NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.1350 8.1885 115.3783 57.6429 64.7117 174.4570 7 A 3.0870 7.9321 121.5784 54.7001 18.0461 178.2083 8 Q 3.6570 8.1464 117.8664 59.0414 29.2264 177.0953 9 A 3.8872 7.4099 121.6268 55.3722 18.3407 179.7982 10 I 3.4812 7.3762 117.9631 64.5483 37.1127 178.6190 11 I 3.5592 7.6130 120.7368 64.2300 36.6798 178.5501 12 R 3.7745 7.7862 119.3270 59.3777 29.8485 178.0965 13 E 3.8212 8.2243 118.4603 58.6470 29.6703 177.3433 14 L 4.1737 7.7226 116.1246 53.7019 42.7088 176.0478 15 G 3.7207 7.2844 106.6197 46.3496 0.0000 174.0786 16 L 4.6125 7.9028 117.6446 54.3479 43.0834 177.9168 17 E 4.9841 9.2377 121.1600 53.5010 33.7853 173.5999 18 P 4.1774 0.0000 0.0000 63.4962 32.1240 175.2882 19 H 4.8966 9.0386 123.5461 53.5633 31.5348 173.6807 20 P 4.3618 0.0000 0.0000 65.6574 31.4499 176.9698 21 E 4.4357 8.4014 113.8844 55.9148 30.2717 175.3120 22 G 4.0595 9.2022 106.4144 45.0703 0.0000 174.8341 23 G 3.9567 8.7449 108.6617 44.5239 0.0000 172.1347 24 F 5.5240 8.7943 116.2830 56.2674 43.1354 174.6571 25 Y 5.6203 9.1598 118.4704 58.2008 42.0199 172.5150 26 H 4.2750 8.5959 114.2464 55.3517 33.0395 173.2033 27 Q 4.5005 8.7462 128.4811 56.9968 28.8600 175.7279 28 T 4.4894 8.7576 122.9540 64.2004 70.3139 174.5471 29 F 4.8418 7.7442 121.3151 57.2663 42.9531 172.9137 30 R 4.4679 7.2183 124.7166 54.3635 32.5330 173.9493 31 D 4.0800 7.9874 127.4100 54.3066 41.1113 176.8408 32 K 3.9853 8.8986 124.8436 58.2497 32.8011 176.8853 33 A 4.5239 9.0101 122.6017 51.6080 20.6043 176.8753 34 G 3.5788 8.1910 106.1328 45.9358 0.0000 174.4156 35 G 3.7471 7.9876 108.0253 44.1639 0.0000 173.7915 36 E 4.0886 8.4910 118.1429 58.5447 29.5890 178.6697 37 R 3.8732 7.8427 115.0647 57.0723 30.2133 177.6300 38 G 3.8906 7.5375 103.3341 45.2702 0.0000 173.8325 39 H 4.5322 8.5099 116.4826 58.7441 29.4303 175.6583 40 S 5.4244 7.8976 110.7587 58.9443 66.0777 174.3739 41 T 5.2728 8.2545 108.5980 60.1864 72.3342 172.5340 42 A 5.2596 9.0605 124.8057 50.7253 22.5969 175.3587 43 I 4.9185 8.0276 119.0908 60.4779 42.6192 173.3322 44 Y 5.1022 8.7828 123.9500 56.9836 39.8897 174.1047 45 Y 5.6225 9.3943 125.1116 55.8293 42.6776 173.7368 46 L 5.1919 8.8346 127.3153 53.2780 46.1982 174.6786 47 L 4.9232 8.4752 125.6380 53.0145 44.3062 176.4832 48 E 4.8142 8.8769 123.5146 54.7816 31.2608 176.2601 49 K 3.9513 8.7193 121.5320 58.1479 32.4811 177.8821 50 G 3.9975 8.7731 112.1483 45.8199 0.0000 173.4721 51 V 4.1333 7.4522 119.9708 60.1449 32.3845 175.6065 52 R 4.6923 8.3954 124.5944 53.9246 31.1318 176.2736 53 S 4.5290 8.5250 118.8406 58.6362 63.5186 174.2873 54 H 4.5245 8.6535 119.8700 55.8770 29.3758 175.3926 55 W 4.8699 9.0219 121.9286 57.6029 29.7455 175.0238 56 H 5.3656 9.6119 118.6781 55.1845 32.1464 172.4911 57 R 4.6735 8.2126 114.5351 54.7835 32.9484 174.3917 58 V 4.2249 8.4753 123.9373 62.5358 31.8254 176.4897 59 T 3.8815 8.7710 120.5734 63.4726 69.3573 175.0524 60 D 5.0274 7.9044 118.9466 52.4066 40.6304 175.2612 61 A 4.7159 7.7842 119.0144 51.0220 23.2278 175.8205 62 V 4.2452 8.3745 119.9767 61.9243 33.3014 174.1529 63 E 5.0528 8.8255 128.7597 54.5173 31.9758 174.3685 64 V 4.8408 9.0501 127.0860 61.0839 34.2714 174.1589 65 W 5.1853 9.0125 127.3659 55.5315 31.7382 174.9647 66 H 5.2342 9.3616 120.6757 53.8898 31.6901 172.3552 67 Y 4.3026 9.0090 126.1608 58.3581 38.8684 173.9415 68 Y 4.9282 8.2511 122.2525 59.1907 40.7789 175.3448 69 A 4.2022 7.3334 117.9850 51.8120 23.1721 176.1591 70 G 3.0910 8.6441 106.1809 43.9502 0.0000 172.8945 71 A 4.3415 7.1337 120.2935 51.0431 19.3594 175.9191 72 P 4.7471 0.0000 0.0000 62.8531 33.4755 174.9653 73 I 4.8818 8.7534 119.8377 59.5428 40.6548 175.4090 74 A 4.8374 8.7432 127.9596 50.4005 20.0646 175.1936 75 L 4.1739 8.7678 124.6988 55.3177 43.6195 175.0134 76 H 5.3634 