NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4553 8.3044 118.8273 54.8770 33.0742 176.0327 2 D 4.6080 8.0076 109.8451 54.7652 39.4183 175.9382 3 F 5.0056 8.8553 120.6788 57.2351 41.1494 175.3421 4 R 4.9419 9.1873 119.7361 54.5796 34.6232 174.1685 5 I 5.0228 8.4534 114.7750 59.2924 40.9537 174.4379 6 G 4.3805 9.0126 110.1967 44.7152 0.0000 171.2618 7 Q 5.1842 8.6051 117.4010 54.3968 31.8440 174.3723 8 G 4.4142 9.3655 107.9092 44.9064 0.0000 170.6768 9 Y 5.4290 8.5327 121.5252 55.9722 42.1321 173.6106 10 D 4.6382 8.3697 123.9708 53.0555 45.3395 174.0916 11 V 4.6909 7.7273 121.3397 60.6941 34.6759 173.6636 12 H 4.9852 8.8609 118.4717 54.0908 33.6357 172.9317 13 Q 4.6833 8.6978 120.0038 56.0380 30.1561 174.9775 14 L 5.0864 8.4537 123.3292 54.0284 42.6953 176.6895 15 V 4.6264 9.1347 116.7431 58.6018 34.9229 173.6283 16 P 4.3246 0.0000 0.0000 63.3969 32.5727 176.9592 17 G 4.0488 8.7767 109.2688 46.3114 0.0000 173.5055 18 R 4.6778 7.2340 117.5606 53.0625 33.3736 173.4344 19 P 4.4919 0.0000 0.0000 62.5009 32.5106 175.8100 20 L 4.3991 8.5413 125.4782 54.3497 43.4520 175.1801 21 I 4.9923 8.3002 127.5555 59.6002 40.2954 175.0379 22 I 4.5428 8.3143 127.7086 60.4987 40.1159 175.9005 23 G 3.9932 9.9628 112.9111 46.6242 0.0000 175.1283 24 G 3.8938 9.0929 106.8800 45.0359 0.0000 174.3336 25 V 4.0754 7.5333 120.7620 61.4423 32.4867 174.6961 26 T 4.6786 8.4402 124.4393 63.4178 68.9818 173.9023 27 I 4.4316 8.3993 128.7861 58.3445 39.0944 174.0869 28 P 4.4213 0.0000 0.0000 63.3401 30.2941 175.2048 29 Y 4.7253 8.3285 124.1093 57.3983 41.3472 175.1638 30 E 4.0195 7.8513 120.9652 57.9176 30.0876 177.0954 31 R 4.9380 6.6390 112.3272 54.9708 34.5893 174.2916 32 G 4.5196 8.8423 106.5351 44.0954 0.0000 171.3807 33 L 5.0282 8.4357 119.3618 53.8324 42.8403 176.3854 34 L 4.1422 8.3926 125.3280 53.3096 42.9363 175.7983 35 G 4.0465 8.8350 124.3938 46.9296 0.0000 172.7148 *38 D 4.3679 7.9160 120.3441 50.7673 41.5697 175.3371 39 A 3.4240 7.9001 120.7779 53.2148 16.1258 178.7525 40 D 4.6968 7.7958 122.1197 53.9487 40.8320 175.3906 41 V 3.9846 8.0214 128.9671 63.9312 31.4475 177.9302 42 L 3.9015 7.8107 120.3450 57.9772 42.0785 178.8501 43 L 4.0456 7.9751 118.4450 57.9669 41.4882 179.2088 44 H 4.3036 8.5388 116.2947 58.8435 28.5937 177.7108 45 A 4.0355 8.1800 122.5249 55.2406 18.2457 179.7617 46 I 3.6390 7.8549 118.3233 64.6992 37.1234 178.6272 47 T 3.7114 8.2996 116.9908 66.8911 68.2610 176.2642 48 D 4.5237 8.3603 120.3330 57.3515 40.8022 178.6521 49 A 4.1422 8.2513 121.3817 55.2126 18.3524 179.7765 50 L 3.8254 7.9439 117.3133 58.0204 41.6953 179.7148 51 F 4.5234 8.1218 117.9210 60.4490 38.7761 178.0345 52 G 3.5840 8.5891 105.5333 47.8496 0.0000 175.6643 53 A 4.1590 8.1897 123.5367 53.8047 18.4607 178.6487 54 A 3.0829 7.6581 115.9876 50.6905 19.5616 176.8521 55 A 3.7036 7.4915 119.8004 53.7124 16.6242 177.8226 56 L 4.6494 8.6588 117.0411 55.0414 43.5036 177.4648 57 G 3.9725 9.1476 107.6746 44.1579 0.0000 175.3675 58 D 4.8059 8.0841 125.5096 50.3594 42.4917 175.5483 59 I 3.8166 9.2718 119.2694 64.5025 37.5065 177.9880 60 G 3.6625 8.1012 104.9644 47.3791 0.0000 175.0578 61 R 4.0662 7.9937 116.5261 57.9795 29.8736 177.5517 62 H 4.2020 7.1080 115.4696 58.1079 29.8461 174.2229 63 F 5.3536 7.8560 119.3690 55.7622 41.6480 173.7389 *74 D 4.4234 8.2754 121.3890 54.2417 41.6504 176.0872 75 S 4.2289 8.7651 114.6354 61.3199 62.5157 177.2699 76 R 3.9266 8.0529 120.6844 58.9330 29.8675 178.4710 77 A 3.9302 8.5798 120.9809 55.1861 18.3106 179.7319 78 L 3.3838 7.7197 117.3218 57.5313 41.5878 179.5141 79 L 3.9512 7.9803 120.4895 58.0036 42.0022 179.2019 80 R 3.9034 8.1952 118.3309 59.2086 29.9600 178.5620 81 E 4.0017 8.3724 119.2430 59.3519 29.5430 178.2271 82 C 3.9841 8.4757 118.5711 62.6307 31.5915 175.4439 83 A 3.9188 8.0239 122.1359 55.0688 17.8130 179.4120 84 S 4.0692 8.1723 111.5817 61.8624 62.5099 176.7633 85 R 4.0138 8.4792 121.0302 59.1277 29.8103 179.2370 86 V 3.6826 8.2325 118.2382 66.1283 31.4969 178.0531 87 A 4.4600 8.1524 121.8169 54.6795 17.9720 179.3591 88 Q 3.9109 