NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.6944 8.4449 120.2004 56.6445 30.8790 174.5823 4 Y 4.6105 9.4702 122.2939 55.7280 42.6905 173.9552 5 K 4.8252 9.2832 120.9717 55.5526 36.1132 174.8950 6 L 4.9401 8.8347 125.6926 52.8216 44.6606 175.9791 7 V 4.8023 8.0088 121.3530 61.0759 34.7464 174.1935 8 V 4.6540 8.6532 127.4382 61.3148 33.5374 174.4642 9 L 4.9540 9.8310 127.0630 52.9361 46.2371 175.4065 10 G 4.4541 8.7351 105.8432 42.9963 0.0000 173.2073 11 S 4.4442 8.1121 117.5020 57.4875 63.7175 174.4861 12 G 3.6818 8.2935 110.4321 46.9365 0.0000 174.0232 13 G 3.8938 8.9015 109.8514 45.6791 0.0000 174.4380 14 V 3.8362 7.6087 120.5511 64.5272 32.2352 176.4913 15 G 4.2434 8.4256 108.5829 45.7420 0.0000 175.7752 16 K 3.9884 8.6050 122.0045 59.2591 32.0309 179.1862 17 S 4.4014 8.3314 115.1511 60.7691 62.9832 176.0947 18 A 3.9482 7.9687 123.9242 54.8885 18.3323 179.3200 19 L 4.0050 7.9253 117.4046 58.3534 41.7256 179.8924 20 T 3.9038 8.0406 115.5111 66.7660 68.3859 176.9107 21 V 3.2309 7.8476 120.0635 65.8205 31.3148 177.8819 22 Q 4.0346 8.2401 118.5596 58.5749 28.8323 177.7312 23 F 4.2891 7.7752 120.7177 60.9922 39.7714 177.6638 24 V 3.5228 7.5409 109.7664 63.2606 31.4543 175.9795 25 Q 4.5757 7.7451 117.9103 58.0003 36.4201 173.7652 26 G 4.1186 7.9561 105.9177 44.3358 0.0000 173.6008 27 I 3.9708 9.3002 125.0189 61.6723 37.9025 177.7935 28 F 3.8859 8.8165 124.0628 59.1178 39.2669 176.2162 29 V 3.8535 7.4529 112.4023 63.2131 31.9123 176.1239 30 E 4.6939 7.5742 116.5660 53.8543 33.4359 175.1546 31 K 4.0919 8.4387 120.5477 56.9491 33.3930 175.7904 32 Y 4.3230 8.4388 122.0968 55.9405 39.7284 174.5174 33 D 4.4621 7.8126 127.9912 51.9821 41.4061 173.5583 34 P 4.1071 0.0000 0.0000 63.1388 31.5240 176.5538 35 T 4.4725 8.3046 108.2939 61.3718 69.1969 173.9588 36 I 4.4759 7.3694 115.9125 58.7438 40.0528 175.9015 37 E 3.8682 8.8252 122.7244 59.5905 29.4360 177.6260 38 D 4.7894 7.8815 115.5943 54.0766 41.2485 177.9035 39 S 3.7827 8.0816 118.3454 61.5379 62.8770 174.9853 40 Y 4.8644 7.8796 114.1774 57.6320 39.6933 175.0817 41 R 5.1327 7.8835 119.1158 54.7323 31.8164 175.9511 42 K 4.5249 9.1292 124.7832 54.6033 35.8230 174.7313 43 Q 4.7246 8.7075 128.7227 55.9780 29.4510 175.5046 44 V 4.1355 9.0857 123.0568 63.1254 34.3038 173.8471 *50 Q 5.0473 7.8403 118.8127 56.3050 29.5068 174.0411 51 C 4.9527 8.3111 123.3297 57.9942 32.9549 173.2621 52 M 4.7044 8.7412 122.2335 54.5498 32.9625 174.3816 53 L 4.9717 8.7733 127.3340 53.5554 44.0703 175.6228 54 E 5.1234 8.9373 122.8319 54.8125 32.0516 174.9646 55 I 4.5982 8.6842 125.8341 59.8962 38.7717 175.5953 56 L 3.9850 8.9178 129.3040 53.3065 42.2578 174.9825 57 D 5.3803 8.2577 124.3058 52.5409 43.8287 176.5265 58 T 4.4523 8.5331 114.3781 61.3546 69.4691 174.4772 59 A 4.4706 7.5744 125.9088 53.4635 18.6998 177.9970 60 G 4.1790 8.8993 112.1827 45.4232 0.0000 174.4008 61 T 4.8817 7.8299 108.2066 61.3465 69.5498 175.5897 62 E 3.9258 8.4294 124.6281 60.0345 29.5152 179.2194 63 Q 3.9039 7.7808 114.9128 57.8543 28.9792 176.3045 64 F 4.7518 7.6806 119.0843 55.9645 38.3426 176.1972 65 T 3.9172 8.2912 123.1225 66.2867 68.3263 175.8671 66 A 4.0489 8.0356 122.4056 54.9083 18.4575 179.2312 67 M 3.7092 7.9161 117.2551 58.7834 32.3015 178.6839 68 R 3.9095 7.8228 115.7469 59.3625 29.5484 178.3486 69 D 4.3535 8.0713 119.4762 57.0853 40.3038 178.3909 70 L 4.0342 8.0930 120.9062 58.3868 42.0313 178.6515 71 Y 4.4243 8.0398 116.2511 61.1364 37.7001 177.7474 72 M 4.5051 8.4731 119.3430 58.4801 32.1456 178.3521 73 K 4.1368 8.2578 118.8756 59.1310 32.4800 177.7798 74 N 4.7881 7.7884 113.7212 52.7456 39.4701 175.6035 75 G 3.6612 7.7341 110.1507 45.2180 0.0000 173.5357 76 Q 4.6636 8.7140 121.3190 55.6797 30.9814 175.8634 77 G 4.6250 7.3236 104.9179 45.5141 0.0000 171.5951 78 F 5.3967 8.6447 118.1943 55.5354 43.6477 173.2406 79 A 5.0128 9.0684 125.5083 50.1887 21.3834 175.2487 80 L 4.7951 8.8493 123.6628 53.3680 43.3947 175.6264 81 V 4.8811 8.4194 124.8053 61.2035 32.9795 174.3155 82 Y 5.0468 8.6350 124.4353 55.3168 42.3695 173.7004 83 S 5.1016 8.5905 114.1427 56.7837 64.1734 174.2700 84 I 4.3569 8.4684 126.6608 62.7158 37.4430 177.2532 85 T 4.4234 8.1283 111.8207 61.5324 68.8110 175.0013 86 A 4.3609 8.8455 126.8553 51.8428 19.8249 178.7161 