NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0741 8.5798 109.1320 45.3131 0.0000 176.6716 *2 E 3.9633 8.9782 119.8673 55.9881 30.8553 174.2876 3 Y 4.6371 7.2998 117.7790 55.4966 41.5021 173.8394 4 Q 4.5524 8.1956 118.6886 53.9279 31.3787 175.5975 5 L 4.6029 8.3858 123.2091 54.7346 42.6765 176.1755 6 Q 4.8769 9.0455 121.4075 54.3067 33.7765 173.8446 7 Q 5.3461 8.7881 117.4244 54.7420 32.0808 174.2686 8 L 5.0595 9.2953 120.9759 52.8139 45.4695 176.3248 9 A 4.7807 8.6001 124.2252 51.4175 20.0793 177.0699 10 S 4.5812 8.6063 114.7302 58.9310 64.0531 174.0337 11 L 4.9616 8.9413 123.1764 53.2213 45.8306 175.4980 12 T 4.8249 8.2931 117.9879 62.3950 70.3341 173.5034 13 L 4.9650 9.0493 127.2374 52.8260 44.4664 175.5840 14 V 4.5313 8.3353 123.8774 61.0322 33.9497 175.0698 15 G 4.0910 7.7856 114.9555 45.9541 0.0000 171.0174 16 I 4.9754 8.2824 121.1204 59.3905 40.5787 175.1495 17 K 4.9583 8.8114 126.7617 54.6941 34.7612 174.8132 18 E 4.4299 8.9581 125.0572 54.6000 33.2597 175.0073 19 T 4.4268 7.8719 119.0795 61.7534 71.0383 173.2561 20 Y 4.8521 8.0246 124.7573 56.2879 41.3799 176.2211 21 E 4.1258 8.8723 117.4805 59.1507 30.1094 177.1317 22 N 5.0965 7.8105 114.1192 50.8968 39.9828 175.0444 23 G 3.8074 8.7891 104.1723 48.3949 0.0000 175.8973 24 R 3.9707 7.9958 120.0443 59.0999 30.0219 179.0573 25 Q 3.9885 8.4542 116.4978 58.5775 28.9005 178.4110 26 A 3.1115 7.9603 121.9977 55.1221 18.2562 179.5336 27 Q 3.9000 7.5425 114.5544 59.3329 28.8740 178.9879 28 Q 4.1058 7.6387 117.1575 57.7159 29.1875 176.9159 29 H 4.6751 7.7397 116.2210 56.1982 30.0892 176.7355 30 I 3.6859 7.4506 121.5246 64.2110 36.8321 177.8140 31 A 4.2738 8.1276 121.2442 55.3265 18.1815 179.7689 32 G 3.6366 8.1711 103.7089 47.8063 0.0000 175.5525 33 F 4.5373 8.4066 122.9726 61.1040 39.3712 177.2456 34 W 3.9088 8.4292 118.6195 59.6913 28.8950 178.1743 35 Q 4.1713 8.5777 119.6625 59.4039 28.4711 178.6696 36 R 4.2432 8.3830 120.5809 59.0493 30.1562 178.7516 37 C 4.0688 8.2623 116.4981 63.0119 28.0597 175.7417 38 Y 4.0569 8.2672 118.3660 61.4743 37.5625 178.7995 39 Q 4.1228 8.8113 119.0705 58.9419 28.6173 178.4446 40 E 4.4328 8.4264 117.6571 56.6441 30.1582 177.5714 41 G 3.9859 8.0208 107.8702 45.6173 0.0000 175.5644 42 V 3.6671 7.9085 121.0007 65.8407 31.4238 178.2167 43 I 3.4803 7.5621 118.9056 64.2152 36.7157 178.0926 44 A 4.0063 7.8503 120.0422 55.1245 18.4427 178.7013 45 D 4.4268 8.0751 116.4608 57.5849 41.3843 178.5363 46 L 3.7545 8.0860 119.6747 57.7368 41.1899 179.5074 47 Q 4.0499 8.2192 117.9190 58.6083 28.3487 178.5725 48 L 4.0720 7.4342 119.3560 56.7884 41.7532 178.4790 49 K 4.4255 7.6286 116.3940 55.4979 32.4920 176.1575 50 N 4.4412 7.2255 118.8546 53.8491 38.7409 173.9659 51 N 4.5598 9.1667 123.5709 52.5756 37.7955 176.2966 52 G 3.9545 8.5641 107.4708 45.6709 0.0000 174.3797 53 D 4.4767 8.4164 119.9050 56.4648 41.0127 177.1510 54 L 4.6028 7.4631 116.7869 52.7262 44.1768 177.2427 55 A 4.2832 8.7204 127.2232 49.2480 17.1075 177.2373 56 G 4.0531 7.1151 108.0388 44.7630 0.0000 168.7711 57 I 4.5754 8.0434 119.7250 59.2395 40.6826 175.0343 58 L 5.1438 9.1403 128.5792 53.4885 44.1625 176.0639 59 G 4.5737 9.3551 110.7666 43.8037 0.0000 171.1188 60 L 4.8572 7.5982 129.2349 53.7158 43.9415 174.6811 61 C 4.8031 9.0113 125.1326 58.7586 29.6221 172.8600 62 I 4.5834 8.6894 126.0224 58.3194 37.8139 173.0841 63 P 4.4426 0.0000 0.0000 62.7576 32.0139 176.0306 64 E 4.5711 9.3346 124.3348 54.7553 31.1366 177.3182 65 L 3.9511 8.7004 123.9296 58.9401 41.7660 178.8294 66 D 4.6590 8.0222 114.2179 53.3413 39.4736 179.1378 67 G 4.1817 8.0538 109.4352 46.2322 0.0000 176.9367 68 K 4.9692 7.4429 121.8656 55.7532 32.2660 175.8256 *70 S 4.6159 8.3853 118.7559 59.9225 64.9074 172.4948 71 Y 5.6973 8.5230 122.7335 54.9228 43.0784 173.4729 *73 I 3.9188 8.1297 118.4933 61.1302 38.6312 175.0807 74 A 4.9399 8.4949 127.2887 50.9384 23.1844 174.9835 75 V 4.6838 8.3365 118.3875 59.6554 35.4732 175.0387 76 T 4.3592 8.2489 112.5852 61.7817 69.9617 173.7050 77 G 4.4275 8.7699 112.4198 44.6361 0.0000 171.3762 78 D 4.7818 8.5037 119.1271 53.2577 41.9681 176.0633 79 N 4.6619 8.2771 120.5397 52.8530 39.7239 174.1643 80 S 4.5109 7.9055 116.8010 57.6785 65.3373 176.9414 81 A 3.8345 8.2311 123.1495 55.3982 18.4907 179.3918 82 D 4.4676 8.5808 118.0762 