NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7332 8.4249 117.7898 51.8744 40.3246 174.2625 4 K 4.6134 7.5676 118.4181 54.9287 34.5973 173.9790 5 K 5.2809 9.1355 121.3090 53.6397 37.6351 173.8342 *7 N 4.9934 8.5032 117.7811 54.0771 40.3053 173.2004 8 L 5.2251 8.9360 126.4243 52.9595 44.7173 175.2820 9 L 4.8709 9.1731 127.1823 53.8415 43.3939 175.3546 10 L 4.6765 8.8081 131.1543 54.1693 41.6160 176.3256 11 F 4.4759 8.8173 129.9436 60.2075 40.2149 176.4392 12 S 4.6466 8.2858 114.0497 58.2140 63.5974 174.4920 13 G 4.2771 8.5606 113.2572 45.4505 0.0000 173.4338 14 D 5.0860 7.7650 118.7072 52.0819 44.1408 175.7878 15 Y 3.9863 8.9416 126.1216 61.1481 38.8821 178.7184 16 D 4.4641 8.3043 119.2998 56.4440 39.5140 178.5271 17 K 4.0001 8.0662 119.1941 59.1363 32.2752 178.8790 18 A 4.0056 8.3347 121.4919 55.0161 18.1234 179.4322 19 L 3.7561 8.0695 118.6131 58.2100 42.2114 178.9239 20 A 4.0148 7.9956 120.9166 55.3606 18.2495 179.7712 21 S 4.1083 8.2089 112.6391 61.5984 62.9749 176.5246 22 L 4.1146 8.1359 122.1777 56.7643 41.6049 179.3139 23 I 3.6957 8.0280 120.4901 64.4338 36.9971 178.4312 24 I 3.7045 7.9202 120.2824 64.2982 36.9569 178.3269 25 A 3.9809 8.2090 121.7569 55.3848 17.7306 179.4797 26 N 4.2911 8.4638 114.9035 56.2979 38.3507 177.6240 27 A 3.9881 7.7548 120.7330 55.0088 18.8018 179.1321 28 A 4.0922 8.3268 119.6970 55.4395 18.2312 180.0384 29 R 4.0540 7.8804 115.3107 59.2032 30.3843 180.7167 30 E 4.1976 7.8971 118.8719 55.7932 29.4626 177.4663 *32 E 4.2463 8.0017 114.9479 56.0755 31.2300 175.8872 33 I 4.2868 7.6990 119.9423 60.7515 38.1846 175.7811 34 E 4.1704 8.9573 126.7747 56.2796 30.6230 175.8383 35 V 4.4807 8.4486 124.3066 61.3087 34.4210 173.9680 36 T 5.0213 8.5594 123.9412 61.8331 71.5369 172.9472 37 I 4.8507 8.8332 127.6225 59.6086 40.0687 174.5520 38 F 5.2586 9.4858 131.5903 57.1149 40.7926 174.1281 39 C 4.9681 9.0428 125.4984 58.6318 29.7741 173.0541 40 A 4.5991 8.4432 124.5827 49.9759 23.0218 177.7323 41 F 2.9918 8.7718 119.9200 57.9583 39.3024 179.8847 42 W 4.4513 8.0644 131.8603 60.4266 28.4852 177.3368 43 G 3.7122 8.0112 105.6216 47.5071 0.0000 175.5298 44 L 3.9088 7.8007 121.0783 57.7641 41.0503 179.3977 45 L 3.8000 7.9419 118.7257 57.3532 41.2135 179.1419 46 L 3.9492 7.6223 119.8841 57.6315 42.3271 178.0873 47 L 3.0942 7.5707 117.0565 53.6023 41.8698 176.8007 48 R 3.9032 6.5402 118.8172 55.8776 30.7332 175.5803 49 D 4.8328 8.7637 123.4862 51.8064 41.1518 175.1107 50 P 4.2538 0.0000 0.0000 66.3765 31.6713 179.1029 51 E 3.9258 8.1917 117.0261 59.0968 29.5974 181.0915 52 K 4.5015 7.8821 117.8971 53.9382 31.8134 178.5768 53 A 4.2928 7.3133 121.7780 53.5370 18.8105 177.7053 54 S 4.6806 8.4211 113.1846 57.3549 65.4160 173.9015 55 Q 4.5912 8.6233 124.2842 56.1007 29.6757 176.4917 56 E 4.1009 7.8657 114.5903 56.6597 30.6502 180.5368 57 D 4.4706 8.7333 118.8814 54.6779 39.1772 173.5748 58 K 4.7900 7.5336 115.7783 53.6410 36.7701 177.4799 59 S 4.3993 9.0793 117.7755 57.5214 65.0278 175.1400 60 L 3.9485 8.4648 123.0396 59.0522 41.5555 178.7122 61 Y 4.2874 8.0591 115.7527 61.0589 37.7480 178.2187 62 E 3.9089 8.3576 119.6713 59.4196 29.4836 179.3796 63 Q 3.9879 8.6403 118.2397 58.8746 28.7442 178.7408 64 A 3.9717 8.3819 122.0620 55.0889 18.5606 179.2904 65 F 3.9271 8.4378 119.4217 61.6606 39.2348 177.3047 66 S 4.2947 8.2292 111.5026 61.4743 62.2535 175.7393 67 S 4.2456 8.1940 115.2645 61.1263 62.2247 175.5924 68 L 4.2409 7.8911 120.9688 56.2817 41.8992 177.5645 69 T 4.0630 6.8935 107.4916 59.8795 69.5746 172.2961 70 P 4.3339 0.0000 0.0000 63.6081 31.4949 177.0278 71 R 4.2467 9.2114 121.9727 57.2400 30.8454 175.8032 72 E 4.6026 7.6582 114.2490 54.7838 32.4831 175.6635 73 A 3.9695 8.8022 122.1245 55.5018 18.2990 179.6390 74 E 4.3132 8.1617 114.2884 58.6621 29.8341 176.9742 75 E 4.4020 8.1070 116.3495 56.6171 29.9948 176.4911 76 L 4.3341 7.8286 120.3963 54.2663 42.3336 175.5278 77 P 4.7065 0.0000 0.0000 62.1319 33.0981 175.5947 78 L 4.6807 9.0945 121.5104 54.8019 41.6712 178.1278 79 S 4.4186 9.3826 117.2312 61.2058 63.4225 175.4874 80 K 4.4736 7.4135 117.4864 56.0956 33.4359 173.9141 *82 N 4.6047 8.2882 127.2665 54.0471 40.8579 176.0983 83 L 3.7066 8.6314 114.3285 55.2550 38.1674 