NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2924 8.1593 117.3738 63.5517 69.8632 173.3007 2 S 4.4736 8.3081 120.3462 55.8271 65.1540 173.1234 3 K 3.9743 9.4741 123.0092 59.8420 32.7409 179.8287 4 K 3.8244 8.1302 118.0314 59.6867 31.8219 178.8723 5 K 3.9898 7.7560 117.1473 58.6064 32.0798 177.7690 6 R 4.4599 7.7075 116.3160 56.4767 30.7367 177.5721 7 Q 4.1950 8.1730 119.7612 57.0394 28.4500 175.7640 8 R 3.9270 7.5885 118.7993 59.1577 29.9621 176.2288 9 G 4.0767 8.9437 111.0631 45.5496 0.0000 173.9802 10 S 4.2234 7.9126 113.3838 58.2836 63.5647 174.2708 11 R 4.1446 7.9422 124.8612 57.4878 29.2122 176.6707 12 T 4.2463 7.6227 105.0835 61.5316 69.7206 174.1056 13 H 4.7104 8.3725 117.9177 56.0565 26.8675 175.5368 14 G 3.8999 8.4350 103.2893 46.1853 0.0000 174.9494 15 G 3.8495 8.2345 107.3862 45.1836 0.0000 176.0965 16 G 3.9605 7.8825 106.2751 44.6133 0.0000 173.8831 17 S 4.1945 8.5738 117.4076 58.6505 62.7823 174.6679 18 H 4.5369 8.8472 120.4418 56.8507 28.2664 175.7419 19 K 4.1315 7.7136 118.9985 56.7888 31.6919 177.4042 20 N 4.4071 7.6552 117.5550 55.5929 39.2099 177.0860 21 R 4.3557 7.4410 120.7919 56.6450 28.8146 177.5487 22 R 4.5772 7.3285 122.4694 56.2530 30.7927 179.9252 23 G 4.0267 8.5243 122.5182 46.1350 0.0000 173.8229 24 A 4.2339 8.6463 120.6362 54.2765 18.4181 179.9133 25 G 3.6302 8.0674 104.4945 47.9767 0.0000 174.9688 26 H 4.4745 7.9333 118.2724 57.8241 29.9521 175.7465 27 R 4.3846 8.0347 117.8981 55.5321 30.8569 175.9826 28 G 3.7866 8.3866 106.1373 46.7026 0.0000 174.8120 29 G 4.0186 8.3187 104.4187 44.3106 0.0000 174.2229 30 R 3.9989 8.5418 120.0820 57.1061 31.6469 176.2703 31 G 3.7810 8.2759 113.6489 47.5154 0.0000 173.3112 32 D 4.7290 8.5848 121.8462 54.0599 40.7900 175.6309 33 A 4.1495 7.4522 122.7241 53.7998 18.8837 179.1502 34 G 3.7653 8.9640 110.2962 45.2577 0.0000 175.0102 35 R 3.9683 7.7607 116.0367 57.5105 29.1966 177.2366 36 D 5.0626 7.8500 115.7667 52.6574 42.4006 175.8721 37 K 4.3186 8.9136 116.9547 57.0634 32.6462 177.0853 38 H 4.5658 9.6605 125.2927 58.2254 29.4650 176.2113 39 E 4.7622 7.6511 120.7354 55.6736 30.3623 177.9897 40 F 4.8077 8.3173 115.3408 59.2239 38.5811 175.1305 41 H 3.4545 5.5892 114.4558 57.3843 28.7120 174.4658 42 N 4.2693 8.8505 120.8462 54.9121 35.7519 173.7283 43 H 4.9302 7.6840 112.0052 53.6126 32.1739 174.0488 44 E 4.1888 8.6810 122.8199 55.2913 30.0251 175.2975 45 P 4.4351 0.0000 0.0000 62.7064 31.8393 176.1896 46 L 4.1163 8.0439 119.3570 55.0411 42.2108 175.7528 47 G 4.1781 8.0782 105.6981 43.6545 0.0000 173.2777 48 K 4.6050 8.0627 119.0470 54.8836 34.1897 176.6036 49 S 4.3615 8.4986 115.0794 58.2745 65.2814 175.6809 50 G 4.0461 9.2262 118.2222 45.1696 0.0000 171.4303 51 F 5.0012 8.4336 112.7092 55.5932 40.9619 173.2452 52 K 4.2582 8.2966 119.0801 54.4137 35.1356 176.5071 53 R 4.4362 8.0189 121.5251 54.1161 31.4243 174.7245 54 P 4.2671 0.0000 0.0000 63.2818 31.2554 177.0056 55 Q 3.8882 8.9745 120.9432 59.1020 28.7535 178.6180 56 K 4.4629 7.9459 113.9947 56.8304 32.6622 176.9251 57 V 4.3285 8.0708 116.7885 62.9076 32.0648 174.8340 58 Q 4.5967 7.5578 116.3113 54.4536 30.1853 174.7169 59 E 4.4804 8.5846 121.2552 54.4193 31.8758 174.9415 60 E 4.4247 8.3841 124.3051 54.2242 31.3540 174.3593 61 A 3.9721 8.2029 129.3419 51.3152 19.7458 176.3023 62 A 4.4312 9.2448 125.7965 51.0787 19.9381 176.7977 63 T 5.3985 8.0415 111.9028 60.5653 71.6688 173.9025 64 I 4.2558 7.7315 118.4939 60.3869 41.4461 172.5943 65 D 5.2433 8.4531 128.2863 53.2612 42.5404 177.8645 66 V 3.6326 8.6344 115.7425 64.6963 31.4559 178.8064 67 R 3.8821 7.8228 117.9442 59.6365 29.5702 178.1583 68 E 3.8879 8.0191 117.5312 59.3210 29.9698 178.4002 69 I 3.7749 7.7094 119.3143 64.5524 37.1024 177.4746 70 D 4.3196 8.5235 118.9358 57.6730 40.8783 178.2358 71 E 4.1969 8.3122 116.9860 57.9943 28.0809 176.9791 72 N 5.0524 8.0209 117.0223 52.9144 40.4561 177.3992 73 V 3.2876 7.5811 113.5378 64.7245 31.7882 178.9888 74 T 3.8959 7.6227 107.9742 64.7211 68.5351 175.4758 75 L 4.0874 7.1339 