58.5584 40.7707 179.8337 83 I 3.9804 7.4040 119.0743 64.4124 35.1001 179.3920 84 A 4.2209 7.8207 119.7072 55.6893 18.0983 179.3021 85 K 3.9037 7.4399 115.3220 59.7631 32.6835 177.0401 86 Y 4.5014 7.1113 116.2472 56.3394 39.8136 175.0446 87 D 4.5522 9.0891 120.8375 54.5648 42.1681 176.5036 88 V 4.8487 8.4198 122.1628 61.1942 33.6127 173.9664 89 I 4.6712 8.7498 121.0341 59.1836 41.5420 174.2388 90 T 4.8985 8.3066 118.8951 61.9223 70.0109 174.2475 91 L 4.4639 8.8602 129.9701 53.4994 42.9762 175.7591 92 A 4.6160 8.8897 128.7586 51.0505 19.1732 177.0103 93 S 4.4659 8.6339 115.3344 59.5552 63.5847 173.4801 94 S 4.5748 8.7013 114.2123 57.5408 66.2701 174.1821 95 K 4.8559 8.3301 123.0475 56.1575 33.6485 175.0299 96 Y 4.6132 8.9541 122.7445 57.1028 43.1575 175.9593 *98 V 3.8233 8.4180 126.0133 63.9001 32.8447 175.1962 99 F 4.9726 9.2097 126.9435 56.0073 42.0207 174.5390 100 E 5.1795 8.7518 118.7529 54.6211 32.2646 175.3582 101 A 4.7089 9.1741 126.4910 50.2480 21.4259 175.0872 102 Q 4.8762 10.1723 124.2381 53.6152 30.9448 175.5083 103 G 4.5272 8.6644 113.9764 42.6711 0.0000 171.7808 104 A 4.2885 8.3321 123.6665 52.0402 18.7253 177.1529 105 V 4.2199 8.5285 123.8656 61.7381 32.5016 174.8132 106 P 4.6391 0.0000 0.0000 63.4962 31.7855 177.7332 107 K 3.8395 8.0701 119.8694 59.8482 32.0981 178.1490 108 A 4.0086 8.3337 121.0969 55.0752 18.0213 179.8405 109 V 3.6396 7.7403 115.6165 66.3611 31.8467 177.9044 110 Q 4.2302 8.1672 116.8217 58.8481 28.8130 178.3277 111 Q 4.2128 8.4206 119.5129 58.6310 28.8224 179.9603 112 K 3.9436 8.0670 120.2211 56.4496 32.3132 178.2377 *114 E 4.3084 8.2013 119.7891 55.8429 31.6131 177.3699 115 E 4.0050 8.1291 118.2319 59.3027 29.3502 179.4391 116 V 3.1782 7.9880 118.5775 66.2639 31.4463 177.6456 117 H 4.0877 7.9613 115.3251 59.2004 28.5441 177.0440 118 H 4.1355 8.3261 119.8598 59.4088 29.6301 176.6230 119 Y 4.1119 8.4310 121.7212 60.8123 38.5426 178.2129 120 I 3.5011 8.0442 120.9049 64.6116 37.0054 177.8893 121 H 4.0093 8.2664 118.2102 58.9688 29.6195 176.7799 122 Q 3.8306 7.3301 118.7932 57.3788 28.9849 176.1664 123 Y 4.8315 7.5670 113.2283 57.6679 39.8344 175.6410 124 Q 4.6338 8.3109 119.0966 54.0409 30.2664 177.4216 125 A 3.9191 8.3760 123.0711 54.8910 18.5314 179.0691 126 N 4.8769 8.0506 109.8740 53.2522 38.8605 175.0985 127 T 4.6415 7.4337 109.6749 61.9835 71.6523 174.8565 128 V 3.9821 7.7243 121.3219 61.4875 32.2189 175.7132 129 K 4.4932 8.3719 123.7393 55.1063 34.2545 177.0008 130 S 4.5101 8.6438 122.3176 57.1948 61.4242 172.9570 131 A 4.7561 7.8033 126.1891 49.6254 22.4605 174.1954 132 P 4.9000 0.0000 0.0000 62.9890 32.1319 176.2749 133 F 5.6421 8.7050 116.9911 55.4107 41.8610 173.5453 134 F 5.5373 8.9435 113.6248 55.6921 41.7831 172.8759 135 E 5.0808 9.5046 120.1113 55.1191 31.7449 174.8765 136 L 5.1105 9.0467 125.9124 53.5400 45.2423 174.5033 137 Y 5.0414 9.5562 124.9610 55.4296 39.6909 175.7106 138 Q 4.7069 8.8474 122.8116 55.4212 30.0594 175.5158 139 D 4.6335 8.7393 119.2757 53.6740 42.2229 177.1095 140 G 3.8362 7.7625 109.0770 45.8108 0.0000 171.9679 141 D 4.5857 8.1500 121.0389 52.7623 40.4405 177.8946 142 T 3.0787 7.7843 116.1254 62.6375 69.0219 176.2462 143 T 4.1927 7.7718 111.9473 62.5650 69.7274 175.1781 144 S 4.3459 7.9577 118.3876 58.0888 63.2005 174.4430 145 E 4.2586 8.7839 124.7369 58.0706 29.4733 177.8664 146 K 4.5745 7.9528 117.3319 56.2247 32.9507 176.3022 147 Y 4.1573 8.1064 123.5720 57.7218 39.9874 174.4680 148 I 4.7164 7.2619 126.5508 59.8265 39.4059 174.8708 149 T 4.5621 8.7601 124.0222 61.7457 71.3320 173.3688 150 E 4.9309 8.6990 125.3290 55.4524 31.9370 175.2386 151 I 5.0450 8.9086 124.3651 59.5926 40.2161 175.1346 152 W 4.8093 9.2481 127.1533 54.0236 32.6656 172.9898 *154 P 4.2862 0.0000 0.0000 62.9826 32.1268 175.9829 155 V 4.8832 8.3791 114.9237 59.2087 35.8339 175.5356 156 K 4.0688 9.0184 122.2411 56.7972 32.8239 177.9306 157 G 3.5759 8.8404 110.6567 45.4348 0.0000 173.7390 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 0 G 8.58 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 8.98 3.96 0.00 1.97 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 2.18 2.16 0.00 3 Y 7.30 4.64 0.00 2.