8.2426 117.4418 59.0296 29.2172 177.6301 89 A 4.3577 7.9723 119.5577 52.6224 18.5697 178.0128 90 G 3.7026 8.3961 106.7227 44.7484 0.0000 172.8271 91 F 5.0704 8.1261 117.9781 55.7142 41.5032 174.6139 92 A 4.8715 9.0536 124.0423 50.2993 21.5722 175.9808 93 I 4.2287 8.3524 122.3378 61.4140 37.5632 175.8338 94 R 4.5868 9.1155 126.5133 57.8856 31.5580 176.2470 95 N 4.9955 7.6323 113.1734 52.1011 40.5711 173.5350 96 V 4.9400 8.8468 119.6350 61.2838 35.1953 173.7545 97 D 5.4113 9.3006 125.8687 51.7885 45.0934 174.0650 98 S 5.1107 8.1595 115.3066 58.0350 66.4733 173.3227 99 T 4.9123 8.9251 116.9784 62.0635 72.7015 172.9551 100 I 4.6767 8.9218 127.1042 59.8092 39.7607 174.7215 101 I 4.8416 8.9965 127.9773 59.7246 39.0476 174.7163 102 A 4.7469 8.8546 129.4613 50.3516 21.9286 176.6887 103 Q 3.8365 9.0134 124.1995 58.8376 29.5231 175.9349 104 A 4.5137 7.2657 117.1776 50.0972 21.9939 173.9234 105 P 4.4263 0.0000 0.0000 61.2204 33.0847 175.4487 106 K 3.9879 8.4300 119.6888 56.9779 32.1948 176.4854 107 L 4.4457 8.4566 125.4555 55.3551 42.7632 178.3960 108 A 3.9548 8.2705 122.0620 55.0044 18.0687 177.4800 109 P 4.4184 0.0000 0.0000 64.2535 31.7533 177.1220 110 H 4.8418 8.1909 115.3569 55.8057 29.8718 176.5020 111 I 3.7160 7.3976 121.9998 64.5148 36.9358 177.9278 112 D 4.3546 8.1084 119.0175 57.2729 40.5632 178.5701 113 A 3.9985 7.9546 120.8888 55.2680 18.3422 179.3814 114 M 4.2456 7.9135 118.4678 58.0659 31.9774 179.1111 115 R 3.8836 8.1373 117.8990 59.1886 30.1943 178.9081 116 A 3.9748 8.1277 120.4529 55.2268 18.4006 179.2200 117 N 4.2306 8.3583 115.1629 56.6666 38.5929 177.6143 118 I 3.6580 8.0366 120.9401 64.2866 37.2338 178.1715 119 A 3.9583 8.3080 121.6621 55.2423 18.1460 179.4799 120 A 3.9298 8.1559 119.1743 55.6130 18.2665 179.6869 121 D 4.3466 8.0538 116.0439 56.9322 40.9841 178.0535 122 L 4.3002 8.0933 116.8821 53.4721 42.7626 175.7538 123 D 4.3582 7.6093 117.5006 55.6350 40.0579 172.8811 124 L 4.8555 8.1135 117.1806 51.9366 45.1103 175.5575 125 P 4.5371 0.0000 0.0000 62.2320 32.5510 177.2963 126 L 3.9672 8.5860 119.8012 58.1621 41.6083 178.8060 127 D 4.6208 8.0622 114.2263 54.3550 39.4993 176.3695 128 R 4.6207 8.1216 118.2990 56.0298 31.7996 175.1675 129 V 4.8106 7.8264 119.3009 61.0585 33.8509 174.3207 130 N 5.1331 9.2401 125.8214 51.7704 42.5802 172.9588 131 V 4.7353 8.2870 123.5605 59.9499 34.5833 174.4796 132 K 4.8864 8.9815 125.6297 54.5726 36.1939 174.8252 133 A 5.2471 8.3756 121.9737 50.4819 22.3349 175.6575 134 K 4.7337 9.0082 119.2163 55.0023 37.1371 176.6161 135 T 4.9333 8.3571 113.4621 60.0896 71.1502 173.7868 136 N 4.7707 8.6800 116.5380 52.7795 39.0732 174.0110 137 E 3.7351 8.7182 113.4874 57.1096 27.6034 175.2405 138 K 4.0720 8.2240 112.6517 57.2234 30.6545 175.5965 139 L 4.4904 7.7759 119.1674 53.9239 43.5845 178.4653 140 G 4.2060 8.4674 111.8830 45.0959 0.0000 173.2822 141 Y 4.3159 8.0294 115.8233 60.0559 37.8483 178.0696 142 L 4.0748 7.0684 120.4839 57.6833 41.5856 179.5110 143 G 3.6638 7.8846 104.2704 47.5477 0.0000 174.9947 144 R 4.3864 7.9118 117.4382 55.3527 30.4520 176.5859 145 G 3.9729 7.9251 106.8263 46.8529 0.0000 175.0482 146 E 4.2590 8.6819 121.3824 57.7962 30.0424 176.2760 147 G 4.6855 7.5794 103.5714 45.6432 0.0000 172.2809 148 I 4.9522 8.6668 119.4893 59.4251 41.2186 174.7550 149 E 5.0440 8.9549 126.7003 54.4585 32.4781 174.3611 150 A 5.2503 8.7195 125.7002 50.2664 22.9457 174.9830 151 Q 5.1879 9.1184 118.6598 54.1836 32.7610 174.6191 152 A 5.2416 9.2530 123.1812 50.3483 23.3335 174.7886 153 A 5.2279 9.2627 120.9176 50.1103 22.8098 175.1870 154 A 5.1020 8.9770 122.1895 50.0039 23.0908 174.6001 155 L 5.0985 8.7841 123.2347 53.4328 44.8443 175.7758 156 V 5.1911 8.7944 118.3209 59.5482 36.5210 174.6608 157 V 4.8074 8.8660 120.5628 60.1681 34.7771 174.4873 158 R 4.4749 8.9703 127.7760 55.9394 30.4933 176.7163 159 E 4.1706 8.1010 121.6908 55.9738 29.8646 172.2704 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 M 8.30 4.46 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 8.01 4.61 0.00 2.83 