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4344 8.3349 115.3087 58.4037 63.5376 173.8059 2 L 4.6974 8.3818 125.5193 54.2981 42.0138 176.9000 3 L 4.0604 8.3816 121.9014 58.3398 41.9370 179.3007 4 Q 4.1675 8.0369 117.2013 58.7205 28.7527 178.1868 5 F 4.5123 8.2960 121.2076 61.7064 39.5217 176.5798 6 N 4.1969 9.1931 117.2217 56.4170 38.2266 177.5705 7 K 4.0587 7.9927 119.2528 59.7358 32.2006 179.2793 8 M 4.0653 8.2021 119.1635 58.3650 31.8326 178.9485 9 I 3.3765 7.9121 120.2750 63.9915 37.2581 178.1659 10 K 4.6051 8.1306 122.0728 59.1667 31.8153 178.4717 11 F 4.2696 8.3091 119.4976 61.2984 39.3213 176.5007 12 E 3.9065 8.1762 117.5796 58.3088 29.5924 178.0923 13 T 4.2380 8.0108 106.9506 60.5471 70.3529 175.5693 14 R 3.8056 8.1189 120.2753 56.7967 28.9955 175.8030 *16 K 4.5034 7.3828 116.2592 56.0861 31.8292 174.7616 17 N 4.9172 8.3160 118.2730 52.6799 39.5829 176.0053 18 A 4.1684 8.9690 125.7593 55.1692 18.5554 177.6296 19 V 4.5940 7.7858 114.3054 61.3495 32.7257 173.6312 20 P 4.9314 0.0000 0.0000 62.4769 32.0398 176.9002 21 F 4.3531 7.2512 117.1032 59.7369 38.7820 175.5540 22 Y 4.7288 8.8809 115.1191 57.3672 39.8040 176.5581 23 A 3.8868 7.8724 123.1459 54.3575 18.5889 176.8686 24 F 5.4212 7.4490 112.7154 55.6629 39.8208 172.2941 25 Y 4.6537 8.2125 122.6234 56.4129 42.7143 175.8251 26 G 3.3361 7.7599 115.1558 47.2435 0.0000 173.8025 27 C 4.5943 9.8457 115.7663 57.7956 37.8270 174.7061 28 Y 4.2155 9.2251 115.6879 57.8224 39.2209 174.8578 29 C 4.2645 8.1649 119.6129 57.8212 40.5389 174.2406 30 G 4.3023 8.6264 111.5833 45.1951 0.0000 173.8387 31 W 3.5761 7.7555 120.7618 56.7260 28.7168 174.5139 32 G 4.0796 9.1461 104.1378 46.5154 0.0000 174.4007 33 G 3.6876 7.4082 107.0861 45.0658 0.0000 173.5489 34 Q 4.7215 6.7249 115.9917 56.8970 31.6982 175.2332 35 G 4.4718 9.9245 106.1337 45.6899 0.0000 172.8134 36 R 4.7870 8.3810 121.6946 53.2489 32.8315 174.0796 37 P 4.6446 0.0000 0.0000 62.9826 31.9406 176.8592 38 K 4.1174 8.9534 122.3172 58.7617 32.5872 176.1217 39 D 4.7121 7.6254 115.5560 51.1833 42.4948 174.9152 40 A 3.9806 8.8188 119.2708 56.0477 17.9473 179.8227 41 T 3.7914 8.0233 113.7035 67.0293 68.5014 176.1286 42 D 4.5032 8.9310 120.0340 57.4132 41.1820 178.2140 43 R 3.8980 8.3797 119.5137 59.3008 29.9830 177.9569 44 C 4.3054 8.1014 116.6612 60.2618 35.2032 175.3846 45 C 4.1951 7.9429 117.7747 59.8028 39.4789 175.8990 46 F 3.7803 8.4400 122.4880 61.2851 38.8468 177.4404 47 V 3.3340 8.1935 118.2019 65.9834 31.2227 177.4527 48 H 3.8841 8.5840 118.4621 59.0206 29.5485 176.6844 49 D 4.1632 8.2582 120.0267 57.5477 41.0449 177.4051 50 C 4.0541 7.9018 117.1647 60.2860 39.9846 175.2546 51 C 4.1066 8.4028 118.9445 60.1943 39.4734 175.0572 52 Y 4.6134 8.4397 118.5332 60.9798 37.2379 178.4173 53 G 3.7880 8.2849 106.2263 47.8694 0.0000 175.5465 54 K 4.2474 8.2156 118.8838 57.5269 33.0955 177.9219 55 L 4.5876 8.2168 121.8675 53.6806 39.3400 176.5890 56 A 4.0812 7.8194 124.9630 55.1672 19.4525 179.2635 *59 K 4.2303 7.8623 113.2033 57.1123 34.7880 178.1469 *61 C 4.9292 7.7842 113.6270 56.9313 41.7038 174.5216 *67 N 5.2934 7.8702 115.6093 53.3600 39.9460 175.2273 68 T 4.2811 7.8906 113.9617 65.0822 69.1414 175.2760 69 K 4.5595 7.5994 121.2804 55.0198 32.6801 174.2242 70 W 4.3117 8.2128 132.6701 55.5438 29.5056 175.0159 71 D 4.8563 7.7054 122.0174 52.0332 42.2130 176.6593 72 I 3.6608 8.1805 122.8711 61.6153 37.5413 175.6086 73 Y 4.7465 7.5615 122.6214 55.4840 40.2775 174.5489 74 R 5.0559 8.4897 118.6688 54.7980 32.6813 175.1033 75 Y 5.2369 8.2803 119.2319 55.9990 41.6183 173.4280 76 S 4.3795 9.2235 114.4339 57.1516 67.5651 172.1426 77 L 5.0068 8.2811 119.4445 53.1090 42.9587 176.8271 78 K 4.3755 9.0192 124.5292 55.3289 34.0012 176.7082 79 S 3.4112 9.4423 121.8575 59.7346 60.0159 173.3168 80 G 3.8450 8.3511 104.8225 45.9317 0.0000 173.0558 81 Y 5.1336 7.3694 117.4772 55.5927 40.9715 175.2956 82 I 4.2703 8.8479 124.8448 62.1131 37.9720 175.4884 83 T 4.6602 9.6191 124.9130 61.5053 71.7520 173.0926 84 C 4.4230 8.8580 124.4622 57.2738 41.4958 173.4516 *86 G 4.2922 8.4544 109.4040 46.1399 0.0000 171.8387 87 K 4.7475 8.3828 118.6690 54.9321 33.8578 178.0492 88 G 4.0014 8.6043 108.6532 45.1358 0.0000 173.6076 89 T 4.0404 7.9220 111.0424 61.6727 