9.3592 125.0853 54.4478 30.5395 174.2765 77 L 5.6919 9.2147 123.2734 53.3649 45.9566 176.2341 78 S 4.7029 9.2810 117.1162 57.7885 64.6939 174.7246 79 Q 4.0757 9.1638 129.8861 58.6212 29.1292 176.3432 80 D 4.7161 8.2930 115.0867 53.8703 42.0969 177.3801 81 G 4.0323 8.7468 107.7404 45.4589 0.0000 174.6215 82 R 4.0818 7.8795 119.1471 56.4518 31.8141 175.8143 83 E 4.7174 7.9449 115.2991 54.1187 32.1153 175.1888 84 V 4.7659 8.1872 121.2091 60.0597 33.8721 174.6848 85 Q 4.6600 9.1753 123.4977 54.2579 31.7577 174.5045 86 T 4.9660 8.1599 118.9986 61.7822 71.0728 173.5835 87 F 4.9203 9.2780 123.8310 55.9337 43.3476 174.3079 88 T 4.8572 8.4345 117.4117 61.8970 70.8726 173.4596 89 L 4.9841 8.5362 130.8284 54.0192 42.6903 175.4763 90 G 4.1240 7.9950 112.3914 45.0285 0.0000 169.6914 91 P 4.4334 0.0000 0.0000 63.2476 32.6337 176.7637 92 A 4.3150 8.0113 124.7499 51.2049 16.5088 177.7949 93 I 3.8857 7.6338 125.9389 63.3336 37.8014 178.3371 94 L 4.5082 7.7717 116.7068 55.0465 41.1697 177.0030 95 E 4.5600 8.5530 115.9100 55.0477 31.3247 176.3565 96 G 4.0824 7.7118 105.3349 45.6227 0.0000 174.6530 97 E 4.3843 8.0234 119.1736 56.3954 30.4959 175.6889 98 R 4.9802 8.4913 119.6204 54.1489 34.1733 174.1971 99 P 4.6183 0.0000 0.0000 63.9678 32.8515 175.3261 100 Q 5.3767 8.1946 121.2710 53.5572 31.6920 174.0883 101 V 4.3030 8.3690 126.4054 59.8304 34.2657 174.3893 102 I 4.5764 8.2350 126.0744 59.9234 38.7342 175.0990 103 V 4.3289 8.6943 128.4476 60.4729 33.0110 173.6727 104 P 4.8366 0.0000 0.0000 62.0592 32.8774 175.6771 105 A 4.2815 8.4240 122.8268 53.3234 18.5450 177.5096 106 N 4.0965 8.8248 119.3678 53.8028 38.4488 173.2879 107 C 4.4922 7.7078 117.4690 58.7536 32.4612 173.4978 108 W 4.7527 9.2822 126.9342 57.2531 30.1588 175.1221 109 Q 5.3602 9.5543 120.0810 55.4785 32.0877 173.4229 110 S 4.7453 8.5615 112.7421 57.6121 66.3526 173.3849 111 A 5.2466 9.1834 126.6297 50.5185 23.2245 174.6018 112 E 5.0264 8.2955 115.0797 55.1177 32.9528 174.3353 113 S 4.5725 8.6554 117.4411 58.3269 63.0037 173.7470 114 L 4.2804 8.8978 126.2554 55.7522 41.7252 177.2153 115 G 4.0352 7.7255 108.7044 44.6070 0.0000 172.3468 116 D 4.5393 8.8890 118.6312 57.3964 41.3400 176.0776 117 F 5.1029 7.2595 110.8301 56.6670 41.1464 173.4812 118 T 4.8977 8.6882 116.0250 62.2208 73.1439 172.5416 119 L 4.9762 9.1704 129.5010 53.8146 43.9900 175.5783 120 V 4.6235 9.2481 119.6000 59.3583 36.2912 174.4779 121 G 4.4481 8.2998 107.1391 43.7343 0.0000 171.9309 122 C 5.3024 8.8399 118.8642 57.8234 32.4067 173.1313 123 T 5.4599 8.6654 113.7738 59.1450 71.2767 173.3898 124 V 5.1351 7.7997 122.6517 60.4029 36.0840 174.2752 125 S 4.8734 8.4923 114.1376 56.9693 66.0685 174.6624 126 P 4.4097 0.0000 0.0000 62.9203 31.3939 176.1303 127 G 4.0526 8.2622 108.2758 45.6923 0.0000 173.1431 128 F 3.9306 9.0737 126.0601 58.2234 39.9389 174.6058 129 A 4.3238 7.1210 129.1259 50.1449 20.9614 176.4626 130 F 3.4639 8.7710 122.6672 60.5549 39.1525 177.2275 131 S 4.5835 7.9205 112.8780 59.1512 63.3632 174.3549 132 S 4.6436 8.7162 117.4468 58.2659 64.5332 172.6930 133 F 4.9002 7.7722 123.0963 56.9537 40.6469 175.0593 134 V 4.2707 7.2200 124.1596 61.2971 35.4956 173.5946 *136 A 4.1548 8.4225 122.6533 51.4360 19.5191 176.3144 137 E 4.0701 8.0423 119.0168 55.4643 30.1007 175.3046 138 P 4.5109 0.0000 0.0000 64.0841 31.6226 176.2401 139 G 4.1114 9.1654 110.5516 45.2613 0.0000 173.6460 140 W 4.3976 8.0347 129.7720 56.9311 31.5480 175.4269 141 S 3.4403 6.8136 116.1483 55.5770 64.9128 171.9948 142 P 3.6000 0.0000 0.0000 64.6475 30.6585 176.1494 143 G 3.7151 8.1064 111.1781 45.3536 0.0000 172.5178 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 6 S 8.19 4.13 0.00 3.89 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 7 A 7.93 3.09 1.14 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 