176.8178 84 G 3.9066 8.2614 105.3256 46.2726 0.0000 173.8498 85 G 3.4300 8.0853 116.0172 46.3919 0.0000 177.5383 86 I 3.6437 7.6102 118.3115 62.8845 35.7618 181.4172 87 G 3.7926 7.9328 109.1055 48.1279 0.0000 174.6718 88 K 3.9096 8.0690 120.9312 59.1828 32.5539 179.2950 89 K 4.0160 8.2779 117.8428 56.7564 31.3957 177.9557 *91 L 4.2556 7.9869 120.5027 54.5538 43.6706 177.8613 92 L 4.1103 7.9295 117.4260 57.8757 42.0622 178.3294 93 E 4.1780 8.0964 121.9681 57.2560 26.9545 177.8179 *96 K 4.2392 8.0254 123.8838 54.5080 34.5102 178.8487 97 E 3.9353 8.5572 118.4774 59.1522 29.3772 178.0717 98 E 4.1803 8.2547 118.0667 56.0633 30.0490 176.2843 99 K 3.8676 8.0334 117.7747 56.0048 29.7527 180.4848 100 A 4.3214 8.0145 122.6853 51.5935 19.0771 176.8406 101 P 4.4093 0.0000 0.0000 62.2630 32.3143 177.1809 102 K 4.3248 8.5638 120.0670 55.8820 34.0063 177.9324 103 L 3.7972 8.4532 122.9830 58.6543 41.8518 179.6834 104 S 4.0694 8.5244 113.8720 61.4193 62.7189 176.2519 105 D 4.3113 8.0168 122.0531 57.2930 40.6053 178.5288 106 L 3.9743 8.0159 119.4697 57.5130 41.5070 179.4108 107 L 3.9493 8.1696 120.7168 58.1416 41.9522 179.1523 108 S 4.0536 8.0777 115.2757 61.3801 62.7242 176.6335 109 G 3.7304 8.3008 108.4607 47.9703 0.0000 175.3114 110 A 4.2126 8.2012 125.3329 54.1916 18.4216 179.8931 111 R 4.0015 8.2053 116.4726 59.5269 29.9450 179.4284 112 K 3.9831 8.1046 117.1774 59.2168 32.1446 178.6745 113 K 4.2404 8.0641 115.6455 55.7323 32.3625 176.5238 114 E 3.7622 8.0552 117.8593 56.7766 27.2951 174.8190 115 V 3.4988 7.5402 117.9507 63.6605 32.3780 175.4386 116 K 4.1524 8.7849 127.5362 55.5746 33.3928 175.5945 117 F 5.0923 8.4449 124.4651 56.1883 41.0632 174.6631 118 Y 5.4243 9.1805 120.6928 55.4865 41.6197 174.5653 119 A 4.9664 8.7556 123.1718 51.6418 22.0276 178.7125 *121 Q 4.1362 8.8128 114.6488 57.9263 31.0461 177.0484 122 L 4.0244 7.8591 118.5287 58.1984 41.9225 178.7431 123 S 3.5305 7.6478 113.2577 61.5257 63.1883 176.3428 124 V 3.7285 7.5805 120.1206 66.0705 30.9979 177.7615 125 E 4.0295 7.9362 117.0236 59.3752 29.3752 179.7289 126 I 3.6886 7.5395 114.6257 62.2926 36.8464 177.0464 *128 G 3.6948 7.7873 106.8836 44.7069 0.0000 173.5117 129 F 4.7142 7.1770 117.9001 57.2314 39.7550 175.6034 130 K 4.4476 9.3075 124.8850 54.9053 33.6367 177.9256 131 K 3.9079 8.6596 121.6687 59.6728 32.0914 178.5951 132 E 4.1704 8.0312 114.3857 58.2950 29.9802 177.2885 133 E 4.2657 8.0429 118.7057 57.5147 29.9161 176.1802 134 L 4.6686 7.1917 118.1432 51.9395 44.3024 176.0492 135 F 4.4405 7.2501 118.5118 57.6287 39.4460 175.2847 136 P 4.2743 0.0000 0.0000 65.6786 31.1914 177.4015 137 E 4.2553 8.0962 112.7707 56.7785 30.2291 176.7431 138 V 3.9534 7.4405 120.9628 63.6677 32.2514 175.0464 139 Q 4.8686 8.6814 125.9770 54.2313 31.6740 175.5500 140 I 4.9788 8.6012 123.5478 60.1070 38.9339 174.4856 *142 D 4.5970 8.3607 122.6624 52.9152 40.4506 176.8673 143 V 3.7141 8.2288 118.4272 64.8325 31.1607 178.4889 144 K 3.9754 8.1050 118.8644 59.2747 31.9474 178.9743 145 E 3.8743 8.4753 119.1231 59.1510 29.3410 178.4771 146 Y 3.5976 7.5530 119.5944 60.5759 38.6172 178.2845 147 L 3.5064 7.8512 119.6598 57.5401 41.6770 179.5062 148 K 3.7542 7.8683 118.2752 59.5428 31.8136 178.7741 149 N 4.1164 7.6628 115.1449 56.5907 39.2254 176.2728 150 A 3.9454 7.8745 122.3437 55.2539 18.1763 179.6916 151 L 3.9455 7.7558 116.2168 57.4888 41.7217 178.8557 152 E 4.2141 7.6935 116.2492 56.6402 29.8558 176.9536 153 S 4.5565 7.0505 115.1473 57.9240 64.0014 173.6788 154 D 4.6609 8.7117 121.2779 54.8899 41.4813 177.1331 155 L 4.6983 7.7008 119.8481 53.1614 44.7662 174.9595 156 Q 4.9176 8.7640 123.9881 54.2875 31.8151 174.5917 157 L 5.0390 9.0896 123.1443 52.8128 46.5483 175.2644 158 F 5.2151 8.9808 122.9185 56.6304 41.6462 175.0164 159 I 4.2732 8.5560 126.6500 61.4305 37.5095 175.6250 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 3 N 8.42 4.73 0.00 2.76 2.80 0.00 0.00 6.68 6.56 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 4 K 7.57 4.61 0.00 1.75 1.74 0.00 1.59 0.00 0.00 1.97 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 5 K 9.14 5.28 0.00 1.62 1.69 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.19 7.81 *7 N 8.50 4.99 0.00 2.81 2.77 0.00 