NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2529 8.2531 123.5660 52.3145 20.8915 178.0358 16 G 3.6178 7.9893 103.8427 48.3484 0.0000 173.2343 17 I 3.6296 7.9529 121.7299 63.3455 38.3474 175.8094 18 T 3.8590 7.7420 116.8110 62.4478 68.8399 174.6054 19 G 3.6167 6.9760 113.1658 45.6002 0.0000 170.0043 20 T 4.7160 7.4785 116.2747 61.5104 70.4505 174.2536 21 W 5.1609 8.9020 125.2598 55.1068 33.8842 173.8869 22 Y 5.5258 9.9033 118.9454 56.6628 42.1032 175.2993 23 N 5.4793 8.9083 120.4574 50.5473 40.0043 175.5488 24 Q 4.0840 8.6225 115.7434 59.3281 28.7353 177.6022 25 L 4.0587 8.0113 117.4199 56.0404 41.9502 177.7912 26 G 4.0791 8.1074 106.0361 44.9477 0.0000 173.7776 27 S 4.5724 8.4402 115.9390 58.7395 64.4520 173.2288 28 T 4.8664 8.9536 119.1053 61.7213 71.3504 172.9249 29 F 5.0742 9.1864 129.5090 56.6283 41.6058 174.0962 30 I 4.5624 8.4565 128.9801 59.6511 38.6624 175.4922 31 V 4.5531 8.2252 126.6067 59.8456 35.1553 174.6165 32 T 4.6902 8.7681 118.6619 61.7185 71.4524 172.7637 33 A 4.8372 8.5395 129.3419 50.1742 19.9685 177.3177 34 G 3.7932 9.2832 112.4330 45.1580 0.0000 174.4128 35 A 4.0983 8.5214 123.6571 54.6226 18.5470 178.5789 36 D 4.4195 7.8918 113.1718 53.6316 40.2772 177.0231 37 G 3.4510 7.8937 108.3267 44.8748 0.0000 173.0206 38 A 4.7771 8.2877 121.8973 51.0408 20.6321 176.6981 39 L 5.2780 8.7991 120.9975 53.1688 44.7078 175.9090 40 T 4.7934 9.3013 112.7661 59.5719 72.7350 174.5520 41 G 3.6939 7.0106 108.2854 46.5281 0.0000 170.9892 42 T 5.2581 7.8394 114.2837 60.5105 71.6360 173.5127 43 Y 5.0637 9.4416 127.9304 55.7438 42.3042 173.5123 44 E 5.3073 9.0674 127.9707 54.6253 31.9448 174.8139 45 S 5.0691 9.3342 121.6941 57.5675 63.8086 173.4713 46 A 4.6936 8.3897 126.1356 51.9660 19.2395 176.5249 47 V 4.2577 7.7681 109.3588 61.4737 36.1265 175.0350 48 G 3.5893 8.3058 109.8458 44.8147 0.0000 173.3113 49 N 4.5152 8.2783 114.5505 53.1581 37.2496 174.5182 50 A 4.7279 7.1790 121.6962 50.5712 21.5249 177.0744 51 E 5.1354 8.6795 116.2421 59.2793 31.9847 176.4024 52 S 4.2167 8.9447 119.0093 56.8048 61.8582 167.7968 53 R 5.0076 8.0248 116.2006 55.3961 32.2363 175.3985 54 Y 4.8540 9.2554 118.2049 56.1013 42.2834 175.1358 55 V 4.4967 8.5474 121.8388 62.6824 32.5131 175.0092 56 L 5.3219 8.7618 126.1326 53.3945 44.3409 175.0108 57 T 4.8301 8.3405 112.8997 61.3630 71.4011 172.9602 58 G 4.7829 8.6147 112.6523 46.2343 0.0000 171.7502 59 R 5.6196 8.8323 117.4361 55.2122 34.9650 174.0082 60 Y 5.2343 8.3626 117.8402 55.9745 41.6396 174.2168 61 D 4.3882 9.0327 120.7854 53.7033 40.7733 176.6894 62 S 4.3852 8.1752 120.5641 58.7247 63.9586 174.6655 63 A 4.6655 8.0344 123.5050 50.2173 18.8761 173.7330 64 P 4.8652 0.0000 0.0000 61.1703 32.0660 176.2911 65 A 3.9518 7.7165 122.1796 54.3111 18.8709 178.7079 *69 S 4.4475 8.1307 111.0008 57.3304 64.5490 174.9713 70 G 4.2146 7.8139 104.4855 45.9316 0.0000 172.4669 71 T 4.8229 8.8839 116.8182 61.4576 70.3816 174.6829 72 A 4.8072 8.7000 129.3234 52.2392 20.0292 175.8633 73 L 4.8754 8.7357 120.3520 55.4964 44.6821 173.8915 74 G 4.6120 9.1474 104.2316 45.8461 0.0000 172.4360 75 W 5.7579 8.4616 117.2781 55.7367 32.1031 173.3853 76 T 5.2365 9.2464 116.5247 61.8327 72.4363 173.3653 77 V 4.3426 8.5445 123.6789 60.9983 34.5510 173.9092 78 A 4.5572 8.3562 129.5818 49.5884 20.2992 177.9022 79 W 4.2673 8.5854 125.5376 55.7185 28.0859 176.3511 80 K 5.2866 7.8700 118.2630 54.6993 35.1839 174.5625 81 N 4.9862 8.9346 123.7415 52.0437 39.4562 173.6371 82 N 4.3342 8.6748 113.5370 55.7802 38.9668 175.2749 83 Y 4.5561 8.2347 115.4995 58.9973 39.4987 175.6760 84 R 4.7048 7.8823 113.5997 55.1788 32.4214 173.4490 85 N 5.1764 8.4362 116.5000 52.7309 40.8559 173.7466 86 A 4.3500 8.9131 128.5602 51.9951 20.0506 176.1226 87 H 4.1227 8.4344 113.6096 55.6459 26.7688 172.7643 88 S 5.1130 7.4003 112.2345 58.2775 66.7369 175.1193 89 A 4.8922 8.7890 120.2450 51.0660 22.8457 175.4014 90 T 4.8874 8.3764 117.1430 61.6840 72.0594 173.3281 91 T 4.9109 8.3345 115.0784 59.5903 71.9577 172.7320 92 W 5.0029 