NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8319 8.1833 123.0927 58.1240 41.3389 173.2795 4 I 4.2390 7.3518 126.4385 58.8421 38.7600 172.9321 5 Y 4.6347 9.4122 130.7238 55.8258 41.1782 174.2634 6 R 4.4106 7.9688 125.7993 55.2742 31.6744 176.0726 7 R 4.1851 7.7596 120.3739 54.6445 35.0370 173.8252 8 R 4.9697 7.9835 121.1020 54.2657 33.1001 175.2289 9 V 4.0629 8.8039 126.4982 63.0393 32.7307 175.5927 10 Q 4.7706 9.0735 127.2805 54.9237 30.0914 176.8140 11 F 3.8305 9.2150 123.1530 61.4837 39.4552 176.9746 12 Y 4.3092 8.0217 116.2782 59.1612 38.0666 176.5505 13 E 3.9819 7.5388 119.9674 57.7013 29.8889 176.7443 14 T 4.6378 7.2210 109.5493 60.3596 70.4437 172.7433 15 D 4.9299 8.2198 120.4787 51.0100 42.2037 176.3063 16 A 3.9279 8.4978 120.7182 55.1018 18.2507 178.3627 17 Q 4.0305 8.7637 115.8258 56.8005 29.1420 176.6661 18 G 3.9550 8.4373 105.4116 46.3721 0.0000 172.7650 19 I 5.0373 7.1858 111.8893 58.2780 41.8033 174.3806 20 V 4.1597 8.2684 123.2723 62.8198 31.9402 175.2833 21 H 4.2465 8.9447 128.8159 56.3488 30.2136 175.6972 22 H 4.0743 8.8373 122.0229 59.1157 27.9961 177.6271 23 S 4.4890 7.7530 115.9499 61.1242 62.9602 175.7516 24 N 4.3167 8.4298 120.1570 55.4701 38.0841 176.7942 25 Y 3.1278 7.5709 118.9808 60.7698 37.8835 178.5639 26 F 4.1253 7.2951 117.3175 60.2172 38.8912 177.9848 27 R 4.0033 7.5258 117.6697 59.2241 30.0645 178.1746 28 Y 4.4835 7.4556 116.6708 61.3243 37.8115 178.8143 29 F 4.4471 7.8818 118.9548 60.4796 38.7998 177.3691 30 E 3.9920 8.0976 118.6830 59.2354 29.4582 178.7361 31 E 3.8367 8.3233 118.5115 59.2050 29.5015 179.1419 32 A 3.5069 7.8105 120.6848 55.1161 18.4751 179.8707 33 R 3.7365 8.2249 116.7545 59.1252 30.1086 179.4211 34 G 3.6631 8.1470 105.5781 48.1342 0.0000 175.6650 35 E 4.0803 8.1472 121.3832 58.5377 29.2058 179.2953 36 F 2.6694 7.7084 120.2022 60.8372 39.7078 176.9292 37 L 3.7508 7.9031 118.6437 57.5627 41.2946 179.4388 38 R 3.8991 7.9829 118.9737 59.3776 29.8379 178.6472 39 S 4.1477 7.9237 112.7048 60.5093 63.0053 175.5715 40 K 4.2046 7.4766 120.4836 56.2148 32.2747 177.4494 41 G 3.9832 8.5837 108.4098 45.2088 0.0000 174.0578 42 F 5.0651 7.4004 120.4809 54.6432 39.5405 172.8319 43 P 4.5015 0.0000 0.0000 61.8023 33.5786 175.7783 44 Y 4.2600 8.6210 120.8615 60.9474 38.7172 178.5886 45 S 3.8839 8.1309 114.7740 61.4437 62.7749 176.4049 46 K 4.0255 7.9423 122.6453 59.2761 32.0126 178.4608 47 M 4.1161 7.8352 118.8745 58.6357 31.9120 178.9378 48 R 4.6071 7.6311 119.3699 58.8853 29.9258 178.6573 49 D 4.4462 7.8310 118.0215 56.8345 40.9702 177.7634 50 M 4.6513 7.7851 116.2763 55.1858 32.9101 177.0219 51 G 3.9102 7.8438 106.0624 47.0462 0.0000 174.0037 52 L 4.6952 7.8853 120.0337 53.3232 43.8630 175.3568 53 E 5.0096 8.8958 122.7123 54.5437 33.2768 174.1308 54 V 4.7568 8.8522 127.0298 61.6684 32.8100 174.9189 55 V 4.4465 8.7805 128.6277 61.0095 33.9141 174.0636 56 L 4.5663 8.4574 129.6730 54.7660 42.3094 175.9627 57 L 4.4778 8.7951 127.1428 56.9007 42.7874 176.6295 58 N 4.8504 7.6241 112.7019 52.0921 40.2238 173.4045 59 A 5.2934 8.3999 120.7773 50.8620 22.6309 174.8181 60 Y 5.0447 9.1978 121.0705 56.5278 42.9813 173.4814 61 C 4.7331 7.5949 123.7299 57.8451 34.9316 172.4684 62 E 4.5093 9.0185 124.5526 54.5889 32.0162 174.2001 63 Y 4.5146 8.6060 120.3980 56.7411 39.2329 174.9640 64 K 4.3463 8.8605 123.7999 57.7885 32.9681 176.8107 65 K 4.7889 8.0575 118.4427 53.6834 35.3212 174.1256 66 P 4.5892 0.0000 0.0000 62.5419 33.0762 174.9199 67 L 4.4008 8.1278 118.6209 52.8243 44.9119 176.3317 68 F 5.3038 9.2572 121.2554 55.2090 41.8011 174.5497 69 Y 