NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4042 8.1233 123.5382 51.6777 20.3142 177.5181 2 L 4.0700 9.0877 121.3332 56.2871 41.2160 178.4761 3 W 4.5728 9.3068 117.4642 59.9856 28.0690 177.4031 4 Q 3.8703 7.0084 117.7197 57.3235 28.1355 177.9415 5 F 4.2858 8.5142 122.6953 61.4132 39.4859 176.9482 6 R 3.6691 8.0629 117.1032 59.5785 30.0691 178.8803 7 S 4.2092 7.8132 111.2144 61.4266 61.7626 175.8678 8 M 4.0449 7.9316 121.2103 58.4272 31.7987 178.2768 9 I 3.6008 7.2181 119.6695 63.9822 37.1225 178.1074 10 K 3.6506 7.8406 119.6889 59.3927 31.9211 177.8048 11 C 4.4244 8.1111 118.5684 59.0375 43.2795 175.1903 12 A 4.2982 7.4064 120.5614 53.1013 19.8127 177.6366 13 I 4.3455 8.3296 122.0863 58.4197 37.2374 174.3935 14 P 4.2849 0.0000 0.0000 65.5336 31.4341 178.1654 15 G 3.7940 8.0450 102.9119 46.0598 0.0000 173.2021 16 S 4.7469 7.5325 114.5635 57.2760 65.1493 174.1366 17 H 4.8409 8.1378 117.9828 53.1310 28.7462 173.0362 18 P 4.5499 0.0000 0.0000 65.4442 31.5199 176.9333 19 L 4.0313 8.0850 117.5893 59.2050 41.8444 178.5829 20 M 4.2083 8.0654 117.9379 58.2015 31.8426 177.7478 21 D 4.1373 7.9989 119.1086 57.1344 41.1158 178.5086 22 F 4.7958 7.9993 115.7274 57.3638 39.4284 175.0967 23 N 4.8874 7.6349 119.4330 52.8735 40.7004 174.3823 24 N 4.1667 8.9106 122.8107 54.7544 35.9509 173.5792 25 Y 4.8787 7.6678 117.9867 56.3559 42.4799 174.3667 26 G 3.6645 7.4587 116.6584 47.2084 0.0000 173.8392 27 C 4.5310 11.0600 116.2527 58.1396 41.5325 175.3590 28 Y 3.8304 8.6024 116.1600 59.7739 38.0020 175.9941 29 C 4.4158 8.4076 118.0646 58.2954 40.6349 173.7500 30 G 3.9818 8.9974 110.3982 44.4443 0.0000 172.8540 31 L 4.1171 8.1190 119.5194 55.2697 42.2169 175.9466 32 G 3.6923 8.9495 109.4189 44.6273 0.0000 170.3536 33 G 3.1856 7.5294 108.7490 44.5067 0.0000 172.9636 34 S 4.4839 7.4769 120.5413 58.1682 66.4039 174.3167 35 G 3.9255 9.0280 108.9693 44.7585 0.0000 172.0974 36 T 4.5254 8.0837 115.7023 59.6758 69.0368 173.5854 37 P 4.8213 0.0000 0.0000 62.1964 30.7620 177.5158 38 V 3.6074 8.4794 118.5645 64.1879 31.8881 175.5895 39 D 4.5087 7.7426 116.7547 51.5581 42.2310 175.1887 40 E 3.9168 8.8650 118.5294 60.0744 29.2912 178.5517 41 L 3.9626 8.0889 117.9253 58.4238 41.4941 178.9472 42 D 4.5947 9.1293 117.0346 57.5236 41.2563 178.4631 43 R 3.9700 8.1483 119.1404 59.7022 30.2118 177.5101 44 C 4.1064 8.0488 116.1810 60.6824 40.1506 175.9025 45 C 4.5041 8.3990 117.7015 59.9340 37.3734 175.5506 46 E 3.5535 8.2999 121.0623 59.7146 29.1576 179.1238 47 T 3.8044 7.7378 115.0302 66.7814 68.5466 176.0122 48 H 3.9268 8.2693 120.1388 59.3523 29.7062 177.0937 49 D 4.2805 8.4114 120.7491 57.1468 40.5089 178.3108 50 N 4.5709 7.7397 116.5914 55.6061 38.6923 176.6607 51 C 4.2982 8.0397 120.2025 59.9025 38.2714 175.1406 52 Y 4.2666 8.0523 118.6146 61.1279 37.1930 178.8436 53 R 3.9539 7.4489 114.5987 59.4679 29.7309 178.4555 54 D 4.4038 8.5084 119.4576 56.9872 40.8756 178.2471 55 A 3.4913 8.7351 121.7324 55.2185 18.1903 179.4735 56 K 4.0331 7.5835 114.0665 58.2141 32.1173 178.1815 57 N 4.4452 8.1237 116.2464 53.0831 38.9391 174.5275 58 L 4.4605 7.0163 121.2657 52.8776 42.1644 176.5794 59 S 4.1307 8.4497 119.1312 59.4553 63.3481 174.7425 60 G 3.9691 8.6992 112.7157 46.7174 0.0000 173.8601 61 C 4.4068 7.1496 118.4829 54.6506 39.5845 172.3796 *67 Y 4.6125 8.2851 124.7892 56.7965 37.5505 173.9577 68 P 3.8904 0.0000 0.0000 65.7930 31.4843 177.9437 69 Y 4.6596 7.7492 116.3677 60.5501 37.9504 177.0319 70 T 4.4835 7.9571 105.9648 61.1095 69.4869 173.3610 71 E 4.3607 7.8687 124.4620 55.3623 29.7780 175.7120 72 S 5.0046 8.8111 122.5802 57.2512 64.1658 173.2865 73 Y 5.0309 7.1586 121.8691 55.2216 40.5748 173.6398 74 S 5.0766 8.7397 113.1886 57.3300 65.1649 173.4043 75 Y 5.1429 8.1585 122.3999 56.4438 40.3338 173.4002 76 S 4.5023 9.1340 115.5378 56.6981 67.0065 172.2666 77 C 5.2727 8.7000 121.6881 54.2809 44.1057 174.5334 78 S 4.2603 9.1819 128.3201 57.4649 61.7770 174.6631 79 N 3.9664 8.4813 121.6101 55.2048 36.6231 173.7953 80 T 3.8561 8.2717 119.7617 63.6072 68.0816 172.1385 81 E 4.4109 8.1920 122.3882 55.0386 30.6452 174.4515 82 I 5.1858 8.1872 126.3120 59.8666 39.6485 175.1027 83 T 4.7380 9.3527 115.9169 60.2579 72.2450 172.2179 84 C 5.0244 