NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1981 8.0249 121.4519 61.5844 37.6133 174.8405 5 H 4.5836 8.9585 124.2622 56.5606 29.5650 174.2546 6 Q 4.5849 8.3441 114.4920 55.6991 31.9906 172.7675 7 I 4.6164 8.5111 120.5671 59.8921 39.4521 175.0610 8 T 4.6767 8.9103 118.4974 59.0960 71.3045 172.6698 9 P 4.7849 0.0000 0.0000 62.6233 33.2203 175.3040 10 F 4.8804 9.2900 124.5158 56.6864 41.7299 173.6365 11 L 4.7938 8.9510 126.6945 54.0018 43.7648 175.9607 12 H 5.3938 8.9832 119.4777 54.3311 30.6183 173.2622 13 I 4.5569 8.7030 117.8555 58.2822 39.7302 175.2557 14 P 4.4369 0.0000 0.0000 65.4921 31.7741 175.4335 15 D 5.3182 7.3633 114.2883 52.6180 44.2625 174.0706 *17 Q 4.2326 8.6511 117.2111 56.4181 30.9714 177.7516 18 E 3.9573 8.5430 117.1083 59.3058 29.3762 179.2297 19 A 4.0505 8.0769 120.9617 55.0031 18.3827 179.7307 20 L 4.0485 7.8646 117.1940 58.0768 41.8614 179.5757 21 T 4.5361 8.0099 117.2128 66.1546 68.3055 176.2109 22 L 3.7888 7.6880 121.7516 58.1134 42.1439 178.9885 23 F 4.1851 7.9693 117.3674 60.7639 38.7671 177.4462 24 C 5.1183 8.4469 117.9396 62.4245 28.3316 175.9771 25 D 4.3899 8.0219 119.8155 57.0826 40.2972 178.5417 26 T 4.0957 7.6183 114.6850 65.6963 69.3453 176.6935 27 L 4.4490 8.0827 118.0893 55.0569 42.1066 177.8965 28 G 3.9602 7.8642 107.0286 44.9296 0.0000 173.6740 29 F 4.3785 8.9981 118.8352 57.2988 40.5432 173.9800 30 E 4.9421 9.1869 120.8355 54.3929 32.0018 175.2042 31 L 4.3055 8.6169 127.0605 55.1059 42.1763 176.2853 32 K 4.6030 8.8484 125.6464 57.3712 34.3701 175.9825 33 Y 4.8372 7.6132 117.8340 56.8246 41.9768 172.9222 34 R 4.6666 7.5175 124.7342 55.1993 33.8153 173.8877 35 H 4.4083 9.4643 123.2788 56.5089 34.2370 173.3275 36 S 3.6670 8.1583 124.3898 60.2416 61.1209 171.8669 37 N 4.8045 8.8690 127.5922 53.5424 37.3494 172.6698 38 Y 5.3768 8.1157 120.5856 56.4511 41.3888 174.3166 39 A 4.6259 7.9246 125.9807 50.3237 23.5218 174.3194 40 Y 4.7349 8.8883 121.9457 55.7803 41.7118 174.5761 41 L 5.0505 8.2008 125.9846 52.9027 46.0356 175.1989 42 E 5.1068 9.0327 118.4499 54.7442 34.4158 174.6605 43 L 4.0481 8.6249 125.5317 52.9411 44.2226 176.3294 44 S 3.5842 9.4893 123.2322 59.3705 60.6630 173.0740 45 G 3.9550 8.2834 105.3290 45.2710 0.0000 173.2609 46 C 4.5569 7.9180 118.9935 58.0172 29.3666 173.5312 47 G 4.0718 9.0536 112.8798 46.2457 0.0000 172.9144 48 L 4.5735 8.3131 123.5605 53.5219 45.8534 174.7568 49 R 4.8082 8.4630 125.0816 54.3929 32.9977 175.1690 50 L 5.3413 8.4524 121.2895 53.0284 46.4369 175.3674 51 L 5.2299 8.8517 123.2975 53.5289 45.7848 174.5084 52 E 4.8417 9.3870 128.2256 55.7113 30.9159 175.0271 53 E 4.9158 8.8185 127.1309 53.4529 29.3806 175.1760 54 P 4.2690 0.0000 0.0000 64.9763 32.3384 176.0403 *64 A 4.3063 7.6586 121.1497 52.1639 19.7244 175.6883 65 R 4.5399 8.5540 116.4637 55.1086 33.5206 173.6897 66 V 4.4239 8.2406 119.3178 63.3279 31.4076 175.6067 67 A 5.2385 9.0874 129.0826 51.2981 21.2623 175.7887 68 I 5.1509 7.6737 115.7682 59.7057 42.1242 173.9394 69 C 5.1345 9.2763 123.6218 58.1106 31.6776 173.0747 70 I 4.7107 8.9287 126.8121 59.5848 38.5230 174.8087 71 D 4.9910 8.6167 128.5347 54.2280 41.7765 176.4975 72 V 4.9466 8.7610 116.3917 59.7306 36.2346 174.7315 73 S 4.6392 8.3305 115.0868 57.5455 65.8745 173.2490 74 D 4.3178 8.6229 119.2378 55.5358 39.1446 174.5222 75 I 3.8601 7.3569 119.5844 63.9387 38.6044 176.3918 76 D 4.3533 8.0498 119.7850 57.4769 40.7662 178.5622 77 S 4.1440 8.3693 115.8300 61.2731 62.8176 176.4633 78 L 3.8937 7.6946 123.1822 58.3530 41.7957 178.3662 79 H 3.5166 8.2685 118.1879 59.4960 29.4560 177.1886 80 T 3.7240 7.3869 115.6942 66.6058 68.3476 176.2072 81 K 4.0346 7.6735 120.2975 59.0526 32.4397 178.2306 82 L 4.2381 7.8748 118.2434 55.8205 41.8188 178.8255 83 S 3.9055 7.8290 116.3760 61.3555 62.5754 174.8162 84 P 4.1947 0.0000 0.0000 65.7823 31.3944 178.2449 85 A 4.1455 7.8736 118.8402 54.9915 18.5005 179.5145 86 L 4.0368 8.1856 117.8710 57.7859 41.4313 179.2596 87 E 4.1485 8.1683 117.3425 58.3028 