8.8688 124.7126 54.7620 32.1855 174.5663 93 S 4.9660 8.7861 118.9251 56.8006 65.0411 172.8682 94 G 4.5719 8.5515 113.3159 46.5973 0.0000 171.7805 95 Q 5.3295 8.5316 118.4128 54.8687 32.7520 173.5774 96 Y 4.9728 9.0457 122.6664 56.4265 40.9944 174.4143 97 V 4.2087 8.4004 126.2126 61.1140 34.4889 175.4270 98 G 3.8991 8.2110 116.1131 44.8058 0.0000 170.0322 99 G 3.8578 8.8580 104.2890 43.7887 0.0000 173.0499 100 A 4.1649 8.8035 122.0871 54.6290 18.5289 178.2167 101 E 4.6192 7.6860 112.3868 53.7157 29.1924 174.9324 102 A 4.5008 7.9309 126.5832 53.4656 19.8036 177.2350 103 R 5.2544 9.1949 118.3136 55.0684 35.7259 174.3335 104 I 4.9535 8.7678 122.2858 59.8963 40.0362 174.2627 105 N 5.4611 9.1812 125.9745 51.9694 40.4576 174.6253 106 T 5.3209 9.2616 113.2464 60.1568 73.0759 172.6599 107 Q 5.1718 8.9971 120.6574 53.8930 32.5895 174.7572 108 W 5.4348 8.4455 118.2194 54.7344 32.3881 173.8091 109 L 5.2569 8.6458 120.0113 52.8957 45.0474 175.2861 110 L 4.9578 9.2395 125.9829 53.7523 44.5928 174.8722 111 T 5.0294 8.7690 123.7518 62.0346 70.8909 174.0095 112 S 5.1494 8.5972 122.1788 56.7056 65.1008 174.2869 113 G 3.9136 8.8444 111.8651 46.4173 0.0000 173.1286 114 T 4.8005 8.3040 114.1597 59.5022 72.5709 173.2014 115 T 4.1795 8.0416 111.7956 60.9759 69.7766 175.3900 116 E 4.0211 8.7009 120.7965 59.3919 29.1225 179.3670 117 A 4.2274 7.5932 119.5583 54.0001 18.7556 178.1920 118 N 4.7501 7.9181 112.4655 52.8695 39.4701 176.2574 119 A 4.0758 7.9535 125.3363 54.2121 18.1719 179.7585 120 W 4.3126 8.2924 114.2428 58.2936 28.3498 176.5960 121 K 4.1588 6.9557 119.0265 56.0544 32.3270 176.8628 122 S 4.3319 7.6354 114.3531 60.1241 63.8803 173.1393 123 T 5.0557 7.5198 117.8266 61.8793 70.7835 173.4624 124 L 4.7406 8.9522 127.1457 53.5164 43.9661 176.0885 125 V 4.4428 7.8303 120.3846 60.3046 34.5393 174.9296 126 G 3.0276 6.5718 108.2491 45.5609 0.0000 171.1313 127 H 5.4288 8.0210 113.9825 53.9031 31.5948 172.6879 128 D 5.2563 9.3238 119.8999 52.9834 45.3142 174.5042 129 T 5.0650 8.9501 118.4519 61.9337 71.5126 173.0435 130 F 5.4365 9.6182 125.9151 56.2117 41.7380 175.0363 131 T 5.4694 9.3256 112.0308 60.2999 72.7615 174.3543 132 K 4.2144 8.8563 118.9236 56.7122 32.4471 177.5528 133 V 3.8910 7.5327 124.1640 62.9647 31.3577 175.3466 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 15 A 8.25 4.25 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 16 G 7.99 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.63 1.29 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.34 0.45 0.00 0.00 18 T 7.74 3.86 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 1.09 0.00 0.00 19 G 6.98 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.48 4.72 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 21 W 8.90 5.16 0.00 3.31 3.34 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 22 Y 9.90 5.53 0.00 2.99 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 23 N 8.91 5.48 0.00 2.46 1.76 0.00 0.00 6.62 6.50 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 24 Q 8.62 4.08 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.16 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.01 4.06 0.00 1.89 1.82 0.95 1.02 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 26 G 8.11 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 0.00 0.00 0.00 27 S 8.44 4.57 0.00 4.11 3.80 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 28 T 8.95 4.87 4.19 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 1.01 0.00 0.00 29 F 9.19 5.07 0.00 2.72 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 30 I 8.46 4.56 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.37 0.76 0.00 0.00 31 V 8.23 4.55 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.52 0.00 0.00 32 T 8.77 4.69 4.14 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 0.00 0.00 0.00 1.14 0.00 0.00 33 A 8.54 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.28 3.79 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 0.00 35 A 8.52 4.10 