119.9606 56.9795 42.0626 177.2952 76 L 4.3946 7.5205 119.2635 53.8012 41.5171 178.3555 77 A 3.9948 8.1475 122.6135 55.3593 18.6598 178.1658 78 A 4.4759 7.7468 117.6925 52.0204 18.9395 177.3075 79 D 4.5604 8.2978 119.8209 56.1932 45.6512 176.0784 80 D 4.2367 7.5537 121.9708 49.2722 41.4602 175.4825 81 V 4.5447 8.3133 121.3465 61.1029 34.1768 174.7678 82 A 4.1944 8.1701 133.2753 51.6133 20.4775 177.1784 83 E 3.8167 8.9855 109.9507 59.6736 30.1464 174.1844 *89 F 4.6116 7.7486 114.2446 57.9511 41.0890 174.1571 90 R 5.2001 8.8030 120.5295 54.7935 32.5883 174.7574 91 V 4.4987 8.6546 125.9386 59.9108 35.0412 174.4374 92 D 4.6728 8.7046 123.9494 53.0446 41.3602 176.4493 93 V 3.5743 8.6246 127.7776 66.3667 31.6183 178.4255 94 R 3.9305 7.7350 116.9274 59.1679 29.8734 177.8015 95 D 4.6164 8.0838 116.6287 55.0850 41.2365 178.2124 96 V 3.9258 7.9902 119.0730 63.9797 32.3005 176.2003 97 V 3.5868 7.2895 116.8811 63.1549 31.5402 175.5614 98 E 4.1923 8.5932 126.0081 57.0835 30.1136 176.7902 99 E 4.3236 9.0378 117.0049 57.2638 26.8545 175.5135 100 A 4.4098 7.5321 119.4162 52.8009 18.5777 178.1496 101 D 4.7510 7.9063 117.3992 56.9047 42.3088 178.3666 102 D 4.4307 7.9826 116.2108 53.3397 38.2652 174.8940 103 A 4.8226 7.6358 122.7306 50.7327 21.0164 178.3053 104 D 4.4711 8.5966 121.4347 56.1160 41.7215 175.7087 105 Y 4.6971 6.4170 114.5765 56.8856 41.9285 172.2615 106 V 4.7518 8.8085 121.3833 61.3966 33.6575 174.4376 107 K 4.8789 9.2910 128.9959 54.5632 35.4912 174.5258 108 V 4.6569 8.3420 127.3991 61.5420 33.2399 174.6942 109 L 4.6709 9.4012 128.5393 52.5042 44.5114 176.7944 110 G 4.3526 8.1926 108.3953 45.4363 0.0000 173.4758 111 A 4.6281 8.1857 120.5062 51.6460 21.7526 179.3627 112 G 3.9844 8.9268 108.7369 44.5012 0.0000 172.2598 113 Q 4.4709 8.1233 117.1944 54.2467 30.9095 175.5218 114 V 4.3204 7.9338 117.4917 61.8749 32.8560 174.7292 115 R 4.4218 8.6552 125.6186 56.2263 30.2476 175.6435 116 H 5.2431 7.6251 113.7561 53.6865 33.1783 172.7217 117 E 4.9218 8.8314 117.8591 55.0678 30.3250 175.6898 118 L 5.0897 8.6045 124.1908 53.0501 45.8394 175.8572 119 T 4.9146 8.8594 119.8365 62.1337 70.3721 172.7799 120 L 5.2114 8.7058 127.2225 53.0953 44.3682 175.8787 121 I 5.5583 8.6793 123.2201 58.9183 40.0392 174.6607 122 A 4.7194 8.6553 127.1983 50.9449 22.1701 175.9377 123 D 4.4344 8.6640 117.4485 56.7957 42.0353 176.3722 124 D 4.5321 7.1835 115.5304 53.6230 44.4655 174.0526 125 F 5.5662 9.0050 120.2144 55.3529 43.6339 173.8571 126 S 4.7938 8.6312 114.4738 56.9841 65.5527 174.6639 127 E 4.0392 9.2157 121.0686 60.0895 29.2307 179.8307 128 G 3.8174 8.3056 104.4274 48.0904 0.0000 175.1689 129 A 4.0758 7.7598 122.8624 54.9445 18.4127 179.9383 130 R 3.7681 8.1370 116.4669 59.4454 30.1986 178.7872 131 E 3.9462 8.4263 118.6396 59.6751 29.3089 179.9041 132 K 3.9559 8.0576 117.9869 59.6161 32.1930 179.7440 133 V 3.6290 8.0355 118.3362 65.5803 31.2803 177.7916 134 E 4.8244 7.8591 119.9822 58.2699 29.4573 178.8676 135 G 3.8399 8.3881 104.7376 46.8491 0.0000 173.6105 136 A 4.6033 7.7554 123.4307 51.8108 19.5088 176.9677 137 G 4.1856 8.3567 105.6927 48.7326 0.0000 173.7449 138 G 4.9090 7.9153 105.1524 43.0138 0.0000 172.3544 139 S 5.0274 9.0084 112.9375 56.4925 67.0281 173.3473 140 V 4.5415 8.1445 120.1316 61.2027 33.6603 174.2173 141 E 4.5891 9.4700 128.6919 54.5545 31.5886 174.9192 142 L 4.9427 8.4585 127.1316 54.5190 43.3205 176.4670 143 T 4.1559 8.7825 123.2302 63.5469 69.6272 175.2572 144 D 4.3632 8.7464 121.6830 57.5032 41.0664 179.0665 145 L 3.9292 7.9759 119.9589 57.8112 42.2183 178.0604 146 G 3.7943 7.6275 105.9809 46.9814 0.0000 173.7535 147 E 4.3387 8.0380 120.5894 57.1587 29.5587 176.8604 148 E 4.8011 7.9325 112.9281 56.2863 30.3523 178.3896 149 R 4.5567 7.3939 116.4231 52.1355 30.9338 176.1757 150 Q 4.3026 7.8792 121.4069 56.8494 29.2992 173.0966 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 T 8.16 4.29 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 1.20 0.00 0.00 2 S 8.31 4.47 0.00 4.05 