0.00 0.00 0.00 8 Q 8.15 3.66 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 9 A 7.41 3.89 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 10 I 7.38 3.48 1.73 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.77 0.00 0.00 11 I 7.61 3.56 1.77 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.48 0.77 0.00 0.00 12 R 7.79 3.77 0.00 1.80 1.97 0.00 3.03 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 13 E 8.22 3.82 0.00 1.88 1.84 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 2.23 2.23 0.00 14 L 7.72 4.17 0.00 1.59 1.45 0.30 0.44 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 15 G 7.28 3.72 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 0.00 0.00 0.00 16 L 7.90 4.61 0.00 1.56 1.80 0.94 0.67 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 17 E 9.24 4.98 0.00 1.73 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 2.21 2.20 0.00 18 P 0.00 4.18 0.00 1.84 1.73 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 19 H 9.04 4.90 0.00 3.26 3.48 0.00 5.62 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 20 P 0.00 4.36 0.00 2.06 2.13 0.00 3.02 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 21 E 8.40 4.44 0.00 2.30 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 2.34 2.38 0.00 22 G 9.20 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.74 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 0.00 0.00 0.00 24 F 8.79 5.52 0.00 2.95 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 25 Y 9.16 5.62 0.00 3.41 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 26 H 8.60 4.28 0.00 3.15 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.75 4.50 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 28 T 8.76 4.49 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 1.20 0.00 0.00 29 F 7.74 4.84 0.00 3.03 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 30 R 7.22 4.47 0.00 1.62 1.50 0.00 3.22 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 31 D 7.99 4.08 0.00 2.82 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 32 K 8.90 3.99 0.00 1.79 1.83 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81 33 A 9.01 4.52 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 34 G 8.19 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 35 G 7.99 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 0.00 0.00 0.00 36 E 8.49 4.09 0.00 1.89 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 2.26 2.33 0.00 37 R 7.84 3.87 0.00 1.98 2.13 0.00 2.97 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 38 G 7.54 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 39 H 8.51 4.53 0.00 3.30 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.90 5.42 0.00 4.02 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 0.00 41 T 8.25 5.27 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 42 A 9.06 5.26 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 43 I 8.03 4.92 1.89 0.00 0.00 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 1.58 0.45 0.86 0.00 0.00 44 Y 8.78 5.10 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 45 Y 9.39 5.62 0.00 2.78 2.63 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 46 L 8.83 5.19 0.00 1.69 1.45 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.48 4.92 0.00 1.66 1.57 1.22 0.98 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 48 E 8.88 4.81 0.00 1.95 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 2.25 2.34 0.00 49 K 8.72 3.95 0.00 1.92 1.74 0.00 2.09 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.48 7.81 50 G 8.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.45 4.