NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2448 8.2745 117.3738 63.4149 69.8960 173.5261 5 E 4.5609 8.4320 122.0212 52.9197 32.0232 170.2071 6 E 4.2091 8.9327 123.5156 56.5309 32.4892 178.2932 7 R 4.0097 8.6675 126.8614 61.9053 29.3659 179.0060 8 L 4.1330 8.3242 121.2554 57.8785 42.0723 178.2311 9 H 4.1216 8.4620 117.8730 59.5599 29.6770 176.3482 10 Y 3.9613 8.1999 121.0045 60.8625 38.8287 177.9274 11 Q 3.7112 8.2961 119.1179 58.8645 28.7770 179.0729 12 V 3.2942 8.0086 119.7216 65.6457 31.4490 178.0806 13 G 3.5737 7.7917 105.4974 48.0073 0.0000 175.5508 14 Q 3.7851 7.7785 120.7390 58.5882 28.7045 179.1622 15 R 3.9275 7.7227 116.3844 58.7565 29.5936 178.7039 16 A 4.0811 8.0203 121.8658 54.9113 18.1722 179.3631 17 L 3.8083 7.9351 117.9853 58.4265 42.3120 178.8561 18 I 3.8211 7.5459 118.3268 64.4376 37.2083 178.1236 19 Q 4.1838 8.1392 118.6244 58.7783 28.5481 179.6707 20 A 4.2144 7.7767 119.0912 52.6262 18.3146 179.3197 *22 Q 4.1881 8.0113 120.3897 57.7096 30.7770 177.9851 23 I 3.7247 7.9898 117.4675 64.3465 37.1577 178.0773 24 S 4.0130 8.0095 113.4300 60.2936 62.8483 173.9883 25 A 4.2653 7.3912 123.7217 50.3791 18.1823 174.6008 *27 P 4.4868 0.0000 0.0000 63.4660 33.8269 179.4411 28 E 3.9530 8.1618 117.2640 59.3890 29.3501 179.0633 29 L 3.9332 7.7869 119.8059 57.8843 42.2868 178.5994 30 V 3.5681 7.8178 117.8510 66.2349 31.3757 177.5198 31 E 4.0757 8.2767 118.5030 59.2657 29.4584 178.5820 32 A 4.0147 8.0517 120.9161 55.0141 18.3792 179.8694 33 V 3.5123 7.9764 116.8238 66.2397 31.4352 178.0606 34 Q 4.0197 7.8991 116.5420 59.0331 28.7431 178.7097 35 K 4.2053 8.0442 115.7654 55.7636 32.9022 176.8065 36 R 3.6414 7.7356 117.7692 56.9353 28.3920 177.8650 37 D 4.6449 8.0228 117.7924 52.9486 41.0532 175.0886 38 L 4.0324 8.2479 127.1618 57.4612 41.8255 178.8693 39 A 4.0074 8.0351 120.3142 55.1666 18.4220 179.5508 40 R 3.8247 8.3720 117.2252 59.4451 30.0835 178.6045 41 I 3.6253 7.8593 119.7207 64.3223 37.1135 178.1858 42 K 3.9904 8.3307 120.0850 59.6617 31.8703 178.6174 43 A 3.9850 7.9948 119.6280 54.8546 18.2285 179.1779 44 L 4.1411 7.3151 116.1834 57.6497 42.1421 179.0609 45 I 3.6929 7.5030 118.6962 63.7791 37.2720 177.5722 46 D 4.6182 7.9832 120.0067 56.8424 40.9066 179.9583 47 P 4.0976 0.0000 0.0000 61.3932 31.0020 178.8271 *49 R 4.2241 8.1888 119.0216 56.2409 32.1375 178.4237 50 S 4.0416 7.6404 112.2064 60.7145 62.9872 175.4516 51 F 5.1623 7.4052 117.4463 57.0927 38.7807 175.1591 52 S 4.7890 7.7883 114.6492 56.5387 65.1423 173.3895 53 D 4.6424 8.6870 122.9221 53.0638 39.7837 176.5770 54 A 2.5800 7.6335 123.4832 52.6360 18.8301 178.1736 55 T 4.1508 7.6439 118.5866 66.3891 69.1785 174.5945 56 Y 4.9474 6.8308 116.9380 55.6052 41.9036 174.0158 57 I 5.2204 8.4395 120.1211 60.0661 40.7264 174.8245 58 T 4.9985 9.2256 123.7832 61.7979 71.4703 173.4278 59 V 4.8392 8.7272 125.2143 61.1063 34.2308 174.6153 60 G 4.5949 8.9125 114.6490 44.3459 0.0000 173.0768 61 D 5.0515 8.8458 121.1147 51.9879 41.2660 176.8580 62 A 4.0083 8.5944 121.0886 54.8257 18.2969 178.4364 63 S 4.5071 8.3233 108.1499 57.8216 63.6009 174.8825 64 G 3.8790 8.3026 109.0610 46.0326 0.0000 173.4919 65 Q 4.1452 8.1796 121.3989 55.2813 29.8049 175.2679 66 R 4.5470 8.7548 124.7794 56.5204 30.5087 177.2267 67 L 4.3917 9.0634 124.2124 56.1495 43.3271 176.4424 68 Y 4.7828 7.7567 118.8791 56.7635 42.1573 173.1632 69 H 4.9278 7.7001 123.9602 54.4422 33.0900 173.6072 70 V 3.4540 7.9551 117.1235 63.5173 31.6877 176.0630 71 N 4.7787 8.0599 117.7774 50.5060 39.2644 173.6178 72 P 4.1422 0.0000 0.0000 65.6570 31.3995 178.2214 73 D 4.4117 8.0523 117.4713 56.5781 40.8320 176.7850 74 E 4.2313 8.2130 118.0351 56.5985 30.0898 176.2457 75 I 3.7814 7.2958 121.2499 62.4366 37.4585 176.5578 76 G 3.9363 9.1189 114.1843 45.0246 0.0000 173.3212 77 K 4.6487 7.3582 119.0655 54.4884 35.2018 177.9342 78 S 4.7545 7.9000 121.5886 58.2482 61.8864 175.4663 *80 E 4.0618 8.6654 127.8337 57.2994 30.1938 174.1112 81 G 3.3636 10.2570 115.3497 44.3397 0.0000 174.7789 82 G 3.9686 8.2461 107.4625 45.9404 0.0000 173.0696 83 D 5.0383 8.0393 117.2237 52.9419 39.9292 177.2848 84 S 4.7953 8.1017 116.0472 60.2457 63.9542 175.2323 85 D 4.4634 8.1090 121.9172 57.4695 40.5824 178.3083 86 E 4.0013 8.1830 118.3984 58.9595 29.2734 179.1556 87 A 4.4706 8.1501 121.8088 54.7665 18.6092 179.5489 88 L 3.9809 8.2809 116.4612 57.2517 