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 3 K 9.47 3.97 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.54 7.81 4 K 8.13 3.82 0.00 1.83 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.76 3.99 0.00 1.75 2.03 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.71 4.46 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 7 Q 8.17 4.20 0.00 1.84 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.97 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 8 R 7.59 3.93 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 8.94 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.91 4.22 0.00 4.00 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 11 R 7.94 4.14 0.00 1.97 2.08 0.00 3.21 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.62 4.25 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 1.32 0.00 0.00 13 H 8.37 4.71 0.00 3.23 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.44 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 0.00 0.00 0.00 15 G 8.23 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 16 G 7.88 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 17 S 8.57 4.19 0.00 3.88 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 18 H 8.85 4.54 0.00 3.31 3.37 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.71 4.13 0.00 1.73 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.28 1.31 7.81 20 N 7.66 4.41 0.00 2.72 2.59 0.00 0.00 6.94 8.22 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 21 R 7.44 4.36 0.00 1.76 1.89 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.33 4.58 0.00 1.73 0.94 0.00 3.24 0.00 0.00 3.19 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 23 G 8.52 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 0.00 0.00 0.00 24 A 8.65 4.23 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 25 G 8.07 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.93 4.47 0.00 3.10 3.49 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.03 4.38 0.00 2.01 1.92 0.00 3.31 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 28 G 8.39 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 29 G 8.32 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 0.00 0.00 0.00 30 R 8.54 4.00 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.28 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 0.00 0.00 0.00 32 D 8.58 4.73 0.00 2.73 2.68 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 33 A 7.45 4.15 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 34 G 8.96 3.77 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 0.00 0.00 0.00 35 R 7.76 3.97 0.00 1.67 1.97 0.00 2.73 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 36 D 7.85 5.06 0.00 2.73 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 37 K 8.91 4.32 0.00 1.71 1.62 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.66 4.57 0.00 3.32 3.46 0.00 5.46 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.65 4.76 0.00 1.95 1.93 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 2.29 2.10 0.00 40 F 8.32 4.81 0.00 3.22 3.22 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 0.00 41 H 5.59 3.45 0.00 2.97 3.05 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.85 4.27 0.00 2.81 2.86 0.00 0.00 6.88 8.16 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 43 H 7.68 4.93 0.00 3.34 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.68 4.19 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.44 0.00 2.19 2.09 0.00 3.79 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 2.01 2.02 0.00 46 L 8.04 4.12 0.00 1.66 1.64 0.91 0.93 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 47 G 8.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.06 4.61 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.50 4.36 0.00 3.80 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 50 G 9.23 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.43 5.00 0.00 3.12 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 52 K 8.30 4.26 0.00 1.67 1.60 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.35 7.81 53 R 8.02 4.44 0.00 1.73 1.86 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.37 0.00 54 P 0.00 4.27 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 8.97 3.89 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.95 4.46 0.00 1.86 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 8.07 4.