8.8216 122.5048 56.0048 42.6105 173.0063 85 N 4.6104 9.9056 124.2205 53.7736 39.0341 175.9615 86 S 4.2101 9.0495 120.7747 60.4233 63.1984 174.8051 87 K 4.3999 8.1174 119.4519 56.2612 32.2433 176.5427 88 N 4.7002 8.1296 117.4668 52.7713 39.0932 175.0469 89 N 4.6797 9.3486 119.4549 51.9972 39.6676 175.9357 90 A 4.2010 8.5540 121.6908 55.7564 18.1504 180.0288 91 C 4.1218 8.2541 115.7640 59.9565 37.9340 175.1737 92 E 4.0276 8.7591 119.8477 59.8258 28.8730 179.6068 93 A 3.9795 8.9115 121.4486 54.7594 18.4726 179.5012 94 F 4.0239 8.5537 119.8730 61.6815 39.3157 177.5669 95 I 3.6349 8.0130 119.2656 64.0937 36.6654 177.5477 96 C 2.9328 7.5140 119.1188 58.7195 40.8753 175.3569 97 N 4.1058 7.3748 117.8407 56.3224 38.1358 176.5154 98 C 3.9193 7.4704 117.5258 60.0986 41.4572 176.1415 99 D 3.8997 7.4690 119.8731 57.2684 40.5719 178.5623 100 R 3.7631 8.4603 120.2878 59.6960 30.0352 178.2144 101 N 4.2218 8.4298 116.2045 56.0671 38.4821 177.1259 102 A 3.6116 7.7551 121.8180 54.9998 18.4513 179.0381 103 A 3.5215 7.8113 118.9239 55.7456 18.1652 179.8714 104 I 3.6329 7.3074 116.1888 64.6333 37.4513 177.6178 105 C 4.4520 7.9813 119.1811 59.7654 39.8911 175.6552 106 F 4.4067 8.7216 120.0355 60.5938 38.2582 177.6143 107 S 4.3187 8.1085 112.5355 60.1830 62.9548 175.4556 108 K 4.4175 7.8353 119.8821 55.2007 33.2379 175.6478 109 A 4.8821 7.5122 122.6482 49.2215 20.2302 175.4112 110 P 4.5560 0.0000 0.0000 62.3317 32.5824 174.9613 111 Y 4.1419 8.4343 120.8562 56.0418 39.0562 174.7185 112 N 4.7587 8.2841 126.8307 51.4275 39.1900 174.8286 113 K 4.4223 8.7546 126.6864 59.5283 32.3812 178.8872 114 E 4.0032 7.9811 117.8419 58.4933 29.8388 176.8395 115 H 4.3467 8.9098 115.5219 56.2494 29.5422 175.1037 116 K 3.9775 6.9912 119.9022 57.7055 32.1848 175.9719 117 N 4.1313 9.5802 125.4723 54.0481 36.2303 174.4270 118 L 3.8448 7.6777 118.0883 55.3555 43.4052 176.4304 119 D 4.6140 8.0047 122.8134 55.3457 39.8279 177.8054 120 T 4.0888 7.0653 121.8163 66.5513 69.3295 176.2210 121 K 4.2811 7.9717 116.8577 57.7912 32.1810 177.2654 122 K 4.4835 9.1838 117.8840 58.3032 35.0720 177.2074 123 Y 4.1651 8.1173 112.4373 58.6617 38.5184 176.2737 124 C 4.6088 8.3761 122.9785 56.9681 41.7008 173.5820 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 8.12 4.40 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 2 L 9.09 4.07 0.00 1.87 1.91 0.55 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.31 4.57 0.00 3.65 3.42 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 0.00 4 Q 7.01 3.87 0.00 1.37 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 5 F 8.51 4.29 0.00 3.18 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 6 R 8.06 3.67 0.00 1.96 2.00 0.00 3.29 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 7 S 7.81 4.21 0.00 4.09 4.16 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 8 M 7.93 4.04 0.00 2.24 1.66 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 9 I 7.22 3.60 1.65 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.07 0.55 0.00 0.00 10 K 7.84 3.65 0.00 1.76 1.86 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 11 C 8.11 4.42 0.00 3.16 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 12 A 7.41 4.30 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 13 I 8.33 4.35 1.96 0.00 0.00 1.00 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 0.96 0.97 0.00 0.00 14 P 0.00 4.28 0.00 2.03 2.12 0.00 3.68 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 2.03 2.10 0.00 15 G 8.04 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 16 S 7.53 4.75 0.00 4.27 3.93 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 17 H 8.14 4.84 0.00 3.17 3.24 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 18 P 0.00 4.55 0.00 2.20 2.12 0.00 3.68 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 2.27 2.26 0.00 19 L 8.08 4.03 0.00 1.70 1.78 0.96 0.99 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 20 M 8.07 4.21 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 21 D 8.00 4.14 0.00 2.11 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 22 F 8.00 4.80 0.00 3.04 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 23 N 7.63 4.89 0.00 2.98 2.76 0.00 0.00 7.05 7.67 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 