29.4636 177.8380 88 N 4.6914 7.7227 114.9275 52.5625 39.3272 175.1040 89 L 4.4221 6.9859 120.5469 52.7764 43.1458 174.9388 90 P 4.2550 0.0000 0.0000 62.7023 31.9803 177.2347 91 A 4.0504 9.0242 126.1552 55.6033 18.2116 178.6199 92 D 4.8537 8.1133 111.3330 54.6419 40.0124 176.4019 93 Q 4.6005 8.6484 119.5883 55.6718 30.0026 175.1696 94 V 5.3035 7.8637 117.0195 60.3834 34.4286 174.1662 95 E 5.0143 9.6850 123.1020 53.8499 32.8218 174.1334 96 P 4.5682 0.0000 0.0000 62.0186 32.8647 175.7465 97 L 4.4209 8.0515 120.0551 55.2177 42.2892 176.9906 98 K 4.5032 8.7999 122.7629 55.5252 36.2068 175.4222 99 N 4.8507 8.5230 124.7355 51.9625 39.9863 172.9243 *101 P 4.2729 0.0000 0.0000 62.7837 32.9514 176.3915 102 Y 4.5893 7.0891 116.2731 56.9587 38.3102 175.9095 103 G 3.8768 8.2773 106.6161 46.8482 0.0000 173.3144 104 Q 4.7923 7.6908 116.0559 53.6822 33.0988 174.4724 105 R 4.7181 9.3057 123.1468 54.8790 32.2916 174.8486 106 E 5.6807 9.2918 124.5675 54.3947 34.9803 174.0123 107 F 5.4890 8.5354 114.5150 55.6722 41.8749 173.3285 108 Q 5.3871 8.9638 116.7499 54.4705 33.4165 174.5144 109 V 4.9653 8.9268 120.2304 61.5869 35.3047 175.6305 110 R 2.8512 7.7141 128.1913 54.7181 31.3723 173.8027 *112 P 4.3142 0.0000 0.0000 62.2169 33.0540 176.8956 113 D 4.6076 8.0874 115.9357 52.9006 39.8251 176.3554 114 G 3.9562 8.1501 108.5095 45.6747 0.0000 173.6900 115 D 4.8514 7.7822 118.5030 53.7619 42.3220 175.7294 116 W 4.8969 9.2822 119.4022 55.0788 32.5443 175.0727 117 L 5.2432 9.2264 123.7670 53.4645 44.5795 174.8250 118 N 5.5168 9.1616 122.9887 51.4818 41.9851 173.4186 119 F 4.9859 8.3774 120.6987 55.9105 41.7148 174.4998 120 T 5.2018 9.0379 117.2433 60.8982 71.4184 172.1499 121 A 4.8793 8.5528 125.8186 50.0907 22.9992 174.3841 122 P 4.9489 0.0000 0.0000 61.5408 32.3964 176.4599 123 L 3.9534 8.4671 121.7397 55.1292 42.1540 178.1545 124 A 4.5063 8.4543 131.4651 51.7382 18.4040 176.8585 125 E 4.1485 8.7098 116.3821 59.1212 29.9905 177.7118 126 G 3.9624 9.0950 109.5069 45.6165 0.0000 172.8839 127 H 4.9057 7.2731 114.3723 53.5678 32.0260 172.9677 128 H 4.3497 8.6439 121.5713 56.4473 30.4302 175.0637 129 H 4.4715 8.6390 122.3064 55.9539 28.9151 174.2001 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 4 I 8.02 4.20 1.92 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 1.46 1.14 0.97 0.00 0.00 5 H 8.96 4.58 0.00 3.19 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.34 4.58 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 7 I 8.51 4.62 1.88 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 1.37 0.69 0.89 0.00 0.00 8 T 8.91 4.68 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 1.35 0.00 0.00 9 P 0.00 4.78 0.00 2.06 2.02 0.00 3.50 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 10 F 9.29 4.88 0.00 3.08 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 11 L 8.95 4.79 0.00 1.66 1.63 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.98 5.39 0.00 2.97 3.42 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.70 4.56 1.91 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 1.28 0.96 1.00 0.00 0.00 14 P 0.00 4.44 0.00 2.20 2.15 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 15 D 7.36 5.32 0.00 2.68 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 *17 Q 8.65 4.23 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 18 E 8.54 3.96 0.00 2.18 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 0.00 2.31 2.57 0.00 19 A 8.08 4.05 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 20 L 7.86 4.05 0.00 1.84 1.73 0.88 0.72 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 21 T 8.01 4.54 4.37 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 1.18 0.00 0.00 22 L 7.69 3.79 0.00 1.56 1.37 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.97 4.19 0.00 2.96 2.60 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 0.00 0.00 0.00 24 C 8.45 5.12 0.00 3.14 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 25 D 8.02 4.39 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.62 