0.00 6.76 6.66 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 8 L 8.94 5.23 0.00 1.67 1.60 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.17 4.87 0.00 1.82 1.55 0.68 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.81 4.68 0.00 1.84 1.59 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.82 4.48 0.00 2.60 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 12 S 8.29 4.65 0.00 4.00 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 13 G 8.56 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 0.00 0.00 0.00 0.00 14 D 7.77 5.09 0.00 2.73 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 15 Y 8.94 3.99 0.00 3.18 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 16 D 8.30 4.46 0.00 2.98 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 17 K 8.07 4.00 0.00 1.87 1.94 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.55 7.81 18 A 8.33 4.01 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 19 L 8.07 3.76 0.00 1.90 1.86 0.83 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.00 4.01 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 21 S 8.21 4.11 0.00 4.11 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 0.00 22 L 8.14 4.11 0.00 1.73 1.78 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.03 3.70 2.03 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 1.53 1.16 0.92 0.00 0.00 24 I 7.92 3.70 1.89 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 1.47 0.82 0.93 0.00 0.00 25 A 8.21 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 26 N 8.46 4.29 0.00 2.82 2.88 0.00 0.00 6.96 7.85 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 27 A 7.75 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.33 4.09 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 29 R 7.88 4.05 0.00 1.95 2.00 0.00 3.53 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 30 E 7.90 4.20 0.00 2.11 1.98 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 2.35 2.44 0.00 *32 E 8.00 4.25 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 2.21 2.34 0.00 33 I 7.70 4.29 2.00 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 0.48 0.91 0.00 0.00 34 E 8.96 4.17 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 2.33 2.26 0.00 35 V 8.45 4.48 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 1.04 0.00 0.00 0.99 0.00 0.00 36 T 8.56 5.02 4.34 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 1.62 0.00 0.00 37 I 8.83 4.85 1.66 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 1.08 0.52 1.02 0.00 0.00 38 F 9.49 5.26 0.00 3.31 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 39 C 9.04 4.97 0.00 2.83 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 40 A 8.44 4.60 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 41 F 8.77 2.99 0.00 2.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.06 4.45 0.00 3.50 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 43 G 8.01 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 44 L 7.80 3.91 0.00 1.82 1.61 0.85 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.94 3.80 0.00 1.83 1.71 1.16 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.62 3.95 0.00 1.62 1.78 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.57 3.09 0.00 1.37 0.98 0.82 0.70 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 48 R 6.54 3.90 0.00 1.57 1.71 0.00 2.48 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.97 0.00 49 D 8.76 4.83 0.00 2.72 2.55 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 50 P 0.00 4.25 0.00 2.26 2.29 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 51 E 8.19 3.93 0.00 1.98 1.92 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 2.26 2.14 0.00 52 K 7.88 4.50 0.00 1.80 1.70 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.24 7.81 53 A 7.31 4.29 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 54 S 8.42 4.68 0.00 3.81 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 55 Q 8.62 4.59 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 56 E 7.87 4.10 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 2.26 2.11 0.00 57 D 8.73 4.47 0.00 2.78 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 58 K 7.53 4.79 0.00 1.72 1.62 