4.3442 8.5356 122.9777 59.4147 38.8890 175.6648 70 D 4.1149 8.3695 124.3832 54.4168 40.6258 173.1528 71 D 4.5926 7.7883 118.5918 54.3335 41.9142 175.5342 72 V 4.4579 8.3984 124.0380 62.2493 32.6414 174.8049 73 F 5.2083 9.2808 122.0435 55.6386 42.2339 172.8105 74 E 4.9815 9.5658 118.0352 54.4716 33.7372 175.4946 75 V 4.9780 8.7716 123.2915 61.7452 34.1002 174.0391 76 H 5.3690 9.4256 126.9988 54.9049 29.8382 174.7473 77 L 4.9504 8.8633 126.3437 53.9497 44.3682 175.1982 78 N 4.6320 8.0228 118.5971 52.2165 43.0848 173.2434 79 L 4.0675 8.6773 128.9971 55.8289 42.1873 175.5796 80 E 4.3134 9.6484 131.5729 58.7226 30.2042 176.2773 81 E 4.9391 7.7810 114.9307 54.8895 34.9250 175.5726 82 L 5.1504 8.3860 119.0894 55.3244 45.9011 176.4737 83 S 4.7688 9.2484 120.8595 56.7828 66.6456 173.8751 84 R 4.1705 8.6846 116.9773 60.5589 28.9076 175.2512 *85 F 4.8471 8.0935 112.6074 56.5713 40.5516 178.1919 86 T 5.2411 7.5887 108.3891 60.9983 72.8759 172.6668 87 F 5.3215 8.4727 115.9422 55.8565 41.6247 173.2789 88 T 4.9574 8.8390 118.2622 61.7811 71.6905 172.9391 89 F 5.2976 9.2653 124.3343 55.6567 42.0592 174.7476 90 S 5.1348 8.8153 117.8168 56.9920 66.0153 172.6393 91 Y 5.2317 9.1414 118.1521 56.5640 42.6377 174.2052 92 I 4.7305 8.7552 122.8707 59.5054 41.1259 174.5328 93 V 4.6376 8.7824 128.0358 61.7738 32.8042 174.3106 94 F 5.4720 9.4175 128.0370 55.7127 41.5212 174.9608 95 K 4.6739 8.8864 124.6018 54.5447 34.7797 175.5811 96 E 3.4748 9.5796 129.8011 57.6564 27.7681 174.3448 97 D 4.3735 8.5115 112.9462 54.4701 38.7973 173.6724 98 I 4.4722 7.5394 120.8273 58.9720 39.0236 174.8049 99 A 4.0042 8.8647 128.6308 52.5474 18.2920 177.0482 100 V 4.1665 9.0892 123.9509 63.3151 33.4666 175.8219 101 A 4.6230 7.2184 120.0695 51.0309 22.2686 174.9689 102 K 4.9299 8.2621 120.0383 55.0182 36.3996 174.9819 103 A 4.7934 8.7232 126.2876 51.8349 23.4642 174.3244 104 N 5.6676 8.9865 114.9786 52.7490 41.1988 173.8982 105 T 5.2556 9.3296 109.8225 60.1519 72.7899 172.3703 106 K 4.8880 8.8370 125.3793 55.0999 35.2581 174.4501 107 H 5.3704 8.4874 122.7431 54.4443 33.8094 171.4920 108 C 5.2992 8.7709 112.6580 57.3659 33.6480 172.6828 109 M 5.1653 8.7456 118.8802 53.9611 34.3169 175.3047 110 V 4.9170 9.0342 122.3888 61.0080 35.5200 174.1259 111 K 4.8741 9.6355 131.1163 55.8520 35.4425 176.4430 112 N 4.2342 10.1548 124.0239 53.2640 34.9650 172.0346 113 G 4.0244 8.7738 109.6793 46.4800 0.0000 174.9012 *114 K 4.5408 8.2334 121.9633 52.3714 33.8387 180.8755 115 I 4.6029 8.4311 125.8540 60.8928 38.3079 176.0959 116 V 4.5834 8.0191 129.0121 59.9892 34.5800 172.8296 117 S 4.4581 8.5013 118.1260 59.2861 63.0958 174.4809 118 I 3.6922 8.3853 124.8178 60.7234 37.4049 174.6257 119 P 4.3777 0.0000 0.0000 62.9632 32.2918 178.3462 120 K 4.0327 8.9338 128.2088 60.8457 31.4124 180.7283 121 E 4.2752 8.2263 118.0766 60.7647 29.8248 180.8757 122 V 4.0394 7.7719 120.0267 66.6666 32.0160 178.6215 123 L 4.0319 8.3052 124.7538 60.1351 40.3402 181.5927 124 E 4.2640 8.0871 116.7964 61.0795 29.7656 182.8091 125 V 4.1403 7.5258 110.8279 62.8499 31.9746 178.2352 126 L 4.4748 7.8605 120.7482 58.0047 41.7864 177.4342 *127 K 4.1963 7.8007 123.2100 54.7434 31.7249 178.3603 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 F 8.18 4.83 0.00 3.40 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 4 I 7.35 4.24 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.62 0.76 0.00 0.00 5 Y 9.41 4.63 0.00 3.25 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 6 R 7.97 4.41 0.00 1.42 1.53 0.00 3.13 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 