NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4266 8.2649 122.4696 51.4607 19.7974 176.6469 3 V 3.7556 8.6335 116.0552 61.5631 32.6500 174.1134 4 D 4.5443 9.6209 125.0820 52.9960 44.2198 174.9842 *6 F 4.8878 8.2493 116.5910 57.7147 40.9751 174.3849 7 I 4.8261 8.4679 120.5932 59.1933 41.5493 173.5323 8 K 4.7439 8.8739 130.8684 54.6963 34.4721 174.6218 9 I 4.3597 8.0819 127.8987 59.0106 39.6255 175.6664 10 G 3.7004 8.6231 118.7078 47.3916 0.0000 173.2190 11 D 4.8576 8.6723 122.9056 53.5603 41.1626 176.0222 12 V 3.7090 7.6143 120.0398 62.8899 31.9186 175.3197 13 K 4.5660 8.5954 126.5100 55.4757 33.4400 176.4574 14 G 4.2793 8.7192 113.6519 44.8153 0.0000 174.3265 15 E 4.9361 8.7536 123.6618 55.9992 31.0575 176.3667 16 S 4.6735 8.2111 115.9049 58.4277 63.0841 175.0439 17 K 4.4136 8.8093 124.7644 56.2436 32.3482 176.4639 18 D 4.4742 7.8132 119.9313 54.1673 41.6676 177.3739 19 K 3.9730 8.7536 125.5807 59.2454 32.2594 178.0851 20 T 4.2170 7.8054 106.5847 62.3264 69.9273 174.7679 21 H 4.5205 7.9791 119.5791 54.5657 29.3040 173.5582 22 A 4.2606 7.1315 121.5527 54.2716 18.5549 178.5779 23 E 4.1591 9.0204 119.6955 56.9619 28.0106 174.5805 24 E 4.4708 7.8536 120.1431 55.6999 32.5027 174.6182 25 I 4.7756 8.1386 120.8633 60.2121 39.0671 175.6070 26 D 4.8147 8.9067 127.2887 54.3462 42.0576 175.1605 27 V 4.6601 8.1560 122.9852 61.4346 32.7226 175.1351 28 L 4.4457 9.0369 127.6715 56.4835 42.8725 176.4613 29 A 4.7493 7.8710 117.6574 51.3046 22.3146 175.0671 30 W 5.7605 8.4578 115.3503 55.9518 31.2381 173.7841 31 S 4.4550 9.3809 114.4902 57.4205 66.0639 172.6655 32 W 5.2846 8.3512 129.2376 57.7819 33.7160 173.6710 33 G 3.5457 7.2679 110.3280 44.9806 0.0000 172.2513 *35 S 4.3903 8.0707 112.6356 58.1728 64.8252 172.4358 36 Q 5.0019 8.3127 121.4418 54.4824 30.8463 175.2088 37 S 4.4029 8.8376 120.6756 59.0884 63.8064 175.0390 38 G 3.8238 8.0813 110.1355 46.1019 0.0000 173.2877 39 S 4.2318 7.7762 113.1618 57.3946 64.6083 172.8890 *41 H 4.6737 8.7666 113.3693 55.9824 30.8749 173.2785 *48 A 4.2862 7.6573 120.1149 51.8973 19.2529 173.2247 49 G 4.5252 8.3543 101.8432 45.3231 0.0000 172.1706 50 K 4.9971 8.6242 117.6307 55.1255 36.3973 176.1390 51 V 4.2280 8.4169 121.6012 61.5436 32.6893 174.6679 52 N 4.9097 9.1320 122.6381 51.9687 40.5424 173.5929 53 V 4.3112 8.3535 126.4292 61.4683 32.9339 175.5838 54 Q 4.4494 8.8038 127.2744 55.4606 29.6308 175.7228 55 D 4.6739 8.6890 120.4907 54.5875 42.1277 175.5514 56 L 4.8845 9.1038 123.1398 54.4571 43.7622 175.4112 57 S 5.5691 9.2913 122.6219 57.1353 65.3558 173.1968 58 F 5.5614 9.0463 117.8067 55.8694 41.9173 173.1277 59 T 5.0448 9.2626 117.3419 61.8745 71.0328 173.7859 60 K 5.0310 8.7517 123.6853 55.2435 36.8107 175.0537 61 Y 4.7914 8.3559 118.0303 57.5565 38.8827 175.9005 62 I 3.9250 8.4182 124.1323 62.2304 37.8741 175.3651 63 D 4.7348 8.8977 125.9624 51.3395 41.8661 175.6186 64 K 4.1125 8.5256 118.5730 59.7645 32.5398 178.5342 65 S 4.3287 8.4250 115.8950 61.0016 62.8660 176.1296 66 T 3.9019 7.8075 119.3738 66.6364 68.3576 174.0473 67 P 4.4232 0.0000 0.0000 65.6506 31.4345 178.1938 68 N 4.6597 8.0793 114.1743 55.5313 40.0457 177.0088 69 L 4.3821 8.0602 121.7782 54.7915 38.0378 177.0425 *72 A 4.1885 7.8008 125.0479 52.1513 21.0694 178.9807 73 C 4.5598 8.2983 114.2465 62.2915 31.8434 175.1696 74 S 4.3066 8.1754 114.0668 61.5931 62.5088 175.8423 75 S 4.1744 8.0591 112.8913 58.9499 63.2827 174.9908 76 G 3.8976 8.1148 108.2218 45.9681 0.0000 173.5858 77 K 4.1626 7.6875 118.4111 55.8748 32.7533 176.1597 78 H 5.1099 8.1120 117.6045 54.2505 31.2079 173.3357 79 Y 4.5863 8.7575 117.7271 56.3551 39.5445 175.0526 80 P 4.3883 0.0000 0.0000 65.6347 32.6060 176.0340 81 Q 5.1308 7.9964 117.9126 54.6503 32.9409 173.2337 82 A 5.0558 9.0798 125.2576 50.0159 23.1989 175.0847 83 K 4.6427 8.9991 121.4031 54.6122 35.6453 174.6730 84 L 4.6071 8.6456 130.8105 53.9786 43.5633 175.0092 85 T 4.7773 8.7818 123.6864 61.7797 70.7798 173.6620 86 I 4.4643 8.5027 127.9428 59.3897 39.6727 174.6709 87 R 5.1561 9.0402 127.6235 53.9940 33.1519 174.9850 88 K 4.3969 9.0319 125.0018 56.4396 32.8598 176.7589 89 A 4.0664 8.6120 124.8778 53.0140 18.5820 176.6683 90 G 3.3235 10.1180 109.9998 44.2879 0.0000 172.2579 91 G 3.7603 8.3728 106.0594 