4.10 4.43 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 1.18 0.00 0.00 27 L 8.08 4.45 0.00 2.15 1.99 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.86 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 0.00 0.00 0.00 29 F 9.00 4.38 0.00 2.98 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 30 E 9.19 4.94 0.00 1.96 1.83 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 2.22 2.20 0.00 31 L 8.62 4.31 0.00 1.62 1.57 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.85 4.60 0.00 2.07 2.04 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.60 7.81 33 Y 7.61 4.84 0.00 3.08 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 34 R 7.52 4.67 0.00 1.60 1.52 0.00 3.23 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.57 0.00 35 H 9.46 4.41 0.00 2.89 3.18 0.00 5.96 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.16 3.67 0.00 4.08 3.12 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 37 N 8.87 4.80 0.00 3.08 3.03 0.00 0.00 5.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.12 5.38 0.00 3.11 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 39 A 7.92 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.89 4.73 0.00 2.94 2.84 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 41 L 8.20 5.05 0.00 1.51 1.53 0.61 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.03 5.11 0.00 1.78 1.70 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 2.05 1.96 0.00 43 L 8.62 4.05 0.00 0.27 0.86 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.49 3.58 0.00 3.89 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 45 G 8.28 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 46 C 7.92 4.56 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.05 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 48 L 8.31 4.57 0.00 1.58 1.05 0.69 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.46 4.81 0.00 0.84 0.66 0.00 2.82 0.00 0.00 2.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 50 L 8.45 5.34 0.00 1.33 1.42 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.85 5.23 0.00 2.01 1.33 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 E 9.39 4.84 0.00 2.07 1.81 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 2.28 2.43 0.00 53 E 8.82 4.92 0.00 1.82 1.85 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 2.25 2.29 0.00 54 P 0.00 4.27 0.00 2.05 2.10 0.00 3.77 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.30 0.00 *64 A 7.66 4.31 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 65 R 8.55 4.54 0.00 1.69 1.93 0.00 2.85 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.00 66 V 8.24 4.42 1.74 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 0.92 0.00 0.00 0.91 0.00 0.00 67 A 9.09 5.24 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.67 5.15 1.85 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 1.36 0.73 0.84 0.00 0.00 69 C 9.28 5.13 0.00 2.86 2.81 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 70 I 8.93 4.71 1.37 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.36 0.98 0.00 0.00 71 D 8.62 4.99 0.00 2.68 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 72 V 8.76 4.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.08 0.00 0.00 73 S 8.33 4.64 0.00 3.95 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 74 D 8.62 4.32 0.00 2.83 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 75 I 7.36 3.86 1.97 0.00 0.00 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 1.99 1.45 0.99 0.00 0.00 76 D 8.05 4.35 0.00 2.73 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 77 S 8.37 4.14 0.00 4.06 3.90 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 78 L 7.69 3.89 0.00 1.75 1.88 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.27 3.52 0.00 2.93 3.23 0.00 5.84 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 80 T 7.39 3.72 4.37 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 1.17 0.00 0.00 81 K 7.67 4.03 0.00 1.74 1.95 