7 R 7.76 4.19 0.00 0.67 0.66 0.00 3.02 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.55 0.00 8 R 7.98 4.97 0.00 1.66 1.69 0.00 3.19 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 9 V 8.80 4.06 2.34 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 1.01 0.00 0.00 0.79 0.00 0.00 10 Q 9.07 4.77 0.00 1.55 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 11 F 9.21 3.83 0.00 2.58 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 12 Y 8.02 4.31 0.00 3.16 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 13 E 7.54 3.98 0.00 2.08 1.85 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 2.06 1.47 0.00 14 T 7.22 4.64 4.17 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 0.00 0.00 0.00 1.15 0.00 0.00 15 D 8.22 4.93 0.00 2.87 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 16 A 8.50 3.93 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 17 Q 8.76 4.03 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 18 G 8.44 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 19 I 7.19 5.04 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 1.11 0.00 0.00 20 V 8.27 4.16 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 0.50 0.00 0.00 0.81 0.00 0.00 21 H 8.94 4.25 0.00 3.20 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.84 4.07 0.00 2.60 2.77 0.00 5.71 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 23 S 7.75 4.49 0.00 4.17 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 0.00 24 N 8.43 4.32 0.00 2.56 2.24 0.00 0.00 6.85 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.57 3.13 0.00 2.50 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 0.00 0.00 0.00 26 F 7.30 4.13 0.00 3.32 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 27 R 7.53 4.00 0.00 1.81 1.94 0.00 3.29 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 28 Y 7.46 4.48 0.00 2.71 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 29 F 7.88 4.45 0.00 2.92 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 0.00 0.00 0.00 30 E 8.10 3.99 0.00 2.24 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 2.33 2.37 0.00 31 E 8.32 3.84 0.00 2.10 1.77 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 2.41 2.71 0.00 32 A 7.81 3.51 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 0.00 0.00 0.00 0.00 0.00 33 R 8.22 3.74 0.00 1.97 1.86 0.00 3.09 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.96 0.00 34 G 8.15 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 35 E 8.15 4.08 0.00 2.20 2.33 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 2.42 2.75 0.00 36 F 7.71 2.67 0.00 2.26 2.95 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 37 L 7.90 3.75 0.00 1.70 1.86 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.98 3.90 0.00 2.03 2.05 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 S 7.92 4.15 0.00 4.10 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 40 K 7.48 4.20 0.00 1.72 1.76 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.89 1.35 7.81 41 G 8.58 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 42 F 7.40 5.07 0.00 2.83 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 43 P 0.00 4.50 0.00 2.26 2.00 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 44 Y 8.62 4.26 0.00 2.98 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 45 S 8.13 3.88 0.00 4.05 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 46 K 7.94 4.03 0.00 1.98 2.36 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.63 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.79 1.60 7.81 47 M 7.84 4.12 