41.6999 178.9521 89 I 4.2367 8.0109 118.3169 63.0591 38.3185 177.1309 90 N 4.6702 8.0734 112.6283 52.0820 38.9276 174.8517 91 A 3.9191 7.5187 122.1040 53.0504 16.9695 177.6874 92 K 4.5709 8.0267 117.8394 57.6074 33.9691 176.2433 93 S 5.0557 8.2800 118.1465 57.2287 65.4884 172.8999 94 Y 4.7076 7.7632 119.7485 56.5991 41.4985 172.8633 95 V 4.7748 8.5281 120.0008 61.8267 33.3540 174.7042 96 S 4.8758 9.1355 120.2549 56.8763 66.6022 172.5294 97 V 5.0120 8.2831 123.2343 61.3757 33.8292 174.6368 98 R 4.6555 8.7317 124.7580 55.1651 35.5629 173.9085 99 K 4.5687 8.6792 122.5170 55.8472 32.9566 176.0777 100 G 4.1348 8.2082 119.6298 44.1251 0.0000 173.3213 101 S 4.1124 8.4776 112.7787 60.9176 63.0433 174.8699 102 L 4.1754 7.6291 118.5498 54.4505 41.9055 175.7388 103 G 3.8277 7.8361 105.0951 43.7572 0.0000 172.9068 104 S 4.7706 8.4875 114.3070 59.0867 63.9767 174.1774 105 S 5.1366 9.2135 117.3973 57.1487 67.0816 172.4449 106 L 5.1864 8.8566 123.8784 53.7407 43.4670 175.4037 107 R 5.1178 9.3581 122.9550 54.4427 33.2906 174.1834 108 G 4.3201 8.9668 108.9337 44.7803 0.0000 172.7051 109 K 5.1702 8.4374 122.7817 54.6691 36.3983 175.2093 110 S 4.8590 8.5594 116.4048 56.2676 66.1335 171.9366 111 P 4.9027 0.0000 0.0000 62.9710 32.4940 175.2007 112 I 4.4851 8.4924 122.2583 60.0674 38.9761 174.9414 113 Q 5.1805 8.5251 124.8651 54.0882 32.7806 175.2447 114 D 4.6557 8.7304 121.8096 52.1437 41.2265 176.9399 115 A 4.0665 8.4103 121.1276 54.9261 18.3303 178.5660 116 T 4.0889 8.1464 104.8786 62.3863 69.2771 175.9524 117 G 3.9500 8.1108 111.2815 44.8626 0.0000 173.9666 118 K 3.9170 7.7433 122.2577 56.2668 32.6348 175.9479 119 V 4.1699 8.3907 126.5557 62.9002 31.8350 175.3962 120 I 4.4306 8.6138 119.8386 59.8368 38.7987 175.9364 121 G 3.9841 7.2658 107.5736 46.7193 0.0000 171.0839 122 I 4.8875 7.5701 118.3917 59.8386 42.1468 174.9635 123 V 4.8520 8.8535 128.8409 61.1390 34.2683 174.1099 124 S 5.1610 9.0649 121.7414 56.4995 65.4925 172.4635 125 V 4.5666 8.8972 127.5398 61.1262 33.6586 174.5314 126 G 4.1072 7.9010 114.0068 44.4502 0.0000 170.6550 127 Y 4.8299 8.7493 117.1846 55.7470 41.6613 175.7355 128 T 4.5399 8.9038 116.0244 61.4299 69.8612 175.5844 129 I 3.7174 8.7516 128.1842 65.2733 37.4581 178.8121 130 E 4.0114 8.3963 114.9111 59.0849 29.3989 179.8618 131 Q 4.3695 7.7432 115.0998 56.5588 29.3423 176.0174 132 L 4.2134 7.6966 123.3952 54.9869 41.5842 176.6772 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 4 T 8.27 4.24 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 1.17 0.00 0.00 5 E 8.43 4.56 0.00 2.05 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 2.15 1.93 0.00 6 E 8.93 4.21 0.00 2.02 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 2.40 2.34 0.00 7 R 8.67 4.01 0.00 1.85 1.95 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 8 L 8.32 4.13 0.00 1.77 1.82 0.89 0.83 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 9 H 8.46 4.12 0.00 3.24 3.56 0.00 5.75 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 10 Y 8.20 3.96 0.00 3.08 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 11 Q 8.30 3.71 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 12 V 8.01 3.29 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 0.12 0.00 0.00 0.74 0.00 0.00 13 G 7.79 3.57 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 14 Q 7.78 3.79 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 1.26 1.87 0.00 15 R 7.72 3.93 0.00 2.05 2.10 0.00 2.80 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 16 A 8.02 4.08 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.94 3.81 0.00 1.62 1.81 0.87 0.96 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 18 I 7.55 3.82 1.84 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 1.49 0.69 0.89 0.00 0.00 19 Q 8.14 4.18 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 20 A 7.78 4.21 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 *22 Q 8.01 4.19 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 23 I 7.99 3.72 1.90 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 1.33 0.57 0.86 0.00 0.00 24 S 8.01 4.01 0.00 4.09 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 25 A 7.39 4.27 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 *27 P 0.00 4.49 0.00 2.21 2.14 0.00 3.60 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 2.00 2.11 0.00 28 E 8.16 3.95 0.00 2.03 