87 Q 3.1452 7.2431 116.2633 57.4758 32.0846 179.5767 88 S 4.1279 8.3534 112.5050 61.4234 62.8604 177.0297 89 T 4.0891 7.9713 117.6290 65.8183 68.3251 176.0685 90 F 4.0842 8.0091 121.5528 61.4269 39.2923 177.1221 91 N 4.2501 8.0388 114.2941 55.8490 38.3680 176.3597 92 D 4.5425 7.7396 118.1801 55.4106 40.6935 177.4378 93 L 4.2632 7.4688 121.0321 56.4939 41.8804 178.5633 94 Q 3.9431 7.8666 117.4777 59.7053 28.1651 178.7516 95 D 4.3125 7.9687 120.4857 56.7135 40.8910 178.6374 96 L 3.9192 7.7855 119.0105 57.6900 41.6986 179.0230 97 R 3.7995 7.5134 117.4850 59.7255 29.6804 178.3719 98 E 3.9033 7.6091 116.8433 59.4849 29.5665 178.8328 99 Q 4.0443 8.1211 118.6969 58.9250 29.3908 177.9868 100 I 3.8195 7.5858 121.0169 63.5143 37.5970 176.5960 101 L 4.4166 7.0841 122.7653 54.0895 39.7382 176.0605 102 R 4.9052 7.6559 133.0729 57.2065 31.3481 175.6737 103 V 3.7965 7.5431 116.5857 64.9040 31.6171 176.6307 104 K 4.2718 7.9443 115.1022 55.8780 33.6611 175.3457 105 D 4.3565 7.9981 118.1438 56.3039 37.7082 171.2990 106 T 4.8216 7.2973 113.9575 62.2661 72.8027 172.6054 107 D 4.7685 8.8786 118.0749 56.0692 43.1593 176.0734 108 D 5.0353 7.8964 116.0804 52.3479 43.9327 175.5782 109 V 4.4953 8.0553 121.4665 60.2072 34.9196 172.8231 110 P 4.6293 0.0000 0.0000 63.4552 32.0824 175.0189 111 M 5.2874 8.7972 119.8731 54.5778 34.6664 173.6206 112 I 4.7066 8.8674 119.4540 59.2270 42.2542 173.3477 113 L 5.0768 8.9068 130.5065 53.7548 44.0253 175.1238 114 V 4.2886 8.9428 126.2828 61.2033 34.3692 174.7726 115 G 3.2668 8.7215 117.2585 44.6767 0.0000 172.3513 116 N 4.8033 8.4359 125.7985 53.7798 41.2345 174.9935 117 K 4.0457 8.6389 119.5706 57.0835 29.1750 178.1482 118 C 4.1637 8.1622 116.6081 60.8639 29.4650 174.9277 119 D 4.3124 8.1224 119.7234 55.3574 39.1371 175.9177 120 L 4.3898 7.6037 120.2255 54.4666 39.3847 175.7755 121 E 4.5489 8.4348 123.5011 56.3002 30.9649 177.4423 122 D 4.6161 8.0667 117.1108 54.3014 39.9410 176.4565 123 E 4.5610 7.8200 117.7259 55.8951 30.7397 175.9263 124 R 4.2707 7.4768 119.7162 56.4998 30.5242 176.4983 125 V 4.3596 8.5295 116.1243 60.6125 34.0394 175.8938 126 V 4.1320 7.8027 118.7101 61.1537 32.6429 175.6481 127 G 4.1173 7.9746 112.2111 42.9780 0.0000 174.9190 128 K 4.3548 8.4034 121.5315 58.8090 31.9819 179.0849 129 E 3.8586 8.2391 118.2278 59.8827 29.3950 179.3211 130 Q 3.9303 7.9996 117.0899 59.0900 28.5210 179.3776 131 G 3.6985 7.2458 105.6198 47.1152 0.0000 175.6200 132 Q 3.5380 7.5000 119.8579 58.4986 28.7786 177.9831 133 N 4.3888 8.5008 117.4203 56.8650 38.7214 176.5013 134 L 3.8311 7.7954 119.6273 57.1922 42.4129 176.1033 *142 A 4.2535 7.2642 117.3753 51.7696 20.3269 174.3605 143 F 5.4216 8.8336 123.9898 56.4966 43.0353 173.6811 144 L 4.3150 7.5787 126.2296 53.4069 45.5305 174.4808 145 E 4.6709 8.4526 125.8159 55.1244 30.9607 175.0717 146 S 4.7941 8.2334 119.2482 56.5272 67.2505 173.1308 147 S 4.5881 8.6703 113.9333 57.2871 64.8144 174.6304 148 A 3.9993 8.5937 131.2085 55.3118 18.6207 179.7270 149 K 3.9854 8.0411 113.8407 59.8939 32.2219 178.5064 150 S 4.2110 7.7904 111.2444 58.3769 63.1474 174.2168 151 K 3.7771 7.0785 121.3214 57.4603 30.7895 174.5582 152 I 4.2803 7.9725 121.1698 60.7365 39.0350 176.5598 153 N 4.2926 8.9132 121.4602 54.2688 36.2770 176.7820 154 V 3.6665 7.8340 119.5117 66.2892 32.1897 178.0806 155 N 4.4506 8.2225 116.9655 55.9305 38.2440 176.7041 156 E 4.0265 8.3789 120.3799 60.0664 29.3488 178.9542 157 I 3.3236 7.1000 119.4929 64.3287 36.6261 177.6812 158 F 3.9727 7.2713 114.5587 58.9436 38.9014 177.8898 159 Y 4.3389 7.6307 117.2006 61.3939 37.8745 177.2149 160 D 4.4680 8.3456 119.9636 57.9268 40.7381 179.3796 161 L 4.1388 7.3076 117.7109 57.2959 41.7257 179.1804 162 V 3.8908 7.2733 117.4018 65.6558 31.5153 178.0054 163 R 4.1063 7.8769 117.3380 58.8303 29.9583 177.1443 164 Q 4.3481 7.9939 121.5872 56.1022 29.0209 175.5842 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 E 8.44 4.69 0.00 1.84 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 2.24 2.31 0.00 4 Y 9.47 4.61 0.00 2.87 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 5 K 9.28 4.83 0.00 1.60 1.60 0.00 1.60 0.00 0.00 1.89 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.45 7.81 6 L 8.83 4.94 0.00 1.62 1.56 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.01 