43.8910 0.0000 174.1222 92 E 4.0982 8.7460 115.8857 58.4208 29.4883 177.2188 93 N 4.6797 7.9109 115.2551 53.4762 39.3824 175.0649 94 Q 4.2446 7.8359 117.6853 55.0805 29.7060 175.8587 95 V 3.7829 8.1152 119.4985 62.8780 31.9298 175.6038 96 E 4.9163 8.5964 127.8731 56.2368 27.7681 175.5846 97 Y 4.3002 8.2372 121.3506 57.8292 40.2012 175.0031 98 L 4.9903 7.1791 122.3132 53.3076 45.5064 175.0232 99 I 4.8453 8.6637 126.5715 59.5200 41.0459 174.3228 100 I 4.6602 8.5134 128.2825 59.7633 39.7396 174.6195 101 T 4.7853 8.7218 124.7339 61.6182 70.9332 173.3643 102 L 4.8605 8.8598 126.6861 52.7025 44.7288 175.6086 103 K 4.8207 8.6736 122.1599 55.5943 35.6890 174.2244 104 E 3.7389 9.2419 125.2231 56.5732 26.6585 171.4870 105 V 4.9913 9.2275 120.5809 60.9850 34.2328 173.9599 106 L 4.9864 9.3789 128.5300 53.1817 44.2508 176.3321 107 V 4.4862 8.4698 123.2828 62.5790 31.4121 176.2757 108 S 4.5547 8.9820 124.5127 60.5609 63.9713 174.3676 109 S 4.6919 7.6133 113.0703 57.4966 66.4833 174.3380 110 V 4.8069 8.2934 120.2646 61.4332 34.3781 174.5509 111 S 4.6696 9.4344 123.7999 57.1475 65.9712 173.0440 112 T 4.8385 9.6671 118.4072 59.7502 71.0929 173.0241 113 G 3.9071 6.6565 110.1411 46.0935 0.0000 171.6995 114 G 4.0475 7.5899 106.8357 45.3404 0.0000 172.5837 115 S 4.8186 8.7290 115.5631 56.5892 65.6089 174.7851 116 G 4.0491 8.6161 109.2678 45.9057 0.0000 174.8468 117 G 3.9885 7.8880 109.7063 45.5397 0.0000 174.7108 118 E 4.1859 7.7679 120.3389 56.2497 29.9079 176.6216 119 D 4.5562 8.6580 122.2809 54.3115 40.4721 176.6025 120 R 4.4971 7.7031 117.6347 53.9883 32.8370 174.7596 121 L 4.5296 8.4842 123.5094 54.8114 43.0329 176.2351 122 T 5.3247 8.4759 111.2846 60.1458 72.6770 172.1538 123 E 4.9666 9.2969 119.3251 55.2274 33.8220 173.3762 124 N 5.2058 9.0384 118.3301 51.4978 41.3764 174.0690 125 V 4.8161 8.1170 122.9678 61.0671 35.0837 174.1953 126 T 5.2589 8.6054 116.4306 59.9044 72.1277 172.6617 127 L 5.4597 9.3463 123.5328 53.1376 45.3115 174.8121 128 N 5.3608 9.3627 122.7534 51.8969 41.3020 173.3687 129 F 5.9746 7.7055 118.3625 55.1094 40.8965 174.1792 130 A 4.3521 8.9175 122.0153 54.7241 19.5555 177.5854 131 Q 5.3194 8.1807 112.3712 54.4908 33.8244 174.7244 132 V 4.7499 9.0121 120.6244 60.1304 35.3127 173.8951 133 Q 4.9003 9.1850 124.3111 54.2686 32.5609 173.8610 134 V 4.8752 9.2793 125.7439 61.2328 34.8120 173.6569 135 D 5.3735 9.2382 128.0557 52.8470 43.6289 174.2104 136 Y 5.0546 9.0890 126.0152 55.9080 41.0113 174.0983 137 Q 4.6050 8.1969 129.2701 53.9253 29.7525 173.4653 138 P 4.7262 0.0000 0.0000 62.6663 32.9306 175.5535 139 Q 5.1171 8.3720 119.2492 54.1522 32.8001 175.5398 140 K 4.3070 9.4433 122.1369 55.2935 33.2233 178.2154 141 A 3.9680 8.4976 122.9224 55.2655 18.2195 178.2810 142 D 4.5212 8.0218 112.6694 53.7179 39.9050 177.2902 143 G 3.8980 8.3213 109.3996 44.9604 0.0000 173.9855 144 A 4.2104 8.0846 122.1490 51.4313 19.6839 177.3056 145 K 4.1608 8.6700 120.1481 57.2448 32.8285 176.5487 146 D 4.4420 9.1308 126.1362 53.3676 40.8370 177.3247 147 G 3.7846 8.3831 117.1396 45.5688 0.0000 170.8516 148 G 4.0355 8.3616 109.6098 43.0522 0.0000 171.2878 149 P 4.6429 0.0000 0.0000 62.7801 32.2257 176.0637 150 V 4.1842 9.3419 123.1542 62.0182 32.8162 174.4089 151 K 5.1720 8.7880 128.9714 54.8711 34.6024 174.3264 152 Y 5.0239 9.2407 127.5970 55.8566 42.1609 174.3508 153 G 4.2872 8.3440 112.0925 44.2705 0.0000 170.9743 154 W 5.3536 8.9212 133.9726 55.6714 34.8523 173.3865 155 N 4.7854 8.5622 126.7789 52.2774 38.2432 175.5801 156 I 4.0177 8.7131 127.9387 64.4886 37.6692 177.9559 157 R 4.0389 8.3191 118.7795 59.4412 29.6447 177.0091 158 Q 4.2521 8.2109 112.7617 54.9666 29.3676 174.8336 159 N 4.3521 7.9190 115.5810 54.7057 37.9791 173.5395 160 V 3.9393 6.2871 107.4520 58.5405 36.7426 175.5287 161 Q 4.3383 8.1124 122.9332 56.7638 29.6744 176.2291 162 A 4.2548 8.5288 126.1001 52.1501 19.0486 175.8127 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 2 A 8.26 4.43 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.63 3.76 2.41 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 0.87 0.00 0.00 1.07 0.00 0.00 4 D 9.62 4.54 0.00 2.65 2.39 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 *6 F 8.25 4.89 0.00 2.79 