NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2802 8.3449 119.6828 55.7925 28.9170 173.4376 4 L 4.6650 7.7779 122.7929 50.5058 45.2839 174.4380 5 T 4.0811 8.5567 111.6503 62.4634 70.3953 175.5814 6 E 3.9927 8.6239 119.9782 60.9801 29.6687 176.3869 7 E 4.0980 8.0840 119.2694 59.4923 29.5870 179.1960 8 Q 3.5028 8.0184 117.7922 58.9906 28.6837 178.8589 9 I 3.5961 7.2055 119.8916 64.7395 37.1163 178.3390 10 A 4.0323 8.2067 121.1064 54.6314 18.3093 179.3306 11 E 3.9980 8.3387 118.8061 59.4320 29.7345 178.9674 12 F 4.8417 8.7982 118.3948 60.5044 38.9566 177.4107 13 K 3.9299 8.8668 119.6784 59.6238 31.6746 178.3952 14 E 3.9860 7.8391 117.4467 59.5877 29.7567 178.9709 15 A 4.2027 8.2411 119.9855 55.3210 18.7205 179.2023 16 F 3.8132 9.0391 119.1904 61.8088 39.2355 177.3817 17 S 4.1961 8.4958 111.7441 61.6898 62.0965 175.7917 18 L 3.8393 8.0807 122.4040 57.2867 41.7839 178.0398 19 F 4.5721 7.6664 115.2880 57.3539 41.4629 176.0132 20 D 4.5486 7.6737 122.9385 52.9553 39.3940 177.3696 *21 K 4.0231 7.9339 123.1625 56.7051 32.3069 178.6956 22 D 4.7004 8.0681 114.4348 52.6581 40.0823 176.4996 23 G 3.9135 7.8149 108.1382 47.0686 0.0000 173.9123 24 D 4.6365 8.7303 116.5612 52.4295 39.8320 176.6168 25 G 4.1094 9.0458 107.7671 46.7523 0.0000 173.0969 26 T 5.4898 8.5898 115.3433 61.4696 71.8915 173.3966 27 I 4.6109 9.2696 119.9421 58.7216 41.2967 174.6175 28 T 4.5466 8.5511 112.7222 61.7155 69.1948 175.7116 29 T 4.0091 8.8127 122.0605 66.9338 68.4134 176.2719 30 K 3.7941 8.0544 120.5492 59.8326 32.2079 178.4373 31 E 3.7086 8.0135 118.0243 58.4168 29.1994 178.7920 32 L 3.9836 7.6072 121.1426 58.3303 41.9281 179.3987 33 G 3.5029 7.7430 105.2738 48.1212 0.0000 175.5443 34 T 3.7178 7.7545 118.1284 66.3723 68.3626 176.5536 35 V 3.4628 7.5396 119.7263 66.0832 31.6615 177.5300 36 M 4.0266 8.0732 117.9122 59.0395 31.7958 178.4254 37 R 4.3879 8.2250 119.5491 58.5240 30.1225 178.8724 38 S 4.1998 7.8107 114.1858 61.4640 62.9130 175.8842 39 L 4.5080 7.8787 118.8242 54.3454 41.5266 177.1036 40 G 3.8498 8.1619 107.2777 46.5002 0.0000 173.7748 41 Q 4.5603 8.0254 118.1209 54.1988 30.9236 175.3015 42 N 5.2413 8.1521 115.6549 50.9075 37.0114 171.5475 43 P 4.5559 0.0000 0.0000 63.4223 32.9333 176.9119 44 T 4.4329 8.5878 110.0014 60.3179 71.6779 175.4655 45 E 3.8969 8.9620 120.5782 59.8316 29.4037 179.7088 46 A 4.0054 7.9284 120.1375 55.0627 18.4536 179.3940 47 E 3.8952 8.3434 117.2319 59.5177 29.4883 179.4361 48 L 3.9568 8.0252 118.8550 58.2267 41.7998 179.6436 49 Q 3.9866 8.1357 117.5783 59.0369 28.6904 179.0550 50 D 4.2892 8.2520 119.8750 57.5709 40.9510 178.4898 51 M 4.0324 8.0337 119.0514 58.5214 31.9985 178.8484 52 I 3.6812 8.3483 119.9655 64.7062 37.1482 178.2973 53 N 4.3183 8.3698 115.8808 56.2322 38.3550 176.6138 54 E 4.1264 7.8563 119.4536 58.1326 29.9027 177.7838 55 V 4.1098 7.5415 115.6870 62.6942 32.5333 175.2421 56 D 4.9365 8.1044 118.7520 53.7802 41.4303 177.8307 57 A 4.1234 8.1159 123.1521 54.9107 18.7798 179.1136 58 D 4.4204 8.0555 113.5348 54.0701 40.0889 177.3345 59 G 3.9160 7.7724 106.6318 46.0985 0.0000 174.2849 60 N 4.4514 8.8835 118.3614 53.2347 38.9992 175.6441 61 G 4.4053 8.6064 107.1967 46.6361 0.0000 172.9160 62 T 5.1916 7.9026 107.7184 59.6016 71.8068 173.4460 63 I 5.0271 8.9885 123.7776 59.8441 41.4280 174.3842 64 D 5.8500 9.4512 126.3603 51.1576 42.0685 177.0915 65 F 3.6293 8.9861 121.0741 61.2441 39.0751 175.3393 66 P 4.2011 0.0000 0.0000 65.9267 31.3294 178.1543 67 E 3.9768 8.8719 117.2676 59.7117 29.4256 179.4803 68 F 4.2703 8.4965 120.4610 60.9322 39.3395 177.3931 69 L 3.5026 7.7755 119.2593 57.6945 41.3956 179.3131 70 T 3.7675 7.6445 109.6034 65.1867 68.4755 176.3431 71 M 3.9566 7.6659 120.9918 58.2978 31.8916 178.6762 72 M 3.7631 7.4805 118.5940 58.1905 31.8101 178.6499 73 A 3.9542 7.7617 119.9587 55.1401 18.3950 179.3586 74 R 3.9698 7.9372 117.2581 59.2343 29.8545 178.6075 75 K 3.9899 8.1047 119.5711 59.7272 31.9461 178.7909 76 M 4.1609 8.3132 121.0315 58.6365 31.9256 179.1611 77 K 4.3391 7.7397 124.1646 58.7850 33.2734 181.1697 *78 D 5.0602 7.5917 114.9734 51.8812 40.2740 179.5238 79 T 4.7211 7.5174 