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.20 4.55 0.00 1.71 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.86 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 5 L 8.39 4.60 0.00 1.54 1.63 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 9.05 4.88 0.00 1.78 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 7 Q 8.79 5.35 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 8 L 9.30 5.06 0.00 1.88 1.67 0.65 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.60 4.78 1.26 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 0.00 0.00 10 S 8.61 4.58 0.00 3.81 3.80 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 11 L 8.94 4.96 0.00 1.44 1.40 0.74 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.29 4.82 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 13 L 9.05 4.97 0.00 1.41 1.39 0.68 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.34 4.53 1.88 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 0.85 0.00 0.00 0.86 0.00 0.00 15 G 7.79 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 0.00 0.00 0.00 0.00 16 I 8.28 4.98 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 1.08 0.00 0.00 17 K 8.81 4.96 0.00 1.71 1.61 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.52 7.81 18 E 8.96 4.43 0.00 1.16 1.12 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 1.63 1.47 0.00 19 T 7.87 4.43 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 1.13 0.00 0.00 20 Y 8.02 4.85 0.00 2.98 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 21 E 8.87 4.13 0.00 1.89 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 1.88 0.00 22 N 7.81 5.10 0.00 2.92 2.97 0.00 0.00 6.13 6.94 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 23 G 8.79 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 0.00 0.00 0.00 24 R 8.00 3.97 0.00 1.93 1.99 0.00 3.31 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 25 Q 8.45 3.99 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 26 A 7.96 3.11 1.48 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 0.00 0.00 27 Q 7.54 3.90 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 28 Q 7.64 4.11 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 29 H 7.74 4.68 0.00 2.48 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.45 3.69 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.56 0.61 0.00 0.00 31 A 8.13 4.27 1.35 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 32 G 8.17 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.41 4.54 0.00 3.17 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 34 W 8.43 3.91 0.00 3.67 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 35 Q 8.58 4.17 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 36 R 8.38 4.24 0.00 2.19 2.08 0.00 3.29 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 37 C 8.26 4.07 0.00 2.81 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 38 Y 8.27 4.06 0.00 3.32 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 39 Q 8.81 4.12 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 40 E 8.43 4.43 0.00 1.97 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 2.35 2.49 0.00 41 G 8.02 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 0.00 0.00 0.00 42 V 7.91 3.67 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 1.12 0.00 0.00 0.99 0.00 0.00 43 I 7.56 3.48 1.52 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.36 0.75 0.00 0.00 44 A 7.85 4.01 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 45 D 8.08 4.43 0.00 3.02 2.91 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 46 L 8.09 3.75 0.00 1.67 1.47 0.62 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.22 4.05 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 48 L 7.43 4.07 0.00 1.75 1.73 0.93 0.87 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 K 7.63 4.43 0.00 1.75 1.77 0.00 1.53 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.57 7.81 50 N 7.23 4.44 0.00 2.73 2.80 0.00 0.00 7.12 7.46 0.00 0.00 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 N 9.17 4.56 0.00 2.79 2.86 0.00 0.00 7.13 7.02 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 52 G 8.56 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 53 D 8.42 4.48 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.46 4.60 0.00 1.38 1.33 0.20 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.72 4.28 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 56 G 7.12 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 57 I 8.04 4.58 1.97 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 1.51 1.30 1.23 0.00 0.00 58 L 9.14 5.14 0.00 1.61 1.41 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.36 4.57 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 0.00 60 L 7.60 4.86 0.00 1.59 1.34 0.98 0.85 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 61 C 9.01 4.80 0.00 1.