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 82 L 7.87 4.24 0.00 1.56 1.61 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.83 3.91 0.00 3.96 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 84 P 0.00 4.19 0.00 1.98 2.10 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 85 A 7.87 4.15 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 86 L 8.19 4.04 0.00 1.78 1.74 0.74 1.19 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 87 E 8.17 4.15 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 88 N 7.72 4.69 0.00 2.83 2.85 0.00 0.00 6.98 7.91 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 89 L 6.99 4.42 0.00 1.76 1.59 0.95 0.97 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 90 P 0.00 4.26 0.00 2.17 1.99 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 91 A 9.02 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.11 4.85 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.65 4.60 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 94 V 7.86 5.30 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 0.81 0.00 0.00 1.15 0.00 0.00 95 E 9.68 5.01 0.00 2.07 1.90 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 2.22 2.32 0.00 96 P 0.00 4.57 0.00 2.06 2.08 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 97 L 8.05 4.42 0.00 1.41 1.59 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.80 4.50 0.00 1.80 1.57 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.37 7.81 99 N 8.52 4.85 0.00 2.59 2.69 0.00 0.00 7.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 P 0.00 4.27 0.00 2.19 2.16 0.00 3.30 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 102 Y 7.09 4.59 0.00 2.97 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 0.00 103 G 8.28 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 7.69 4.79 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 105 R 9.31 4.72 0.00 1.79 1.78 0.00 3.14 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 106 E 9.29 5.68 0.00 1.99 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 2.29 2.13 0.00 107 F 8.54 5.49 0.00 3.31 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 0.00 108 Q 8.96 5.39 0.00 2.30 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 109 V 8.93 4.97 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 0.87 0.00 0.00 1.26 0.00 0.00 110 R 7.71 2.85 0.00 0.67 1.14 0.00 3.07 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.00 *112 P 0.00 4.31 0.00 2.07 2.10 0.00 3.67 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 1.89 2.03 0.00 113 D 8.09 4.61 0.00 2.76 2.74 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 0.00 114 G 8.15 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 0.00 0.00 0.00 115 D 7.78 4.85 0.00 2.77 2.74 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 0.00 116 W 9.28 4.90 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.23 5.24 0.00 1.59 1.58 0.79 0.05 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 0.00 118 N 9.16 5.52 0.00 2.88 2.67 0.00 0.00 6.60 7.73 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 0.00 119 F 8.38 4.99 0.00 1.81 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 0.00 120 T 9.04 5.20 4.32 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 1.24 0.00 0.00 121 A 8.55 4.88 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 0.00 122 P 0.00 4.95 0.00 1.91 1.95 0.00 3.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 123 L 8.47 3.95 0.00 1.42 1.25 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.45 4.51 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 0.00 125 E 8.71 4.15 0.00 1.98 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 0.00 2.34 2.42 0.00 126 G 9.10 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 0.00 0.00 0.00 127 H 7.27 4.91 0.00 3.08 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.64 4.35 0.00 3.02 3.20 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.64 4.47 0.00 3.15 3.09 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.