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 3 F 8.86 5.01 0.00 3.01 2.98 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 4 R 9.19 4.94 0.00 1.62 1.73 0.00 3.30 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 5 I 8.45 5.02 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 1.29 0.95 0.93 0.00 0.00 6 G 9.01 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.61 5.18 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 8 G 9.37 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.53 5.43 0.00 2.94 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 10 D 8.37 4.64 0.00 2.75 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 11 V 7.73 4.69 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 0.74 0.00 0.00 1.05 0.00 0.00 12 H 8.86 4.99 0.00 3.07 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.70 4.68 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 14 L 8.45 5.09 0.00 1.61 1.72 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.13 4.63 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 0.75 0.00 0.00 1.01 0.00 0.00 16 P 0.00 4.32 0.00 2.05 1.94 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 17 G 8.78 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 18 R 7.23 4.68 0.00 1.93 1.78 0.00 3.29 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 19 P 0.00 4.49 0.00 1.93 1.98 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 20 L 8.54 4.40 0.00 2.12 1.82 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.30 4.99 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.11 0.90 0.00 0.00 22 I 8.31 4.54 1.82 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 1.18 0.68 0.87 0.00 0.00 23 G 9.96 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 24 G 9.09 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.53 4.08 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 0.95 0.00 0.00 0.99 0.00 0.00 26 T 8.44 4.68 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 27 I 8.40 4.43 1.77 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 0.84 0.59 0.77 0.00 0.00 28 P 0.00 4.42 0.00 2.12 2.10 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 Y 8.33 4.73 0.00 2.92 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 30 E 7.85 4.02 0.00 2.03 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 2.23 1.90 0.00 31 R 6.64 4.94 0.00 1.62 2.01 0.00 3.09 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 0.00 32 G 8.84 4.52 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 0.00 33 L 8.44 5.03 0.00 1.57 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.39 4.14 0.00 1.66 1.57 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.83 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 *38 D 7.92 4.37 0.00 2.77 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 39 A 7.90 3.42 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.80 4.70 0.00 2.71 2.48 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 41 V 8.02 3.98 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 1.07 0.00 0.00 0.90 0.00 0.00 42 L 7.81 3.90 0.00 1.75 1.82 0.91 0.65 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 43 L 7.98 4.05 0.00 1.74 1.71 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.54 4.30 0.00 3.45 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.18 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.64 1.98 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 1.51 0.90 0.88 0.00 0.00 47 T 8.30 3.71 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 48 D 8.36 4.52 0.00 3.00 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 49 A 8.25 4.14 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 50 L 7.94 3.83 0.00 1.59 1.50 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.12 4.52 0.00 3.18 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 52 G 8.59 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 53 A 8.19 4.16 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 54 A 7.66 3.08 1.10 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 0.00 0.00 55 A 7.49 3.70 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 56 L 8.66 4.65 0.00 1.76 1.75 1.18 0.94 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 57 G 9.15 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 58 D 8.08 4.81 0.00 3.05 2.75 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 59 I 9.27 3.82 2.21 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 1.69 1.77 1.00 0.00 0.00 60 G 8.10 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 61 R 7.99 4.07 0.00 1.83 2.04 0.00 2.89 0.00 0.00 3.