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.69 4.58 1.86 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 1.20 0.54 0.92 0.00 0.00 63 P 0.00 4.44 0.00 2.04 2.14 0.00 3.77 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 2.28 2.50 0.00 64 E 9.33 4.57 0.00 2.07 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 0.00 2.42 2.41 0.00 65 L 8.70 3.95 0.00 1.64 1.76 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.02 4.66 0.00 2.70 2.54 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 67 G 8.05 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 68 K 7.44 4.97 0.00 1.85 1.80 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.75 1.44 7.81 *70 S 8.39 4.62 0.00 3.93 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 71 Y 8.52 5.70 0.00 3.31 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *73 I 8.13 3.92 1.12 0.00 0.00 -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 -0.30 -0.36 0.12 0.00 0.00 74 A 8.49 4.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.34 4.68 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 0.77 0.00 0.00 0.85 0.00 0.00 76 T 8.25 4.36 4.13 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 1.01 0.00 0.00 77 G 8.77 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.50 4.78 0.00 2.66 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 79 N 8.28 4.66 0.00 2.64 2.69 0.00 0.00 6.90 7.63 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 80 S 7.91 4.51 0.00 3.97 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 81 A 8.23 3.83 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 82 D 8.58 4.47 0.00 2.79 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 83 I 7.40 3.98 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 1.45 0.73 0.91 0.00 0.00 84 A 7.82 4.22 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 85 K 7.44 3.90 0.00 1.95 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.36 7.81 86 Y 7.11 4.50 0.00 2.99 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 87 D 9.09 4.55 0.00 2.85 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 88 V 8.42 4.85 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 0.82 0.00 0.00 0.98 0.00 0.00 89 I 8.75 4.67 1.85 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 1.18 0.67 0.89 0.00 0.00 90 T 8.31 4.90 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 1.21 0.00 0.00 91 L 8.86 4.46 0.00 1.69 1.51 1.04 0.77 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 92 A 8.89 4.62 1.26 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 0.00 0.00 93 S 8.63 4.47 0.00 4.08 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 94 S 8.70 4.57 0.00 3.82 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 95 K 8.33 4.86 0.00 1.88 1.72 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.49 7.81 96 Y 8.95 4.61 0.00 2.94 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 *98 V 8.42 3.82 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 0.08 0.00 0.00 -0.65 0.00 0.00 99 F 9.21 4.97 0.00 2.94 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 0.00 100 E 8.75 5.18 0.00 1.79 1.79 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 2.14 2.20 0.00 101 A 9.17 4.71 1.26 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 0.00 0.00 102 Q 10.17 4.88 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.14 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 103 G 8.66 4.53 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 0.00 0.00 0.00 104 A 8.33 4.29 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 0.00 105 V 8.53 4.22 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 0.60 0.00 0.00 0.96 0.00 0.00 106 P 0.00 4.64 0.00 2.32 2.26 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 107 K 8.07 3.84 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 108 A 8.33 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 