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.59 7.81 59 S 9.08 4.40 0.00 3.99 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 60 L 8.46 3.95 0.00 1.81 1.74 1.00 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 61 Y 8.06 4.29 0.00 2.96 2.94 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 62 E 8.36 3.91 0.00 2.23 1.92 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 2.16 2.28 0.00 63 Q 8.64 3.99 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 64 A 8.38 3.97 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 65 F 8.44 3.93 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 66 S 8.23 4.29 0.00 3.98 4.21 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 67 S 8.19 4.25 0.00 4.03 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 68 L 7.89 4.24 0.00 1.61 1.63 0.88 0.92 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 69 T 6.89 4.06 4.09 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 0.59 0.00 0.00 70 P 0.00 4.33 0.00 2.06 1.96 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 71 R 9.21 4.25 0.00 1.75 1.96 0.00 3.37 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 72 E 7.66 4.60 0.00 2.13 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 2.28 2.32 0.00 73 A 8.80 3.97 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 74 E 8.16 4.31 0.00 1.99 2.06 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 2.36 2.49 0.00 75 E 8.11 4.40 0.00 2.16 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 2.32 2.29 0.00 76 L 7.83 4.33 0.00 1.75 1.86 0.92 1.02 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 77 P 0.00 4.71 0.00 2.08 2.13 0.00 3.89 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 2.03 1.93 0.00 78 L 9.09 4.68 0.00 1.54 1.85 1.04 0.94 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 79 S 9.38 4.42 0.00 3.97 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 0.00 80 K 7.41 4.47 0.00 1.84 1.82 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.41 7.81 *82 N 8.29 4.60 0.00 2.99 2.85 0.00 0.00 7.18 6.66 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 83 L 8.63 3.71 0.00 1.87 1.61 0.92 0.77 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 84 G 8.26 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 85 G 8.09 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 0.00 0.00 0.00 86 I 7.61 3.64 1.87 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 1.35 0.73 0.91 0.00 0.00 87 G 7.93 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 88 K 8.07 3.91 0.00 1.88 1.87 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.44 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.22 1.06 7.81 89 K 8.28 4.02 0.00 2.03 1.78 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 *91 L 7.99 4.26 0.00 1.63 1.79 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.93 4.11 0.00 1.77 1.66 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.10 4.18 0.00 2.11 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 2.31 2.39 0.00 *96 K 8.03 4.24 0.00 1.71 1.85 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 97 E 8.56 3.94 0.00 1.89 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 0.00 2.36 2.43 0.00 98 E 8.25 4.18 0.00 1.91 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 2.26 2.36 0.00 99 K 8.03 3.87 0.00 1.96 1.73 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.29 1.24 7.81 100 A 8.01 4.32 1.27 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 0.00 0.00 101 P 0.00 4.41 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 102 K 8.56 4.32 0.00 1.87 2.06 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.54 7.81 103 L 8.45 3.80 0.00 0.84 1.46 0.70 0.57 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 0.00 104 S 8.52 4.07 0.00 4.07 4.12 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 0.00 105 D 8.02 4.31 0.00 2.89 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 0.00 106 L 8.02 3.97 0.00 1.84 1.71 0.90 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.17 3.95 0.00 1.77 1.72 0.