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 62 H 7.11 4.20 0.00 1.91 1.98 0.00 5.59 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 63 F 7.86 5.35 0.00 3.16 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 *74 D 8.28 4.42 0.00 3.15 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 75 S 8.77 4.23 0.00 3.87 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 76 R 8.05 3.93 0.00 1.97 2.01 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 77 A 8.58 3.93 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 78 L 7.72 3.38 0.00 1.74 1.30 0.79 -0.36 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 79 L 7.98 3.95 0.00 1.84 1.79 0.87 0.83 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 80 R 8.20 3.90 0.00 2.02 1.96 0.00 3.16 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 81 E 8.37 4.00 0.00 2.16 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 0.00 2.63 2.86 0.00 82 C 8.48 3.98 0.00 2.92 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 83 A 8.02 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.17 4.07 0.00 3.95 4.16 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 85 R 8.48 4.01 0.00 2.23 2.17 0.00 3.43 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 86 V 8.23 3.68 2.23 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 1.08 0.00 0.00 0.90 0.00 0.00 87 A 8.15 4.46 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 0.00 0.00 88 Q 8.24 3.91 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 89 A 7.97 4.36 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.70 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 0.00 0.00 0.00 91 F 8.13 5.07 0.00 3.13 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 92 A 9.05 4.87 1.22 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 0.00 0.00 93 I 8.35 4.23 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.91 0.00 0.00 94 R 9.12 4.59 0.00 1.90 2.07 0.00 3.49 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 95 N 7.63 5.00 0.00 2.85 2.87 0.00 0.00 5.61 7.68 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 96 V 8.85 4.94 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 1.00 0.00 0.00 0.92 0.00 0.00 97 D 9.30 5.41 0.00 2.77 2.43 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 98 S 8.16 5.11 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.93 4.91 4.25 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 1.21 0.00 0.00 100 I 8.92 4.68 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.93 0.00 0.00 101 I 9.00 4.84 1.87 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 1.16 0.66 0.92 0.00 0.00 102 A 8.85 4.75 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 0.00 103 Q 9.01 3.84 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 104 A 7.27 4.51 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 0.00 105 P 0.00 4.43 0.00 2.09 1.88 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 106 K 8.43 3.99 0.00 1.71 1.77 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.51 7.81 107 L 8.46 4.45 0.00 1.72 1.67 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.27 3.95 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 0.00 109 P 0.00 4.42 0.00 1.76 2.01 0.00 3.57 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 110 H 8.19 4.84 0.00 3.24 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.40 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.94 0.00 0.00 112 D 8.11 4.35 0.00 2.68 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 0.00 113 A 7.95 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 7.91 4.25 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 115 R 8.14 3.88 0.00 2.05 1.98 0.00 3.13 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 116 A 8.13 3.97 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 0.00 117 N 8.36 4.23 0.00 2.96 2.88 0.00 0.00 7.09 8.10 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 0.00 118 I 8.04 3.