112.5870 59.5404 71.8811 174.7616 80 D 4.7236 8.3271 122.6710 53.3928 41.8179 176.9070 81 S 4.3929 8.8365 118.3911 57.8293 63.9864 174.7247 82 E 4.0610 8.7469 121.1339 59.2540 29.3230 178.1752 83 E 3.9378 8.2338 118.9306 59.6129 29.4806 178.5333 84 E 4.2852 8.3955 117.9723 58.9841 29.3167 178.8931 85 I 4.3189 8.0526 121.9754 63.5371 37.6976 178.8908 *86 R 3.9614 7.9043 121.3308 61.5861 29.2216 182.0630 87 E 4.1997 8.8004 120.0057 59.4606 29.2497 179.5895 88 A 4.0181 7.4953 118.1989 55.1059 18.6869 179.4355 89 F 4.0954 8.2344 116.6660 60.4991 39.0945 177.8060 90 R 3.7887 8.1366 118.4287 59.3347 29.5027 178.6359 91 V 3.4611 7.3399 117.3452 65.0122 31.4314 176.3888 92 F 4.5516 8.0184 115.0896 57.1734 39.4009 176.0179 93 D 4.7483 7.5664 122.7604 52.2321 39.7361 176.5945 94 K 3.8544 8.7084 124.2684 59.1135 32.2738 177.8277 95 D 4.7017 8.2875 114.5059 52.3189 39.4661 176.0811 96 G 4.1513 7.9689 106.0692 46.9350 0.0000 174.2544 97 N 4.6402 8.5521 114.3447 52.5383 37.6130 175.9057 98 G 3.6620 10.0434 108.7070 45.2115 0.0000 172.5306 99 F 5.2694 8.9330 117.4557 55.6100 42.4605 174.3762 100 I 4.7986 8.7730 123.6735 59.2840 41.0901 174.6855 101 S 4.7049 8.6835 119.4167 57.9747 63.0431 174.5054 102 A 3.9326 8.9960 129.5605 55.7805 18.0667 179.6088 103 A 4.0008 7.9411 118.3751 55.1841 18.5314 179.6128 104 E 3.9546 8.0842 116.9509 59.3457 29.5536 179.3337 105 L 3.8144 8.1341 119.2703 57.8130 41.7508 179.2775 106 R 3.8410 7.8703 118.3919 59.8510 29.4864 177.8351 107 H 3.9828 8.2253 117.5669 59.2817 29.8172 177.1957 108 V 3.3638 8.0436 120.3262 66.2934 31.2950 177.4205 109 M 4.1255 8.0419 116.7793 56.4785 31.8680 177.4244 110 T 4.5726 7.5716 108.6616 61.7716 69.6748 174.5944 111 N 4.8244 7.5955 117.4587 53.0083 41.1136 174.1949 112 L 4.8004 7.8638 116.6079 53.0035 45.7495 179.0998 113 G 3.5520 8.0834 108.9183 47.2261 0.0000 176.1106 114 E 4.4006 8.6354 127.9345 54.2187 29.5677 175.7252 115 K 4.3260 8.4797 124.0493 56.6092 32.7131 176.8077 116 L 4.8111 8.4192 124.2440 53.2798 43.7835 176.5992 117 T 4.1846 9.0685 112.0232 61.3922 70.0667 175.4205 118 D 4.3680 8.8430 122.4656 57.8964 40.9222 179.1324 119 E 3.8316 8.1086 118.3916 59.2713 29.5167 178.9520 120 E 4.0105 8.2072 118.8105 59.1896 29.3664 179.4236 121 V 3.6911 7.4979 118.1536 65.5357 31.5839 177.4752 122 D 4.3908 8.7708 119.7900 57.6457 40.4703 178.9685 123 E 3.8931 7.9692 117.8126 59.5282 29.5769 177.8468 124 M 4.1484 8.1219 118.4327 59.0822 32.1876 178.4602 125 I 3.6343 7.9836 119.7175 64.4757 37.0898 178.7009 126 R 3.9737 7.7743 120.1020 59.2216 29.9350 178.5598 127 E 4.5164 7.6907 114.3957 57.9769 30.2587 179.9188 128 A 4.6119 7.6008 119.0264 52.5519 21.7347 175.9655 129 D 4.9572 7.9377 115.2315 52.6888 40.7922 176.5639 130 I 3.7925 7.6957 121.7718 63.6124 37.8335 177.1079 131 D 4.5858 8.1185 117.2815 52.3505 39.8067 176.8364 132 G 3.9466 8.0189 107.6586 46.4878 0.0000 174.6562 133 D 4.3490 8.3056 118.9350 54.1307 39.6579 177.4783 134 G 3.9406 9.2291 109.3645 45.7183 0.0000 172.8564 135 Q 5.1870 8.7675 117.4259 53.6895 32.3973 175.0066 136 V 4.2989 9.0201 119.4809 60.8937 34.1121 174.8083 137 N 4.4466 8.4539 127.0973 51.2895 37.6811 174.7300 138 Y 4.0948 7.8502 127.5542 59.5365 38.3355 178.8277 139 E 3.7643 7.2669 120.3399 61.1449 30.0465 183.6805 140 E 4.1018 8.0622 119.8659 59.1691 29.5512 179.5307 141 F 4.2279 8.2005 120.4343 61.3698 39.2861 177.2821 142 V 3.3388 7.2258 116.2403 66.2782 31.6436 177.7571 143 T 3.9429 7.6752 115.0036 66.7121 68.0215 176.3676 144 M 3.9944 7.6730 119.1822 58.7947 32.4533 177.8700 145 M 4.0572 7.9227 117.0157 56.7762 33.2849 176.4637 146 T 4.6499 7.4329 116.7703 62.7440 68.9581 174.8152 147 S 4.2352 7.5598 120.7861 58.3053 63.4283 175.6888 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 Q 8.34 4.28 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 4 L 7.78 4.67 0.00 1.59 1.81 1.00 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 5 T 8.56 4.08 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 1.22 0.00 0.00 6 E 8.62 3.99 0.00 2.00 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 2.31 1.96 0.00 7 E 8.08 4.10 