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 7 I 8.47 4.83 1.32 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.20 0.28 0.00 0.00 8 K 8.87 4.74 0.00 1.77 1.53 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.31 7.81 9 I 8.08 4.36 1.54 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 1.08 0.64 0.10 0.00 0.00 10 G 8.62 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 11 D 8.67 4.86 0.00 2.69 2.66 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 12 V 7.61 3.71 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 0.76 0.00 0.00 0.91 0.00 0.00 13 K 8.60 4.57 0.00 1.68 1.72 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.37 7.81 14 G 8.72 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 0.00 0.00 0.00 0.00 15 E 8.75 4.94 0.00 1.88 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 2.22 2.30 0.00 16 S 8.21 4.67 0.00 4.18 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 17 K 8.81 4.41 0.00 1.82 1.84 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.37 7.81 18 D 7.81 4.47 0.00 2.84 2.27 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 19 K 8.75 3.97 0.00 1.76 1.83 0.00 2.01 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 20 T 7.81 4.22 4.04 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 1.14 0.00 0.00 21 H 7.98 4.52 0.00 2.03 2.86 0.00 5.64 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 22 A 7.13 4.26 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 23 E 9.02 4.16 0.00 2.20 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 2.21 2.21 0.00 24 E 7.85 4.47 0.00 2.06 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 0.00 2.25 2.34 0.00 25 I 8.14 4.78 1.98 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 1.29 0.70 1.07 0.00 0.00 26 D 8.91 4.81 0.00 2.80 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 27 V 8.16 4.66 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 0.94 0.00 0.00 0.71 0.00 0.00 28 L 9.04 4.45 0.00 1.39 1.58 0.10 0.47 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 29 A 7.87 4.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.46 5.76 0.00 3.66 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 31 S 9.38 4.46 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 32 W 8.35 5.28 0.00 3.60 3.52 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 33 G 7.27 3.55 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 0.00 0.00 0.00 *35 S 8.07 4.39 0.00 3.86 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 36 Q 8.31 5.00 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.04 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 37 S 8.84 4.40 0.00 3.93 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 38 G 8.08 3.82 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 0.00 0.00 0.00 39 S 7.78 4.23 0.00 3.69 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 *41 H 8.77 4.67 0.00 3.18 3.36 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 A 7.66 4.29 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 49 G 8.35 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.62 5.00 0.00 1.84 1.90 0.00 1.34 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 51 V 8.42 4.23 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.75 0.00 0.00 52 N 9.13 4.91 0.00 2.66 2.70 0.00 0.00 7.02 7.57 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 53 V 8.35 4.31 2.26 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 1.43 0.00 0.00 1.08 0.00 0.00 54 Q 8.80 4.45 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 55 D 8.69 4.67 0.00 2.64 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 56 L 9.10 4.88 0.00 1.70 1.68 0.57 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.29 5.57 0.00 3.95 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 58 F 9.05 5.56 0.00 3.30 3.17 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 59 T 9.26 5.04 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 1.19 0.00 0.00 60 K 8.75 5.03 0.00 1.89 2.13 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.43 7.81 61 Y 8.36 4.79 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.42 3.92 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.95 0.00 0.00 63 D 8.90 4.73 0.00 3.10 2.86 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 64 K 8.53 4.11 0.00 1.97 2.01 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.67 7.81 65 S 8.43 4.33 0.00 4.13 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 0.00 66 T 7.81 3.90 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 67 P 0.00 4.42 0.00 2.05 2.14 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 68 N 8.08 4.66 0.00 2.91 2.98 0.00 0.00 6.92 7.85 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 69 L 8.06 4.38 0.00 1.86 1.71 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.80 4.