24 N 8.91 4.17 0.00 3.10 2.91 0.00 0.00 6.52 7.48 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 25 Y 7.67 4.88 0.00 2.97 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 26 G 7.46 3.66 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 0.00 27 C 11.06 4.53 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 28 Y 8.60 3.83 0.00 3.39 3.33 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 29 C 8.41 4.42 0.00 3.40 3.43 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 30 G 9.00 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 0.00 0.00 0.00 31 L 8.12 4.12 0.00 1.69 1.70 0.93 0.83 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 32 G 8.95 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 33 G 7.53 3.19 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 0.00 0.00 0.00 34 S 7.48 4.48 0.00 3.91 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 35 G 9.03 3.93 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 0.00 0.00 0.00 36 T 8.08 4.53 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 1.24 0.00 0.00 37 P 0.00 4.82 0.00 2.18 2.13 0.00 3.98 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.73 0.00 38 V 8.48 3.61 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 0.69 0.00 0.00 0.63 0.00 0.00 39 D 7.74 4.51 0.00 2.89 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 40 E 8.87 3.92 0.00 2.09 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 0.00 2.43 2.46 0.00 41 L 8.09 3.96 0.00 1.82 1.52 -0.39 0.40 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 42 D 9.13 4.59 0.00 2.95 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 43 R 8.15 3.97 0.00 2.21 1.92 0.00 3.30 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 44 C 8.05 4.11 0.00 3.56 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 45 C 8.40 4.50 0.00 3.37 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 46 E 8.30 3.55 0.00 1.79 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 0.00 1.47 1.47 0.00 47 T 7.74 3.80 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 1.15 0.00 0.00 48 H 8.27 3.93 0.00 2.99 3.39 0.00 5.59 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 49 D 8.41 4.28 0.00 3.01 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 50 N 7.74 4.57 0.00 2.87 2.85 0.00 0.00 6.49 7.33 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 51 C 8.04 4.30 0.00 3.02 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 52 Y 8.05 4.27 0.00 2.91 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 53 R 7.45 3.95 0.00 2.00 2.10 0.00 3.12 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 54 D 8.51 4.40 0.00 3.21 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 55 A 8.74 3.49 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.03 0.00 1.62 1.60 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.51 7.81 57 N 8.12 4.45 0.00 2.74 2.70 0.00 0.00 6.89 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 58 L 7.02 4.46 0.00 1.58 1.45 0.49 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.45 4.13 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.70 3.97 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 0.00 0.00 0.00 61 C 7.15 4.41 0.00 2.82 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 *67 Y 8.29 4.61 0.00 3.04 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 68 P 0.00 3.89 0.00 0.50 1.34 0.00 3.44 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.74 0.00 69 Y 7.75 4.66 0.00 3.13 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 70 T 7.96 4.48 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 1.34 0.00 0.00 71 E 7.87 4.36 0.00 2.11 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 2.34 2.41 0.00 72 S 8.81 5.00 0.00 3.98 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 73 Y 7.16 5.03 0.00 3.24 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 S 8.74 5.08 0.00 3.97 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 75 Y 8.16 5.14 0.00 3.18 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 9.13 4.50 0.00 3.81 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 77 C 8.70 5.27 0.00 3.14 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 78 S 9.18 4.26 0.00 3.94 