0.00 1.93 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 2.38 2.38 0.00 8 Q 8.02 3.50 0.00 1.75 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 9 I 7.21 3.60 1.99 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 1.44 0.79 1.14 0.00 0.00 10 A 8.21 4.03 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 11 E 8.34 4.00 0.00 2.09 2.03 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 2.55 2.46 0.00 12 F 8.80 4.84 0.00 3.49 3.51 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 13 K 8.87 3.93 0.00 2.05 1.80 0.00 1.40 0.00 0.00 1.47 0.00 0.00 2.67 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.15 0.50 7.81 14 E 7.84 3.99 0.00 2.28 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 2.38 2.67 0.00 15 A 8.24 4.20 1.56 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 0.00 0.00 16 F 9.04 3.81 0.00 3.32 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 17 S 8.50 4.20 0.00 3.97 4.24 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 18 L 8.08 3.84 0.00 1.32 1.17 0.66 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.67 4.57 0.00 2.80 3.14 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 0.00 0.00 0.00 20 D 7.67 4.55 0.00 2.54 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 *21 K 7.93 4.02 0.00 1.81 1.73 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 22 D 8.07 4.70 0.00 2.77 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 23 G 7.81 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 0.00 0.00 0.00 24 D 8.73 4.64 0.00 2.81 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 25 G 9.05 4.11 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 0.00 0.00 0.00 26 T 8.59 5.49 4.50 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 1.32 0.00 0.00 27 I 9.27 4.61 1.77 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.22 0.00 0.00 28 T 8.55 4.55 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 1.22 0.00 0.00 29 T 8.81 4.01 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 1.20 0.00 0.00 30 K 8.05 3.79 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.45 7.81 31 E 8.01 3.71 0.00 2.04 1.58 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 2.07 2.19 0.00 32 L 7.61 3.98 0.00 1.73 1.83 1.11 1.44 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 33 G 7.74 3.50 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 0.00 34 T 7.75 3.72 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 0.91 0.00 0.00 35 V 7.54 3.46 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 1.02 0.00 0.00 0.38 0.00 0.00 36 M 8.07 4.03 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 37 R 8.22 4.39 0.00 1.95 1.95 0.00 3.30 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.50 0.00 38 S 7.81 4.20 0.00 4.16 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 39 L 7.88 4.51 0.00 1.71 1.66 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.16 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 41 Q 8.03 4.56 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 42 N 8.15 5.24 0.00 2.77 2.78 0.00 0.00 6.10 7.75 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 43 P 0.00 4.56 0.00 2.18 2.09 0.00 3.81 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 1.96 1.93 0.00 44 T 8.59 4.43 4.54 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 1.25 0.00 0.00 45 E 8.96 3.90 0.00 2.14 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 2.53 2.33 0.00 46 A 7.93 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 47 E 8.34 3.90 0.00 2.23 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 2.31 2.35 0.00 48 L 8.03 3.96 0.00 1.88 1.70 0.89 0.79 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 49 Q 8.14 3.99 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 50 D 8.25 4.29 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 51 M 8.03 4.03 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 52 I 8.35 3.68 1.86 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 1.52 0.78 0.91 0.00 0.00 53 N 8.37 4.32 0.00 2.82 2.89 0.00 0.00 7.08 7.52 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 54 E 7.86 4.13 0.00 2.10 2.11 