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.08 4.05 0.00 3.99 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 0.00 109 G 8.30 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 0.00 110 A 8.20 4.21 1.57 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 0.00 0.00 111 R 8.21 4.00 0.00 1.93 2.01 0.00 2.21 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 112 K 8.10 3.98 0.00 1.86 1.87 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 113 K 8.06 4.24 0.00 1.73 1.84 0.00 2.08 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.58 7.81 114 E 8.06 3.76 0.00 2.14 2.06 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 2.24 2.23 0.00 115 V 7.54 3.50 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 0.03 0.00 0.00 0.86 0.00 0.00 116 K 8.78 4.15 0.00 1.70 1.36 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.37 7.81 117 F 8.44 5.09 0.00 2.94 2.93 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 0.00 118 Y 9.18 5.42 0.00 3.18 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 0.00 119 A 8.76 4.97 1.03 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 *121 Q 8.81 4.14 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 122 L 7.86 4.02 0.00 1.77 1.57 0.87 0.99 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 0.00 123 S 7.65 3.53 0.00 3.56 3.48 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 0.00 124 V 7.58 3.73 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 1.14 0.00 0.00 0.90 0.00 0.00 125 E 7.94 4.03 0.00 2.05 1.91 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 2.30 2.41 0.00 126 I 7.54 3.69 1.52 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.41 0.64 0.00 0.00 *128 G 7.79 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 0.00 129 F 7.18 4.71 0.00 3.11 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 0.00 130 K 9.31 4.45 0.00 1.78 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.53 7.81 131 K 8.66 3.91 0.00 1.84 1.82 0.00 1.61 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 132 E 8.03 4.17 0.00 2.12 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 2.29 2.28 0.00 133 E 8.04 4.27 0.00 2.28 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 2.49 2.32 0.00 134 L 7.19 4.67 0.00 1.46 1.28 0.79 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 0.00 135 F 7.25 4.44 0.00 2.99 2.89 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 0.00 136 P 0.00 4.27 0.00 2.06 2.14 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 137 E 8.10 4.26 0.00 2.10 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 0.00 2.35 2.31 0.00 138 V 7.44 3.95 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 0.74 0.00 0.00 0.93 0.00 0.00 139 Q 8.68 4.87 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 140 I 8.60 4.98 1.93 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 1.05 1.38 0.95 0.00 0.00 *142 D 8.36 4.60 0.00 2.99 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 0.00 143 V 8.23 3.71 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 1.05 0.00 0.00 144 K 8.10 3.98 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 145 E 8.48 3.87 0.00 2.12 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 2.27 2.42 0.00 146 Y 7.55 3.60 0.00 1.43 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 0.00 147 L 7.85 3.51 0.00 1.80 1.61 0.96 1.15 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 0.00 148 K 7.87 3.75 0.00 1.92 1.77 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.33 7.81 149 N 7.66 4.12 0.00 2.60 2.74 0.00 0.00 7.28 7.24 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 0.00 150 A 7.87 3.95 0.78 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 0.00 0.00 151 L 7.76 3.95 0.00 1.70 1.68 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.69 4.21 0.00 1.99 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 2.28 2.43 0.00 153 S 7.05 4.56 0.00 4.01 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 0.00 154 D 8.71 4.66 0.00 2.71 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 0.00 155 L 7.70 4.70 0.00 1.53 1.50 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.76 4.92 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 157 L 9.09 5.04 0.00 1.64 1.60 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.98 5.22 0.00 3.07 2.89 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 0.00 159 I 8.56 4.27 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.