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 2.43 0.00 29 L 7.79 3.93 0.00 1.71 1.63 0.87 0.85 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 30 V 7.82 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.93 0.00 0.00 31 E 8.28 4.08 0.00 2.09 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 2.30 2.32 0.00 32 A 8.05 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.98 3.51 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 1.05 0.00 0.00 0.95 0.00 0.00 34 Q 7.90 4.02 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 35 K 8.04 4.21 0.00 1.74 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.61 7.81 36 R 7.74 3.64 0.00 1.92 1.97 0.00 3.16 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 37 D 8.02 4.64 0.00 2.71 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 38 L 8.25 4.03 0.00 1.75 1.74 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.04 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.37 3.82 0.00 2.09 2.08 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 41 I 7.86 3.63 2.05 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 1.39 0.69 0.87 0.00 0.00 42 K 8.33 3.99 0.00 2.01 2.06 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.72 7.81 43 A 7.99 3.99 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 44 L 7.32 4.14 0.00 1.67 1.65 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.50 3.69 0.56 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.16 0.40 0.00 0.00 46 D 7.98 4.62 0.00 2.72 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 47 P 0.00 4.10 0.00 2.03 1.85 0.00 3.77 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 2.09 2.00 0.00 *49 R 8.19 4.22 0.00 2.01 1.96 0.00 3.37 0.00 0.00 3.57 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 50 S 7.64 4.04 0.00 3.85 3.87 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 51 F 7.41 5.16 0.00 3.07 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 52 S 7.79 4.79 0.00 3.87 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 53 D 8.69 4.64 0.00 2.92 2.82 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 54 A 7.63 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.64 4.15 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 1.28 0.00 0.00 56 Y 6.83 4.95 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.44 5.22 1.91 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 1.27 0.61 0.89 0.00 0.00 58 T 9.23 5.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 59 V 8.73 4.84 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 0.99 0.00 0.00 0.88 0.00 0.00 60 G 8.91 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 5.05 0.00 2.90 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 62 A 8.59 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.32 4.51 0.00 3.98 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 64 G 8.30 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 0.00 0.00 0.00 65 Q 8.18 4.15 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 66 R 8.75 4.55 0.00 1.91 1.86 0.00 3.26 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 67 L 9.06 4.39 0.00 1.65 1.77 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.76 4.78 0.00 3.08 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 69 H 7.70 4.93 0.00 2.99 3.08 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.96 3.45 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 0.79 0.00 0.00 0.84 0.00 0.00 71 N 8.06 4.78 0.00 2.75 2.70 0.00 0.00 6.91 8.03 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 72 P 0.00 4.14 0.00 2.16 2.24 0.00 3.65 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 2.02 1.94 0.00 73 D 8.05 4.41 0.00 2.63 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 74 E 8.21 4.23 0.00 1.75 1.67 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 2.12 2.04 0.00 75 I 7.30 3.78 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.37 0.95 0.00 0.00 76 G 9.12 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 77 K 7.36 4.65 0.00 1.83 1.68 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.34 7.81 78 S 7.90 4.75 0.00 3.85 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *80 E 8.67 4.06 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 2.19 2.45 0.00 81 G 10.26 3.36 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 0.00 82 G 8.25 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 