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 2.31 2.30 0.00 55 V 7.54 4.11 2.10 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 0.94 0.00 0.00 0.99 0.00 0.00 56 D 8.10 4.94 0.00 2.86 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 57 A 8.12 4.12 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 58 D 8.06 4.42 0.00 2.79 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 59 G 7.77 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 60 N 8.88 4.45 0.00 2.80 2.90 0.00 0.00 6.82 7.20 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 61 G 8.61 4.41 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 0.00 62 T 7.90 5.19 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 63 I 8.99 5.03 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.34 1.11 0.00 0.00 64 D 9.45 5.85 0.00 2.93 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 65 F 8.99 3.63 0.00 2.43 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 66 P 0.00 4.20 0.00 2.39 2.12 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 67 E 8.87 3.98 0.00 2.22 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 2.36 2.47 0.00 68 F 8.50 4.27 0.00 3.26 3.30 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 69 L 7.78 3.50 0.00 1.68 1.53 0.83 0.25 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 70 T 7.64 3.77 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 nan 0.00 0.00 71 M 7.67 3.96 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.91 0.00 72 M 7.48 3.76 0.00 1.50 1.58 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 1.13 1.65 0.00 73 A 7.76 3.95 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 74 R 7.94 3.97 0.00 1.94 2.00 0.00 3.07 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 75 K 8.10 3.99 0.00 1.89 1.88 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.47 7.81 76 M 8.31 4.16 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 77 K 7.74 4.34 0.00 1.90 1.73 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *78 D 7.59 5.06 0.00 2.63 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 79 T 7.52 4.72 4.24 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 1.32 0.00 0.00 80 D 8.33 4.72 0.00 2.70 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 81 S 8.84 4.39 0.00 3.97 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 82 E 8.75 4.06 0.00 2.06 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 2.39 2.38 0.00 83 E 8.23 3.94 0.00 2.13 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 2.40 2.51 0.00 84 E 8.40 4.29 0.00 2.25 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 2.35 2.38 0.00 85 I 8.05 4.32 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.12 1.16 0.00 0.00 *86 R 7.90 3.96 0.00 1.81 1.94 0.00 3.27 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 1.63 1.29 0.00 87 E 8.80 4.20 0.00 2.25 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 2.33 2.22 0.00 88 A 7.50 4.02 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 89 F 8.23 4.10 0.00 2.92 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 90 R 8.14 3.79 0.00 2.15 2.09 0.00 3.16 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 91 V 7.34 3.46 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 0.01 0.00 0.00 0.84 0.00 0.00 92 F 8.02 4.55 0.00 3.06 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 93 D 7.57 4.75 0.00 2.80 2.76 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 94 K 8.71 3.85 0.00 1.84 1.91 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 95 D 8.29 4.70 0.00 2.80 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 96 G 7.97 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 97 N 8.55 4.64 0.00 2.94 3.04 0.00 0.00 7.02 8.04 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 98 G 10.04 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 99 F 8.93 5.27 0.00 3.11 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 0.00 100 I 8.77 4.80 2.02 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 1.26 1.15 1.01 0.00 0.00 101 S 8.68 4.70 0.00 3.96 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 0.00 102 A 9.00 3.93 1.38 