70.5378 174.4572 90 W 4.1177 8.8265 131.4527 61.0543 30.7107 178.9511 91 C 4.0079 8.3538 115.7741 59.8374 40.6907 175.7891 92 K 3.7605 8.1592 120.3267 59.8761 31.6722 179.1810 93 E 3.7855 7.7986 117.8558 58.9536 29.1916 179.4897 94 Q 3.4622 7.3171 118.2073 58.5317 28.6605 178.3951 95 I 3.3270 7.4880 121.0680 64.4018 37.0904 177.5522 96 C 2.8281 7.5517 119.0723 59.2649 44.4466 175.2237 97 E 3.6780 7.8926 120.7428 59.2453 29.0686 178.1880 98 C 4.2558 8.2137 116.7957 60.1379 35.8800 175.7178 99 D 3.9204 8.3475 120.6962 57.2800 40.4497 178.8104 100 R 3.8401 8.4567 119.3932 59.4638 30.0140 178.7023 101 V 3.5196 7.9095 117.6391 65.8946 31.4742 177.7518 102 A 3.9718 8.2211 120.3502 55.1069 18.2841 179.3083 103 A 3.7167 8.7751 119.5380 55.3269 18.4661 179.3695 104 E 3.9724 8.1402 117.7032 59.6831 29.6546 178.0610 105 C 4.1828 8.5475 118.8183 59.8672 43.3963 175.6625 106 L 3.7431 7.7796 119.8028 57.3720 41.3511 179.1569 107 R 3.9079 7.6606 118.7358 59.5805 29.6270 178.7101 108 R 3.9193 8.0831 118.2498 59.2392 29.9710 178.0256 109 S 4.0879 8.1982 113.9158 59.8331 62.4357 175.8662 110 L 4.0263 7.9486 122.8680 57.8308 41.0880 179.3417 111 S 4.3173 7.6212 113.0336 60.3704 63.0067 174.8170 112 T 4.4912 7.8005 110.1475 60.7493 69.7809 173.6224 113 Y 3.9520 7.5865 123.8749 58.1885 39.3237 175.1740 114 K 4.5827 8.2762 125.4710 54.3954 34.5155 176.5699 115 N 4.4808 9.2359 123.0082 56.4571 38.6718 177.2386 116 E 4.0393 8.1485 114.5783 59.1221 29.7722 177.1856 117 Y 4.3931 8.3613 116.6261 58.6585 38.1648 175.2993 118 M 4.3568 7.8994 120.9273 56.2935 32.5008 175.9092 119 F 3.8377 9.1419 120.2439 57.9730 37.3349 175.2278 120 Y 4.1236 8.2747 119.8628 57.2515 39.2766 174.1836 121 P 4.2294 0.0000 0.0000 62.8348 32.1227 176.9151 122 D 4.2547 8.6697 121.4607 57.4288 41.4876 178.6011 *124 S 4.3315 8.0306 112.3949 58.4179 64.5969 175.8159 125 R 4.1088 7.2419 116.5743 57.7318 29.8082 176.4723 126 C 4.9072 8.6204 115.6859 56.9776 40.3930 174.1174 127 R 4.5326 7.3498 115.6295 56.1791 30.0069 176.4946 128 E 4.3742 7.8507 118.1749 55.1412 31.2800 174.3164 129 P 4.6262 0.0000 0.0000 62.6529 31.8228 176.9505 130 S 4.5581 8.8820 120.9862 58.7388 63.4476 174.0902 131 E 4.0473 9.0333 126.6463 56.0814 29.8931 176.8278 132 T 4.2514 8.3635 116.2654 61.6206 69.8091 175.0290 133 C 4.4388 8.6687 119.1968 57.4725 41.2914 173.7335 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 S 8.33 4.43 0.00 3.89 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 2 L 8.38 4.70 0.00 2.03 2.06 1.41 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.38 4.06 0.00 1.82 1.78 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.04 4.17 0.00 1.82 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.31 1.76 0.00 5 F 8.30 4.51 0.00 3.39 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 6 N 9.19 4.20 0.00 2.90 2.90 0.00 0.00 7.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.99 4.06 0.00 2.19 2.05 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.79 7.81 8 M 8.20 4.07 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.07 0.00 9 I 7.91 3.38 1.73 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.62 0.00 0.00 10 K 8.13 4.61 0.00 1.97 2.05 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.41 7.81 11 F 8.31 4.27 0.00 3.06 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 12 E 8.18 3.91 0.00 1.91 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 2.58 2.50 0.00 13 T 8.01 4.24 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 0.98 0.00 0.00 14 R 8.12 3.81 0.00 1.88 2.00 0.00 3.05 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 *16 K 7.38 4.50 0.00 1.77 1.11 0.00 1.39 0.00 0.00 0.74 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 1.33 7.81 17 N 8.32 4.92 0.00 3.10 2.86 0.00 0.00 6.79 7.54 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 18 A 8.97 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.79 4.59 2.20 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 1.10 0.00 0.00 1.01 0.00 0.00 20 P 0.00 4.93 0.00 2.41 2.48 0.00 3.25 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.85 0.00 21 F 7.25 4.35 0.00 2.96 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.88 4.73 0.00 2.83 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 