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 36 D 7.89 4.42 0.00 2.77 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 37 G 7.89 3.45 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 38 A 8.29 4.78 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 39 L 8.80 5.28 0.00 1.65 1.49 1.04 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.30 4.79 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 1.21 0.00 0.00 41 G 7.01 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 0.00 0.00 0.00 42 T 7.84 5.26 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 1.22 0.00 0.00 43 Y 9.44 5.06 0.00 3.07 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 44 E 9.07 5.31 0.00 2.09 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 2.28 2.46 0.00 45 S 9.33 5.07 0.00 4.42 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 46 A 8.39 4.69 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 47 V 7.77 4.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.85 0.00 0.00 48 G 8.31 3.59 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 49 N 8.28 4.52 0.00 2.62 2.68 0.00 0.00 6.73 7.96 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 50 A 7.18 4.73 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 51 E 8.68 5.14 0.00 2.01 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 1.98 0.00 52 S 8.94 4.22 0.00 3.73 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 53 R 8.02 5.01 0.00 1.73 1.88 0.00 3.24 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 54 Y 9.26 4.85 0.00 2.93 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 55 V 8.55 4.50 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 56 L 8.76 5.32 0.00 2.05 1.80 0.84 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.34 4.83 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 58 G 8.61 4.78 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 59 R 8.83 5.62 0.00 1.77 1.80 0.00 3.35 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.36 5.23 0.00 3.10 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 61 D 9.03 4.39 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.18 4.39 0.00 3.95 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 63 A 8.03 4.67 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 64 P 0.00 4.87 0.00 2.27 2.19 0.00 3.43 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 65 A 7.72 3.95 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 *69 S 8.13 4.45 0.00 3.89 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 70 G 7.81 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 71 T 8.88 4.82 4.57 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 1.49 0.00 0.00 72 A 8.70 4.81 1.31 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 0.00 0.00 73 L 8.74 4.88 0.00 2.06 1.95 0.93 0.62 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 74 G 9.15 4.61 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 0.00 0.00 0.00 75 W 8.46 5.76 0.00 3.51 3.26 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 0.00 76 T 9.25 5.24 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 77 V 8.54 4.34 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 -0.34 0.00 0.00 0.76 0.00 0.00 78 A 8.36 4.56 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 79 W 8.59 4.27 0.00 3.26 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 80 K 7.87 5.29 0.00 1.90 1.73 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.46 7.81 81 N 8.93 4.99 0.00 2.66 2.53 0.00 0.00 7.