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 79 N 8.48 3.97 0.00 2.95 2.84 0.00 0.00 7.12 7.22 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 80 T 8.27 3.86 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 1.22 0.00 0.00 81 E 8.19 4.41 0.00 1.98 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 2.28 2.28 0.00 82 I 8.19 5.19 1.87 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 1.45 0.76 0.98 0.00 0.00 83 T 9.35 4.74 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 1.23 0.00 0.00 84 C 8.82 5.02 0.00 2.84 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 85 N 9.91 4.61 0.00 2.69 2.76 0.00 0.00 6.68 7.51 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 86 S 9.05 4.21 0.00 4.02 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 87 K 8.12 4.40 0.00 1.99 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 88 N 8.13 4.70 0.00 2.78 2.96 0.00 0.00 6.94 7.79 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 89 N 9.35 4.68 0.00 2.98 3.00 0.00 0.00 7.10 7.09 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 90 A 8.55 4.20 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 91 C 8.25 4.12 0.00 2.99 3.28 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 92 E 8.76 4.03 0.00 2.47 2.13 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 2.65 2.55 0.00 93 A 8.91 3.98 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 94 F 8.55 4.02 0.00 3.05 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 95 I 8.01 3.63 2.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.85 0.85 0.00 0.00 96 C 7.51 2.93 0.00 1.88 2.57 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 0.00 0.00 0.00 0.00 97 N 7.37 4.11 0.00 2.86 2.55 0.00 0.00 6.95 7.33 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 98 C 7.47 3.92 0.00 3.01 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 99 D 7.47 3.90 0.00 2.71 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 0.00 100 R 8.46 3.76 0.00 1.67 1.79 0.00 3.02 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 101 N 8.43 4.22 0.00 2.70 2.73 0.00 0.00 6.95 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 0.00 102 A 7.76 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.81 3.52 1.18 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 0.00 104 I 7.31 3.63 1.93 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 1.38 0.53 0.89 0.00 0.00 105 C 7.98 4.45 0.00 3.14 3.28 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 0.00 106 F 8.72 4.41 0.00 3.06 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 0.00 107 S 8.11 4.32 0.00 4.07 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 0.00 108 K 7.84 4.42 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.57 7.81 109 A 7.51 4.88 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 0.00 110 P 0.00 4.56 0.00 2.24 2.10 0.00 3.82 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 2.01 1.98 0.00 111 Y 8.43 4.14 0.00 2.90 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 0.00 112 N 8.28 4.76 0.00 2.76 2.48 0.00 0.00 6.72 6.15 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 0.00 113 K 8.75 4.42 0.00 1.87 1.94 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.60 7.81 114 E 7.98 4.00 0.00 1.76 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 2.22 2.31 0.00 115 H 8.91 4.35 0.00 2.19 2.56 0.00 5.70 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 6.99 3.98 0.00 1.94 1.74 0.00 2.03 0.00 0.00 1.75 0.00 0.00 3.32 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.68 1.86 7.81 117 N 9.58 4.13 0.00 2.71 2.86 0.00 0.00 7.01 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 0.00 118 L 7.68 3.84 0.00 1.56 1.41 0.12 0.99 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 0.00 119 D 8.00 4.61 0.00 2.70 2.51 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 0.00 120 T 7.07 4.09 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 1.19 0.00 0.00 121 K 7.97 4.28 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 122 K 9.18 4.48 0.00 2.05 1.96 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.59 7.81 123 Y 8.12 4.17 0.00 3.00 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 C 8.38 4.61 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.