23 A 7.87 3.89 0.62 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 0.00 0.00 24 F 7.45 5.42 0.00 2.42 2.79 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 25 Y 8.21 4.65 0.00 3.06 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 26 G 7.76 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.85 4.59 0.00 3.18 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 28 Y 9.23 4.22 0.00 3.22 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 C 8.16 4.26 0.00 3.33 3.37 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 30 G 8.63 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 0.00 0.00 0.00 31 W 7.76 3.58 0.00 3.67 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 32 G 9.15 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.41 3.69 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 0.00 0.00 0.00 34 Q 6.72 4.72 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.07 2.45 0.00 35 G 9.92 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.38 4.79 0.00 1.97 1.74 0.00 3.17 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 37 P 0.00 4.64 0.00 1.85 1.87 0.00 3.35 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.25 0.00 38 K 8.95 4.12 0.00 1.30 1.56 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.09 0.31 7.81 39 D 7.63 4.71 0.00 2.81 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 40 A 8.82 3.98 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 41 T 8.02 3.79 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 0.86 0.00 0.00 42 D 8.93 4.50 0.00 3.11 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 43 R 8.38 3.90 0.00 1.96 2.08 0.00 3.14 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 1.67 1.69 0.00 44 C 8.10 4.31 0.00 3.19 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 45 C 7.94 4.20 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.44 3.78 0.00 2.58 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 47 V 8.19 3.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.09 0.00 0.00 48 H 8.58 3.88 0.00 3.09 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.26 4.16 0.00 2.68 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 50 C 7.90 4.05 0.00 2.88 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 51 C 8.40 4.11 0.00 3.03 3.29 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 52 Y 8.44 4.61 0.00 3.32 3.17 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 53 G 8.28 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 54 K 8.22 4.25 0.00 1.81 1.96 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.65 7.81 55 L 8.22 4.59 0.00 1.94 1.60 0.60 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.82 4.08 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 *59 K 7.86 4.23 0.00 1.94 2.03 0.00 1.39 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.56 1.05 7.81 *61 C 7.78 4.93 0.00 3.10 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 *67 N 7.87 5.29 0.00 2.81 2.96 0.00 0.00 7.29 7.54 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 68 T 7.89 4.28 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 1.23 0.00 0.00 69 K 7.60 4.56 0.00 1.69 1.68 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.45 7.81 70 W 8.21 4.31 0.00 3.41 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 71 D 7.71 4.86 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.18 3.66 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.32 0.77 0.00 0.00 73 Y 7.56 4.75 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.49 5.06 0.00 1.74 1.87 0.00 3.19 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 75 Y 8.28 5.24 0.00 3.11 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 76 S 9.22 4.38 0.00 3.73 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 77 L 8.28 5.01 0.00 1.41 1.50 0.55 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.02 4.38 0.00 1.81 1.74 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 79 S 9.44 3.41 0.00 4.06 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 80 G 8.35 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 81 Y 7.37 5.13 0.00 3.13 2.80 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 0.00 0.00 0.00 82 I 8.85 4.27 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.81 0.00 0.00 83 T 