4.80 1.53 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 1.28 0.00 0.00 0.79 0.00 0.00 8 V 8.65 4.65 2.35 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 0.96 0.00 0.00 1.08 0.00 0.00 9 L 9.83 4.95 0.00 1.77 1.57 1.08 1.09 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 10 G 8.74 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.44 0.00 3.91 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 12 G 8.29 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 0.00 0.00 0.00 13 G 8.90 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 14 V 7.61 3.84 2.36 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 0.88 0.00 0.00 0.99 0.00 0.00 15 G 8.43 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 0.00 0.00 0.00 0.00 16 K 8.61 3.99 0.00 1.86 2.01 0.00 1.73 0.00 0.00 2.03 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.54 7.81 17 S 8.33 4.40 0.00 4.09 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 18 A 7.97 3.95 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 19 L 7.93 4.01 0.00 1.96 1.90 0.96 0.86 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 20 T 8.04 3.90 4.47 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 1.37 0.00 0.00 21 V 7.85 3.23 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 0.55 0.00 0.00 0.32 0.00 0.00 22 Q 8.24 4.03 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 23 F 7.78 4.29 0.00 2.95 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 24 V 7.54 3.52 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 0.96 0.00 0.00 1.01 0.00 0.00 25 Q 7.75 4.58 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.15 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 26 G 7.96 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 0.00 0.00 0.00 27 I 9.30 3.97 1.90 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 1.15 0.97 0.98 0.00 0.00 28 F 8.82 3.89 0.00 3.11 3.20 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 29 V 7.45 3.85 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 0.79 0.00 0.00 0.99 0.00 0.00 30 E 7.57 4.69 0.00 1.88 1.76 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 2.15 2.23 0.00 31 K 8.44 4.09 0.00 1.85 1.77 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.37 7.81 32 Y 8.44 4.32 0.00 2.88 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 33 D 7.81 4.46 0.00 2.48 2.30 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 P 0.00 4.11 0.00 2.36 2.33 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 35 T 8.30 4.47 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 36 I 7.37 4.48 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.08 0.88 0.00 0.00 37 E 8.83 3.87 0.00 1.94 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 2.30 2.38 0.00 38 D 7.88 4.79 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.08 3.78 0.00 3.38 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.88 4.86 0.00 2.95 3.02 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 41 R 7.88 5.13 0.00 1.68 1.88 0.00 3.24 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 K 9.13 4.52 0.00 1.58 1.49 0.00 0.68 0.00 0.00 0.65 0.00 0.00 2.46 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.13 1.12 7.81 43 Q 8.71 4.72 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 V 9.09 4.14 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 1.22 0.00 0.00 1.09 0.00 0.00 *50 Q 7.84 5.05 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 51 C 8.31 4.95 0.00 2.48 2.40 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 52 M 8.74 4.70 0.00 2.36 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 53 L 8.77 4.97 0.00 1.75 1.61 1.02 0.48 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 54 E 8.94 5.12 0.00 1.92 1.81 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 2.28 2.28 0.00 55 I 8.68 4.60 1.92 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.49 0.93 0.00 0.00 56 L 8.92 3.98 0.00 1.17 0.37 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.26 5.38 0.00 2.71 2.47 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 58 T 8.53 4.45 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 1.35 0.00 0.00 59 A 7.57 4.47 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 60 G 8.90 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 