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.30 4.56 0.00 3.09 3.01 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 74 S 8.18 4.31 0.00 3.91 3.92 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 75 S 8.06 4.17 0.00 3.95 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 76 G 8.11 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.69 4.16 0.00 1.64 1.54 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.31 7.81 78 H 8.11 5.11 0.00 3.35 3.26 0.00 5.51 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 8.76 4.59 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.39 0.00 2.11 2.13 0.00 3.72 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 2.16 2.13 0.00 81 Q 8.00 5.13 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 82 A 9.08 5.06 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 83 K 9.00 4.64 0.00 1.61 1.49 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.22 7.81 84 L 8.65 4.61 0.00 1.32 1.04 0.51 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.78 4.78 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 86 I 8.50 4.46 1.29 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.31 0.91 0.00 0.00 87 R 9.04 5.16 0.00 1.93 1.87 0.00 3.31 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 88 K 9.03 4.40 0.00 1.71 1.71 0.00 1.53 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 89 A 8.61 4.07 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 90 G 10.12 3.32 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 91 G 8.37 3.76 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 0.00 0.00 0.00 92 E 8.75 4.10 0.00 2.07 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 2.27 2.26 0.00 93 N 7.91 4.68 0.00 2.74 2.90 0.00 0.00 6.98 7.69 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 94 Q 7.84 4.24 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 95 V 8.12 3.78 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 1.01 0.00 0.00 0.99 0.00 0.00 96 E 8.60 4.92 0.00 2.00 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 2.38 2.33 0.00 97 Y 8.24 4.30 0.00 2.93 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 98 L 7.18 4.99 0.00 1.33 0.95 1.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.66 4.85 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 0.80 0.00 0.00 100 I 8.51 4.66 1.39 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.29 0.00 0.00 101 T 8.72 4.79 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 1.11 0.00 0.00 102 L 8.86 4.86 0.00 1.27 1.08 0.50 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.67 4.82 0.00 1.67 1.67 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.33 7.81 104 E 9.24 3.74 0.00 2.15 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 2.24 2.37 0.00 105 V 9.23 4.99 2.29 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 1.25 0.00 0.00 1.02 0.00 0.00 106 L 9.38 4.99 0.00 1.67 1.61 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.47 4.49 2.28 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 1.11 0.00 0.00 1.18 0.00 0.00 108 S 8.98 4.55 0.00 3.96 4.01 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 0.00 109 S 7.61 4.69 0.00 3.81 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 0.00 110 V 8.29 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 0.82 0.00 0.00 0.95 0.00 0.00 111 S 9.43 4.67 0.00 3.68 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 0.00 112 T 9.67 4.