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.67 4.33 0.00 1.96 2.34 0.00 0.00 6.67 7.46 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 83 Y 8.23 4.56 0.00 3.11 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 84 R 7.88 4.70 0.00 2.04 2.09 0.00 3.19 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 85 N 8.44 5.18 0.00 2.68 2.65 0.00 0.00 6.91 7.96 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 86 A 8.91 4.35 1.26 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 0.00 0.00 0.00 87 H 8.43 4.12 0.00 3.35 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.40 5.11 0.00 4.02 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 89 A 8.79 4.89 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 90 T 8.38 4.89 3.44 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 -0.45 0.00 0.00 91 T 8.33 4.91 4.15 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 1.14 0.00 0.00 92 W 8.87 5.00 0.00 1.78 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 0.00 0.00 0.00 93 S 8.79 4.97 0.00 3.81 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.55 4.57 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 95 Q 8.53 5.33 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.05 4.97 0.00 3.00 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 97 V 8.40 4.21 2.00 0.00 0.00 0.00 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 0.91 0.00 0.00 98 G 8.21 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 99 G 8.86 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 0.00 0.00 0.00 100 A 8.80 4.16 1.31 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 0.00 0.00 101 E 7.69 4.62 0.00 2.08 1.97 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 2.18 2.31 0.00 102 A 7.93 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.19 5.25 0.00 1.80 1.86 0.00 3.16 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 104 I 8.77 4.95 1.88 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.33 1.10 0.00 0.00 105 N 9.18 5.46 0.00 2.71 2.81 0.00 0.00 6.08 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 9.26 5.32 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 1.43 0.00 0.00 107 Q 9.00 5.17 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 108 W 8.45 5.43 0.00 2.64 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 0.00 0.00 0.00 0.00 109 L 8.65 5.26 0.00 1.53 1.53 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.24 4.96 0.00 1.58 1.66 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.77 5.03 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 1.19 0.00 0.00 112 S 8.60 5.15 0.00 3.71 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 0.00 113 G 8.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.30 4.80 4.19 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 1.18 0.00 0.00 115 T 8.04 4.18 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 0.00 116 E 8.70 4.02 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 117 A 7.59 4.23 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 0.00 118 N 7.92 4.75 0.00 2.70 2.68 0.00 0.00 6.70 6.70 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 0.00 119 A 7.95 4.08 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 0.00 120 W 8.29 4.31 0.00 3.63 3.26 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 0.00 121 K 6.96 4.16 0.00 1.23 0.74 0.00 1.09 0.00 0.00 1.31 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.21 7.81 122 S 7.64 4.33 0.00 4.09 4.09 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 0.00 123 T 7.52 5.06 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 1.18 0.00 0.00 124 L 8.95 4.74 0.00 1.77 1.74 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.83 4.44 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 0.55 0.00 0.00 0.70 0.00 0.00 126 G 6.57 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.02 5.43 0.00 3.17 3.11 0.00 5.67 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 0.00 128 D 9.32 5.26 0.00 3.05 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 0.00 129 T 8.95 5.06 4.30 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 1.39 0.00 0.00 130 F 9.62 5.44 0.00 2.97 3.24 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 0.00 131 T 9.33 5.47 4.44 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 1.40 0.00 0.00 132 K 8.86 4.21 0.00 1.54 1.68 0.00 0.85 0.00 0.00 1.21 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 0.21 7.81 133 V 7.53 3.89 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 0.70 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.