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.79 0.90 0.00 0.00 119 A 8.31 3.96 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 0.00 120 A 8.16 3.93 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 0.00 121 D 8.05 4.35 0.00 2.79 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 0.00 122 L 8.09 4.30 0.00 1.64 1.69 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.61 4.36 0.00 2.72 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 0.00 124 L 8.11 4.86 0.00 1.59 1.53 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.54 0.00 2.42 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 126 L 8.59 3.97 0.00 1.73 1.77 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.06 4.62 0.00 2.78 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 0.00 128 R 8.12 4.62 0.00 1.93 2.06 0.00 3.08 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 129 V 7.83 4.81 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.24 5.13 0.00 2.83 2.77 0.00 0.00 6.17 7.27 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 0.00 131 V 8.29 4.74 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 1.18 0.00 0.00 0.92 0.00 0.00 132 K 8.98 4.89 0.00 1.78 1.63 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.48 7.81 133 A 8.38 5.25 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.01 4.73 0.00 1.60 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.36 4.93 4.39 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 1.19 0.00 0.00 136 N 8.68 4.77 0.00 2.73 2.69 0.00 0.00 7.00 7.65 0.00 0.00 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 E 8.72 3.74 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 2.24 2.39 0.00 138 K 8.22 4.07 0.00 1.92 1.90 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.54 7.81 139 L 7.78 4.49 0.00 1.77 1.50 0.90 0.80 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 0.00 140 G 8.47 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.03 4.32 0.00 3.32 3.31 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 0.00 142 L 7.07 4.07 0.00 1.51 1.68 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.88 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 0.00 144 R 7.91 4.39 0.00 1.87 2.02 0.00 3.31 0.00 0.00 3.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 145 G 7.93 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 0.00 146 E 8.68 4.26 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 147 G 7.58 4.69 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 0.00 0.00 0.00 148 I 8.67 4.95 1.87 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 1.10 1.08 0.94 0.00 0.00 149 E 8.95 5.04 0.00 2.09 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 2.18 2.17 0.00 150 A 8.72 5.25 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 0.00 151 Q 9.12 5.19 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 152 A 9.25 5.24 1.19 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 0.00 153 A 9.26 5.23 1.19 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 0.00 154 A 8.98 5.10 1.18 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 0.00 155 L 8.78 5.10 0.00 1.79 1.71 1.06 0.75 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 0.00 156 V 8.79 5.19 2.24 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 0.65 0.00 0.00 0.76 0.00 0.00 157 V 8.87 4.81 1.57 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 0.78 0.00 0.00 0.19 0.00 0.00 158 R 8.97 4.47 0.00 1.31 1.91 0.00 2.40 0.00 0.00 3.02 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.00 159 E 8.10 4.17 0.00 2.03 1.69 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 2.19 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.