61 T 7.83 4.88 4.48 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 1.33 0.00 0.00 62 E 8.43 3.93 0.00 2.06 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 2.41 2.47 0.00 63 Q 7.78 3.90 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.10 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 64 F 7.68 4.75 0.00 3.22 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 65 T 8.29 3.92 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 66 A 8.04 4.05 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 67 M 7.92 3.71 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.41 0.00 68 R 7.82 3.91 0.00 2.11 2.16 0.00 3.04 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 69 D 8.07 4.35 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.09 4.03 0.00 1.87 1.89 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.04 4.42 0.00 3.20 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 72 M 8.47 4.51 0.00 2.01 2.39 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.59 0.00 73 K 8.26 4.14 0.00 1.94 2.10 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.52 7.81 74 N 7.79 4.79 0.00 2.77 2.84 0.00 0.00 7.01 7.53 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 75 G 7.73 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 76 Q 8.71 4.66 0.00 1.88 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 77 G 7.32 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.64 5.40 0.00 3.01 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.07 5.01 1.04 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 0.00 0.00 80 L 8.85 4.80 0.00 1.68 1.68 0.92 0.56 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 81 V 8.42 4.88 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.94 0.00 0.00 82 Y 8.63 5.05 0.00 3.22 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.59 5.10 0.00 3.95 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 84 I 8.47 4.36 1.91 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 1.29 0.54 1.07 0.00 0.00 85 T 8.13 4.42 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 86 A 8.85 4.36 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 87 Q 7.24 3.15 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 88 S 8.35 4.13 0.00 4.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.97 4.09 4.54 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 1.35 0.00 0.00 90 F 8.01 4.08 0.00 2.89 3.18 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 91 N 8.04 4.25 0.00 2.91 2.86 0.00 0.00 7.16 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 92 D 7.74 4.54 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 93 L 7.47 4.26 0.00 1.45 1.56 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 7.87 3.94 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 95 D 7.97 4.31 0.00 2.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.79 3.92 0.00 1.66 1.70 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.51 3.80 0.00 1.86 2.08 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 98 E 7.61 3.90 0.00 2.05 1.95 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 2.30 2.54 0.00 99 Q 8.12 4.04 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 100 I 7.59 3.82 1.75 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.54 0.21 0.00 0.00 101 L 7.08 4.42 0.00 1.71 1.61 0.92 0.90 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 0.00 102 R 7.66 4.91 0.00 1.75 2.01 0.00 3.21 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 103 V 7.54 3.80 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 0.93 0.00 0.00 1.00 0.00 0.00 104 K 7.94 4.27 0.00 1.92 1.93 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.36 1.44 7.81 105 D 8.00 4.36 0.00 2.85 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 0.00 106 T 7.30 4.82 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 0.00 107 D 8.88 4.77 0.00 2.61 2.65 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 0.00 108 D 7.90 5.04 0.00 2.62 2.55 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 0.00 0.00 0.00 0.00 109 V 8.06 4.50 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 1.06 0.00 0.00 0.88 0.00 0.00 110 P 0.00 4.63 0.00 2.23 2.16 0.00 3.98 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.04 0.00 111 