9.62 4.66 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 1.24 0.00 0.00 84 C 8.86 4.42 0.00 2.78 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 *86 G 8.45 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 87 K 8.38 4.75 0.00 1.75 1.73 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.36 7.81 88 G 8.60 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.04 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 1.22 0.00 0.00 90 W 8.83 4.12 0.00 3.37 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 91 C 8.35 4.01 0.00 2.94 2.83 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 92 K 8.16 3.76 0.00 1.89 1.91 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 93 E 7.80 3.79 0.00 1.83 1.75 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 2.40 2.43 0.00 94 Q 7.32 3.46 0.00 1.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 95 I 7.49 3.33 1.66 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.03 0.96 0.00 0.00 96 C 7.55 2.83 0.00 1.58 2.54 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 97 E 7.89 3.68 0.00 2.00 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 2.17 2.29 0.00 98 C 8.21 4.26 0.00 3.43 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 99 D 8.35 3.92 0.00 2.86 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 0.00 100 R 8.46 3.84 0.00 1.83 1.98 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 101 V 7.91 3.52 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 0.98 0.00 0.00 0.94 0.00 0.00 102 A 8.22 3.97 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.78 3.72 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 0.00 104 E 8.14 3.97 0.00 2.08 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 0.00 2.29 2.32 0.00 105 C 8.55 4.18 0.00 3.09 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 0.00 106 L 7.78 3.74 0.00 1.41 1.05 0.19 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.66 3.91 0.00 1.94 2.12 0.00 3.00 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 1.57 1.58 0.00 108 R 8.08 3.92 0.00 1.90 1.89 0.00 3.13 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 109 S 8.20 4.09 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.95 4.03 0.00 1.79 1.72 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.62 4.32 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.49 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 0.00 113 Y 7.59 3.95 0.00 3.04 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 0.00 114 K 8.28 4.58 0.00 1.02 1.32 0.00 0.61 0.00 0.00 1.40 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.12 1.29 7.81 115 N 9.24 4.48 0.00 2.88 3.07 0.00 0.00 6.83 7.66 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 0.00 116 E 8.15 4.04 0.00 2.18 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 2.13 2.49 0.00 117 Y 8.36 4.39 0.00 1.87 1.50 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 0.00 0.00 0.00 0.00 118 M 7.90 4.36 0.00 1.69 2.25 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.59 0.00 119 F 9.14 3.84 0.00 3.21 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 0.00 120 Y 8.27 4.12 0.00 2.88 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 0.00 121 P 0.00 4.23 0.00 1.97 1.95 0.00 2.63 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 1.08 1.54 0.00 122 D 8.67 4.25 0.00 2.69 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 *124 S 8.03 4.33 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.24 4.11 0.00 1.52 2.01 0.00 3.40 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.00 126 C 8.62 4.91 0.00 2.97 3.24 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 0.00 127 R 7.35 4.53 0.00 1.84 1.92 0.00 3.14 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 128 E 7.85 4.37 0.00 1.95 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 2.41 2.36 0.00 129 P 0.00 4.63 0.00 1.96 2.03 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 130 S 8.88 4.56 0.00 3.87 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 0.00 131 E 9.03 4.05 0.00 1.69 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 2.33 2.18 0.00 132 T 8.36 4.25 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 1.27 0.00 0.00 133 C 8.67 4.44 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.