0.00 0.00 0.00 83 D 8.04 5.04 0.00 2.88 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 84 S 8.10 4.80 0.00 3.93 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 85 D 8.11 4.46 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.18 4.00 0.00 1.45 1.80 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 2.23 2.00 0.00 87 A 8.15 4.47 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.98 0.00 1.64 1.78 0.98 0.85 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 89 I 8.01 4.24 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 1.64 0.83 0.92 0.00 0.00 90 N 8.07 4.67 0.00 2.96 2.86 0.00 0.00 6.84 7.35 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 91 A 7.52 3.92 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 92 K 8.03 4.57 0.00 1.94 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.58 7.81 93 S 8.28 5.06 0.00 3.73 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.76 4.71 0.00 3.11 3.05 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 95 V 8.53 4.77 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 0.85 0.00 0.00 0.94 0.00 0.00 96 S 9.14 4.88 0.00 4.20 3.83 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 97 V 8.28 5.01 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 0.97 0.00 0.00 1.01 0.00 0.00 98 R 8.73 4.66 0.00 1.83 1.80 0.00 3.42 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 99 K 8.68 4.57 0.00 2.04 1.75 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.01 7.81 100 G 8.21 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 0.00 0.00 0.00 0.00 101 S 8.48 4.11 0.00 3.92 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 0.00 102 L 7.63 4.18 0.00 1.61 1.76 0.78 1.02 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 0.00 103 G 7.84 3.83 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 0.00 0.00 0.00 104 S 8.49 4.77 0.00 3.83 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 0.00 105 S 9.21 5.14 0.00 4.15 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 0.00 106 L 8.86 5.19 0.00 1.87 1.66 0.98 0.75 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 0.00 107 R 9.36 5.12 0.00 1.99 2.09 0.00 3.16 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 108 G 8.97 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 0.00 0.00 0.00 0.00 109 K 8.44 5.17 0.00 0.83 1.41 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.28 1.19 7.81 110 S 8.56 4.86 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.90 0.00 2.13 2.27 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 112 I 8.49 4.49 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 1.22 0.75 0.91 0.00 0.00 113 Q 8.53 5.18 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 114 D 8.73 4.66 0.00 2.90 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 0.00 115 A 8.41 4.07 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 0.00 116 T 8.15 4.09 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 0.00 117 G 8.11 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 0.00 118 K 7.74 3.92 0.00 1.76 2.04 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.39 7.81 119 V 8.39 4.17 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 0.99 0.00 0.00 0.95 0.00 0.00 120 I 8.61 4.43 1.88 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 1.38 0.85 0.92 0.00 0.00 121 G 7.27 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 0.00 122 I 7.57 4.89 1.90 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 1.12 1.31 0.94 0.00 0.00 123 V 8.85 4.85 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 0.86 0.00 0.00 0.91 0.00 0.00 124 S 9.06 5.16 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 0.00 125 V 8.90 4.57 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 0.87 0.00 0.00 0.92 0.00 0.00 126 G 7.90 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 0.00 127 Y 8.75 4.83 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.90 4.54 4.31 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 1.35 0.00 0.00 129 I 8.75 3.72 1.91 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 1.28 0.82 0.94 0.00 0.00 130 E 8.40 4.01 0.00 1.98 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 2.24 1.93 0.00 131 Q 7.74 4.37 0.00 2.56 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.20 0.00 132 L 7.70 4.21 0.00 1.75 1.60 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.