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.46 0.00 48 R 7.63 4.61 0.00 1.74 1.80 0.00 2.41 0.00 0.00 2.92 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.62 0.00 49 D 7.83 4.45 0.00 2.91 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 50 M 7.79 4.65 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.97 0.00 51 G 7.84 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 52 L 7.89 4.70 0.00 1.77 1.63 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.90 5.01 0.00 2.14 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 2.27 2.41 0.00 54 V 8.85 4.76 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 0.84 0.00 0.00 1.07 0.00 0.00 55 V 8.78 4.45 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 0.88 0.00 0.00 0.98 0.00 0.00 56 L 8.46 4.57 0.00 1.66 1.52 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.80 4.48 0.00 1.55 1.64 0.86 0.87 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 58 N 7.62 4.85 0.00 2.78 2.83 0.00 0.00 5.86 7.00 0.00 0.00 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 A 8.40 5.29 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 9.20 5.04 0.00 3.10 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 61 C 7.59 4.73 0.00 2.61 2.32 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 62 E 9.02 4.51 0.00 1.96 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 2.23 2.12 0.00 63 Y 8.61 4.51 0.00 2.62 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 64 K 8.86 4.35 0.00 1.71 1.82 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.38 7.81 65 K 8.06 4.79 0.00 1.54 1.60 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.48 7.81 66 P 0.00 4.59 0.00 1.85 2.01 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.03 0.00 67 L 8.13 4.40 0.00 1.37 1.25 -0.16 0.55 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 68 F 9.26 5.30 0.00 3.12 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 69 Y 8.54 4.34 0.00 2.93 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 70 D 8.37 4.11 0.00 1.73 2.46 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 0.00 0.00 0.00 0.00 71 D 7.79 4.59 0.00 2.80 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 72 V 8.40 4.46 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 0.70 0.00 0.00 0.88 0.00 0.00 73 F 9.28 5.21 0.00 3.14 2.95 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 74 E 9.57 4.98 0.00 2.02 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 2.10 2.13 0.00 75 V 8.77 4.98 2.46 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 1.45 0.00 0.00 1.25 0.00 0.00 76 H 9.43 5.37 0.00 3.33 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.86 4.95 0.00 1.67 1.62 0.32 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.02 4.63 0.00 2.78 2.55 0.00 0.00 7.14 6.79 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 79 L 8.68 4.07 0.00 1.63 1.55 0.60 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.65 4.31 0.00 1.91 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 2.24 2.26 0.00 81 E 7.78 4.94 0.00 1.63 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 2.20 1.88 0.00 82 L 8.39 5.15 0.00 1.45 1.53 0.90 0.72 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 83 S 9.25 4.77 0.00 3.51 3.60 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 84 R 8.68 4.17 0.00 1.73 1.97 0.00 3.16 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *85 F 8.09 4.85 0.00 2.15 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 86 T 7.59 5.24 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 1.21 0.00 0.00 87 F 8.47 5.32 0.00 2.85 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 