0.00 109 V 7.74 3.64 2.38 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 1.09 0.00 0.00 1.15 0.00 0.00 110 Q 8.17 4.23 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 111 Q 8.42 4.21 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.13 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 112 K 8.07 3.94 0.00 1.98 1.91 0.00 1.51 0.00 0.00 1.58 0.00 0.00 3.19 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.42 7.81 *114 E 8.20 4.31 0.00 2.19 2.16 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 2.27 1.91 0.00 115 E 8.13 4.01 0.00 2.12 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 2.60 2.46 0.00 116 V 7.99 3.18 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 0.57 0.00 0.00 0.25 0.00 0.00 117 H 7.96 4.09 0.00 3.31 3.25 0.00 5.68 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 0.00 118 H 8.33 4.14 0.00 3.26 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.43 4.11 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.04 3.50 1.97 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 1.44 0.71 0.86 0.00 0.00 121 H 8.27 4.01 0.00 3.10 3.45 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.33 3.83 0.00 1.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.47 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 123 Y 7.57 4.83 0.00 2.31 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.31 4.63 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 1.95 2.36 0.00 125 A 8.38 3.92 1.20 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 0.00 0.00 0.00 126 N 8.05 4.88 0.00 2.69 2.82 0.00 0.00 6.70 7.54 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 0.00 127 T 7.43 4.64 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 1.21 0.00 0.00 128 V 7.72 3.98 2.05 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 0.68 0.00 0.00 0.93 0.00 0.00 129 K 8.37 4.49 0.00 1.77 1.69 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.40 7.81 130 S 8.64 4.51 0.00 3.93 3.86 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 0.00 131 A 7.80 4.76 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 0.00 132 P 0.00 4.90 0.00 2.08 2.11 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 133 F 8.70 5.64 0.00 3.37 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 0.00 134 F 8.94 5.54 0.00 3.09 3.04 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 0.00 0.00 0.00 135 E 9.50 5.08 0.00 2.19 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 0.00 2.45 2.51 0.00 136 L 9.05 5.11 0.00 1.90 1.71 0.86 0.92 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 0.00 137 Y 9.56 5.04 0.00 3.03 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 0.00 138 Q 8.85 4.71 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 139 D 8.74 4.63 0.00 2.71 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 0.00 140 G 7.76 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 0.00 141 D 8.15 4.59 0.00 2.77 2.63 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 0.00 142 T 7.78 3.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 143 T 7.77 4.19 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 1.10 0.00 0.00 144 S 7.96 4.35 0.00 4.10 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 0.00 145 E 8.78 4.26 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 2.41 2.29 0.00 146 K 7.95 4.57 0.00 1.64 1.85 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.42 7.81 147 Y 8.11 4.16 0.00 3.35 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 0.00 148 I 7.26 4.72 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.80 0.00 0.00 149 T 8.76 4.56 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 0.81 0.00 0.00 150 E 8.70 4.93 0.00 2.23 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 2.32 0.00 151 I 8.91 5.05 1.99 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 1.34 0.73 1.00 0.00 0.00 152 W 9.25 4.81 0.00 1.78 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 0.00 0.00 0.00 *154 P 0.00 4.29 0.00 2.03 1.99 0.00 3.82 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 155 V 8.38 4.88 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.89 0.00 0.00 156 K 9.02 4.07 0.00 1.58 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.56 7.81 157 G 8.84 3.58 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.