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 113 G 6.66 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 0.00 114 G 7.59 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 0.00 115 S 8.73 4.82 0.00 3.89 3.75 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 0.00 116 G 8.62 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 0.00 117 G 7.89 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 0.00 118 E 7.77 4.19 0.00 2.08 1.94 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 2.37 2.27 0.00 119 D 8.66 4.56 0.00 2.77 2.79 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 0.00 120 R 7.70 4.50 0.00 1.77 1.75 0.00 2.85 0.00 0.00 2.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 121 L 8.48 4.53 0.00 1.66 1.78 0.94 0.65 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 0.00 122 T 8.48 5.32 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 0.00 123 E 9.30 4.97 0.00 2.09 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 2.17 2.22 0.00 124 N 9.04 5.21 0.00 2.55 2.64 0.00 0.00 6.72 7.77 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 0.00 125 V 8.12 4.82 0.73 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 1.16 0.00 0.00 0.68 0.00 0.00 126 T 8.61 5.26 4.33 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 1.24 0.00 0.00 127 L 9.35 5.46 0.00 1.80 1.81 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 128 N 9.36 5.36 0.00 2.96 2.66 0.00 0.00 6.38 7.37 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 0.00 129 F 7.71 5.97 0.00 3.16 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 0.00 130 A 8.92 4.35 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.18 5.32 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 132 V 9.01 4.75 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 1.17 0.00 0.00 0.66 0.00 0.00 133 Q 9.19 4.90 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 134 V 9.28 4.88 2.50 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 1.21 0.00 0.00 1.32 0.00 0.00 135 D 9.24 5.37 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 9.09 5.05 0.00 3.17 2.89 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 0.00 137 Q 8.20 4.61 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 138 P 0.00 4.73 0.00 2.21 2.18 0.00 3.64 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 139 Q 8.37 5.12 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.04 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 140 K 9.44 4.31 0.00 1.95 1.74 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 141 A 8.50 3.97 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 0.00 142 D 8.02 4.52 0.00 2.78 2.79 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 0.00 143 G 8.32 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.08 4.21 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 0.00 145 K 8.67 4.16 0.00 1.65 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 146 D 9.13 4.44 0.00 2.65 2.66 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 0.00 147 G 8.38 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 0.00 0.00 0.00 148 G 8.36 4.04 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 0.00 149 P 0.00 4.64 0.00 2.12 2.08 0.00 3.78 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 2.00 1.97 0.00 150 V 9.34 4.18 2.27 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 1.06 0.00 0.00 1.07 0.00 0.00 151 K 8.79 5.17 0.00 1.84 1.72 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.62 7.81 152 Y 9.24 5.02 0.00 3.11 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 0.00 153 G 8.34 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 W 8.92 5.35 0.00 3.14 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 0.00 155 N 8.56 4.79 0.00 2.56 2.49 0.00 0.00 6.90 7.84 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 0.00 156 I 8.71 4.02 2.14 0.00 0.00 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 1.62 1.05 1.04 0.00 0.00 157 R 8.32 4.04 0.00 1.78 2.09 0.00 3.21 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 158 Q 8.21 4.25 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 159 N 7.92 4.35 0.00 2.94 2.91 0.00 0.00 6.89 6.99 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 0.00 160 V 6.29 3.94 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 0.54 0.00 0.00 0.66 0.00 0.00 161 Q 8.11 4.34 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 162 A 8.53 4.25 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 * Residues marked with a * may have inaccurate shift predictions.