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.94 0.00 0.00 58 Q 7.56 4.60 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.36 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 59 E 8.58 4.48 0.00 1.93 1.78 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 2.47 2.27 0.00 60 E 8.38 4.42 0.00 1.94 1.71 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 2.16 2.19 0.00 61 A 8.20 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.24 4.43 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 63 T 8.04 5.40 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 64 I 7.73 4.26 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 1.34 1.20 0.93 0.00 0.00 65 D 8.45 5.24 0.00 2.64 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 66 V 8.63 3.63 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 0.87 0.00 0.00 1.00 0.00 0.00 67 R 7.82 3.88 0.00 1.93 2.01 0.00 3.09 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 1.63 1.76 0.00 68 E 8.02 3.89 0.00 2.01 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 2.31 2.34 0.00 69 I 7.71 3.77 2.01 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 1.52 0.52 0.91 0.00 0.00 70 D 8.52 4.32 0.00 2.81 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 71 E 8.31 4.20 0.00 1.95 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 2.33 2.60 0.00 72 N 8.02 5.05 0.00 2.66 2.70 0.00 0.00 6.85 7.30 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 73 V 7.58 3.29 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 0.00 0.00 0.61 0.00 0.00 0.29 0.00 0.00 74 T 7.62 3.90 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 1.18 0.00 0.00 75 L 7.13 4.09 0.00 1.75 1.76 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.52 4.39 0.00 1.88 1.66 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.15 3.99 1.32 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 0.00 0.00 0.00 78 A 7.75 4.48 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 79 D 8.30 4.56 0.00 2.73 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 80 D 7.55 4.24 0.00 3.01 2.66 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 81 V 8.31 4.54 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 0.35 0.00 0.00 0.94 0.00 0.00 82 A 8.17 4.19 1.13 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 0.00 0.00 83 E 8.99 3.82 0.00 1.99 1.93 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 2.24 1.94 0.00 *89 F 7.75 4.61 0.00 3.01 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 90 R 8.80 5.20 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.65 4.50 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 0.69 0.00 0.00 0.96 0.00 0.00 92 D 8.70 4.67 0.00 2.78 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 93 V 8.62 3.57 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 0.86 0.00 0.00 0.99 0.00 0.00 94 R 7.73 3.93 0.00 2.05 2.01 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 95 D 8.08 4.62 0.00 2.78 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 96 V 7.99 3.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.29 3.59 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.59 4.19 0.00 2.06 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 2.38 2.31 0.00 99 E 9.04 4.32 0.00 2.17 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 2.26 2.23 0.00 100 A 7.53 4.41 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 0.00 101 D 7.91 4.75 0.00 2.69 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 0.00 102 D 7.98 4.43 0.00 2.80 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 0.00 103 A 7.64 4.82 1.24 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 0.00 0.00 104 D 8.60 4.47 0.00 2.