88 T 8.84 4.96 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 1.22 0.00 0.00 89 F 9.27 5.30 0.00 2.84 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 0.00 0.00 0.00 90 S 8.82 5.13 0.00 3.80 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 91 Y 9.14 5.23 0.00 2.21 2.64 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 92 I 8.76 4.73 1.72 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 1.01 0.70 -0.13 0.00 0.00 93 V 8.78 4.64 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 1.05 0.00 0.00 1.25 0.00 0.00 94 F 9.42 5.47 0.00 2.94 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 95 K 8.89 4.67 0.00 1.81 1.66 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 96 E 9.58 3.47 0.00 2.14 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 2.21 2.39 0.00 97 D 8.51 4.37 0.00 2.86 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 98 I 7.54 4.47 2.08 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 1.29 0.94 0.95 0.00 0.00 99 A 8.86 4.00 1.09 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 0.00 100 V 9.09 4.17 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 0.69 0.00 0.00 0.93 0.00 0.00 101 A 7.22 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.26 4.93 0.00 1.68 1.54 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.23 1.48 7.81 103 A 8.72 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.99 5.67 0.00 2.90 2.94 0.00 0.00 6.92 6.55 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 0.00 105 T 9.33 5.26 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 106 K 8.84 4.89 0.00 1.83 1.56 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 1.27 7.81 107 H 8.49 5.37 0.00 1.76 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.77 5.30 0.00 3.13 2.97 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 0.00 109 M 8.75 5.17 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 110 V 9.03 4.92 2.14 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 1.01 0.00 0.00 0.97 0.00 0.00 111 K 9.64 4.87 0.00 1.72 1.61 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.67 7.81 112 N 10.15 4.23 0.00 2.91 2.72 0.00 0.00 7.02 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.77 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 *114 K 8.23 4.54 0.00 1.63 1.66 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.21 7.81 115 I 8.43 4.60 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 1.30 1.48 0.93 0.00 0.00 116 V 8.02 4.58 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 0.74 0.00 0.00 0.93 0.00 0.00 117 S 8.50 4.46 0.00 3.39 3.68 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 0.00 118 I 8.39 3.69 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.76 0.00 0.00 119 P 0.00 4.38 0.00 2.22 2.01 0.00 3.60 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 2.15 2.12 0.00 120 K 8.93 4.03 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 121 E 8.23 4.28 0.00 2.06 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 2.23 1.94 0.00 122 V 7.77 4.04 2.15 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 0.67 0.00 0.00 0.86 0.00 0.00 123 L 8.31 4.03 0.00 1.67 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.09 4.26 0.00 2.08 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 2.26 2.22 0.00 125 V 7.53 4.14 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 1.03 0.00 0.00 1.01 0.00 0.00 126 L 7.86 4.47 0.00 1.67 1.67 0.85 0.04 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 *127 K 7.80 4.20 0.00 1.81 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.