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 0.00 0.00 103 A 7.94 4.00 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 0.00 104 E 8.08 3.95 0.00 2.25 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 2.35 2.37 0.00 105 L 8.13 3.81 0.00 1.90 1.70 0.99 1.15 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 0.00 106 R 7.87 3.84 0.00 1.88 2.09 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 107 H 8.23 3.98 0.00 3.35 3.39 0.00 5.65 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 0.00 108 V 8.04 3.36 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 0.50 0.00 0.00 0.80 0.00 0.00 109 M 8.04 4.13 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 110 T 7.57 4.57 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 1.24 0.00 0.00 111 N 7.60 4.82 0.00 2.62 2.77 0.00 0.00 6.74 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 0.00 112 L 7.86 4.80 0.00 1.62 1.55 1.01 1.09 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 0.00 113 G 8.08 3.55 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 0.00 0.00 0.00 114 E 8.64 4.40 0.00 1.94 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 2.23 2.29 0.00 115 K 8.48 4.33 0.00 1.61 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 116 L 8.42 4.81 0.00 1.60 1.56 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 117 T 9.07 4.18 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 1.25 0.00 0.00 118 D 8.84 4.37 0.00 2.70 2.76 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 0.00 119 E 8.11 3.83 0.00 2.05 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 2.40 2.46 0.00 120 E 8.21 4.01 0.00 2.21 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 2.34 2.32 0.00 121 V 7.50 3.69 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 0.97 0.00 0.00 122 D 8.77 4.39 0.00 2.98 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 0.00 123 E 7.97 3.89 0.00 2.12 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 0.00 2.35 2.39 0.00 124 M 8.12 4.15 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.07 0.00 125 I 7.98 3.63 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.71 0.88 0.00 0.00 126 R 7.77 3.97 0.00 1.87 2.01 0.00 3.15 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 127 E 7.69 4.52 0.00 2.09 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 2.20 2.18 0.00 128 A 7.60 4.61 0.33 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 0.00 129 D 7.94 4.96 0.00 2.66 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 0.00 130 I 7.70 3.79 1.89 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 1.48 0.94 0.92 0.00 0.00 131 D 8.12 4.59 0.00 2.77 2.78 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 0.00 132 G 8.02 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 0.00 133 D 8.31 4.35 0.00 2.82 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 0.00 134 G 9.23 3.94 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 0.00 135 Q 8.77 5.19 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 136 V 9.02 4.30 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 0.78 0.00 0.00 0.85 0.00 0.00 137 N 8.45 4.45 0.00 2.30 2.44 0.00 0.00 7.43 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 0.00 138 Y 7.85 4.09 0.00 2.70 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 0.00 139 E 7.27 3.76 0.00 2.00 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 2.31 1.97 0.00 140 E 8.06 4.10 0.00 2.09 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 2.29 2.22 0.00 141 F 8.20 4.23 0.00 2.93 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 0.00 142 V 7.23 3.34 2.03 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 0.87 0.00 0.00 0.65 0.00 0.00 143 T 7.68 3.94 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 0.00 144 M 7.67 3.99 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.69 0.00 145 M 7.92 4.06 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.27 0.00 146 T 7.43 4.65 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 1.20 0.00 0.00 147 S 7.56 4.24 0.00 3.56 3.53 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 * Residues marked with a * may have inaccurate shift predictions.