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.42 4.70 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 0.00 106 V 8.81 4.75 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.29 4.88 0.00 2.01 1.66 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.51 7.81 108 V 8.34 4.66 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 1.00 0.00 0.00 0.77 0.00 0.00 109 L 9.40 4.67 0.00 1.73 1.57 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.19 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.19 4.63 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 0.00 112 G 8.93 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 0.00 113 Q 8.12 4.47 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.93 4.32 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 0.95 0.00 0.00 0.95 0.00 0.00 115 R 8.66 4.42 0.00 1.53 1.81 0.00 3.11 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.63 5.24 0.00 3.11 3.30 0.00 5.64 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 0.00 117 E 8.83 4.92 0.00 2.03 2.25 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 2.31 2.30 0.00 118 L 8.60 5.09 0.00 1.63 1.62 1.00 0.72 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 0.00 119 T 8.86 4.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 120 L 8.71 5.21 0.00 1.82 1.88 1.08 0.57 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 0.00 121 I 8.68 5.56 1.94 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 1.18 1.09 0.98 0.00 0.00 122 A 8.66 4.72 0.61 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 0.00 0.00 123 D 8.66 4.43 0.00 2.80 2.58 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 0.00 0.00 0.00 124 D 7.18 4.53 0.00 2.44 2.26 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 0.00 125 F 9.01 5.57 0.00 2.84 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 0.00 126 S 8.63 4.79 0.00 3.92 4.01 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 0.00 127 E 9.22 4.04 0.00 2.05 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 2.42 2.43 0.00 128 G 8.31 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 0.00 0.00 0.00 129 A 7.76 4.08 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.14 3.77 0.00 2.03 1.93 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 131 E 8.43 3.95 0.00 1.99 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 2.34 2.51 0.00 132 K 8.06 3.96 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.71 7.81 133 V 8.04 3.63 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 1.09 0.00 0.00 1.04 0.00 0.00 134 E 7.86 4.82 0.00 2.03 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 2.37 2.33 0.00 135 G 8.39 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 0.00 0.00 0.00 136 A 7.76 4.60 1.44 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 0.00 0.00 137 G 8.36 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 0.00 0.00 0.00 0.00 138 G 7.92 4.91 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 0.00 139 S 9.01 5.03 0.00 3.79 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 0.00 140 V 8.14 4.54 1.66 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 -0.85 0.00 0.00 0.45 0.00 0.00 141 E 9.47 4.59 0.00 1.95 1.87 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 2.23 2.21 0.00 142 L 8.46 4.94 0.00 1.67 1.61 1.22 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.78 4.16 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 144 D 8.75 4.36 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 0.00 145 L 7.98 3.93 0.00 1.61 1.85 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.63 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 0.00 147 E 8.04 4.34 0.00 2.06 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 2.34 2.46 0.00 148 E 7.93 4.80 0.00 1.84 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 2.17 2.57 0.00 149 R 7.39 4.56 0.00 1.74 1.82 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 150 Q 7.88 4.30 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.