M 8.80 5.29 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 112 I 8.87 4.71 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.60 0.79 0.00 0.00 113 L 8.91 5.08 0.00 1.97 1.96 1.15 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.94 4.29 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 0.77 0.00 0.00 0.76 0.00 0.00 115 G 8.72 3.27 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 0.00 116 N 8.44 4.80 0.00 2.72 2.66 0.00 0.00 7.23 5.54 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 0.00 117 K 8.64 4.05 0.00 2.02 1.93 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.38 7.81 118 C 8.16 4.16 0.00 3.03 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 0.00 119 D 8.12 4.31 0.00 2.79 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 0.00 120 L 7.60 4.39 0.00 1.81 1.76 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.43 4.55 0.00 2.02 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 2.32 2.30 0.00 122 D 8.07 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 0.00 123 E 7.82 4.56 0.00 1.95 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 2.20 2.25 0.00 124 R 7.48 4.27 0.00 1.92 1.84 0.00 3.21 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.62 0.00 125 V 8.53 4.36 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 0.74 0.00 0.00 0.98 0.00 0.00 126 V 7.80 4.13 2.18 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 0.48 0.00 0.00 0.87 0.00 0.00 127 G 7.97 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 0.00 0.00 0.00 128 K 8.40 4.35 0.00 1.86 2.03 0.00 2.05 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 2.07 1.46 7.81 129 E 8.24 3.86 0.00 1.94 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 2.38 2.41 0.00 130 Q 8.00 3.93 0.00 1.57 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 131 G 7.25 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 0.00 132 Q 7.50 3.54 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 133 N 8.50 4.39 0.00 2.73 2.87 0.00 0.00 7.02 7.73 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 0.00 134 L 7.80 3.83 0.00 2.03 1.85 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *142 A 7.26 4.25 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 0.00 143 F 8.83 5.42 0.00 3.00 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 0.00 144 L 7.58 4.31 0.00 1.53 1.13 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.45 4.67 0.00 1.86 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 2.26 2.38 0.00 146 S 8.23 4.79 0.00 4.01 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 0.00 147 S 8.67 4.59 0.00 3.85 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 0.00 148 A 8.59 4.00 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 0.00 149 K 8.04 3.99 0.00 1.75 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 150 S 7.79 4.21 0.00 3.80 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 0.00 151 K 7.08 3.78 0.00 1.75 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.41 7.81 152 I 7.97 4.28 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 1.29 0.97 0.88 0.00 0.00 153 N 8.91 4.29 0.00 2.85 2.82 0.00 0.00 6.75 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 0.00 154 V 7.83 3.67 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 1.18 0.00 0.00 0.96 0.00 0.00 155 N 8.22 4.45 0.00 2.77 2.36 0.00 0.00 6.66 7.66 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 0.00 156 E 8.38 4.03 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 157 I 7.10 3.32 1.48 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 1.24 0.61 -0.13 0.00 0.00 158 F 7.27 3.97 0.00 2.39 2.53 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 0.00 159 Y 7.63 4.34 0.00 3.25 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 0.00 160 D 8.35 4.47 0.00 2.90 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 0.00 161 L 7.31 4.14 0.00 1.45 1.74 0.78 0.97 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 0.00 162 V 7.27 3.89 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 0.48 0.00 0.00 0.98 0.00 0.00 163 R 7.88 4.11 0.00 2.08 2.00 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 164 Q 7.99 4.35 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 * Residues marked with a * may have inaccurate shift predictions.