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 52 R 8.40 4.69 0.00 1.76 1.88 0.00 3.29 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 53 S 8.53 4.53 0.00 4.14 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.65 4.52 0.00 3.28 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 9.02 4.87 0.00 3.32 3.25 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 0.00 56 H 9.61 5.37 0.00 2.85 3.43 0.00 5.27 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.21 4.67 0.00 1.51 1.28 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 58 V 8.48 4.22 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 1.15 0.00 0.00 1.24 0.00 0.00 59 T 8.77 3.88 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 1.08 0.00 0.00 60 D 7.90 5.03 0.00 2.60 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 61 A 7.78 4.72 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 62 V 8.37 4.25 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 1.05 0.00 0.00 0.94 0.00 0.00 63 E 8.83 5.05 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 64 V 9.05 4.84 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 65 W 9.01 5.19 0.00 3.23 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.36 5.23 0.00 2.66 3.18 0.00 5.81 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 9.01 4.30 0.00 3.04 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 68 Y 8.25 4.93 0.00 3.05 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.33 4.20 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 70 G 8.64 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 0.00 0.00 0.00 71 A 7.13 4.34 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 72 P 0.00 4.75 0.00 2.08 2.09 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 73 I 8.75 4.88 1.98 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.83 0.00 0.00 74 A 8.74 4.84 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 75 L 8.77 4.17 0.00 1.39 1.42 -0.15 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.36 5.36 0.00 2.79 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.21 5.69 0.00 1.84 1.74 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.28 4.70 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.16 4.08 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 80 D 8.29 4.72 0.00 2.73 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 81 G 8.75 4.03 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 82 R 7.88 4.08 0.00 1.73 1.90 0.00 3.17 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 83 E 7.94 4.72 0.00 1.94 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 2.19 2.28 0.00 84 V 8.19 4.77 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 0.75 0.00 0.00 1.22 0.00 0.00 85 Q 9.18 4.66 0.00 1.92 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 86 T 8.16 4.97 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 1.12 0.00 0.00 87 F 9.28 4.92 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.43 4.86 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 89 L 8.54 4.98 0.00 1.70 1.62 1.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.99 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 91 P 0.00 4.43 0.00 2.10 1.96 0.00 3.37 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 1.61 0.00 92 A 8.01 4.32 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 93 I 7.63 3.89 1.86 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 1.43 1.40 0.91 0.00 0.00 94 L 7.77 4.51 0.00 1.62 1.67 0.92 0.81 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 95 E 8.55 4.56 0.00 1.99 1.88 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 2.20 2.24 0.00 96 G 7.71 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 97 E 8.02 4.38 0.00 1.98 1.88 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 2.35 2.38 0.00 98 R 8.49 4.98 0.00 1.68 1.75 0.00 3.28 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 99 P 0.00 4.62 0.00 2.25 2.41 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 100 Q 8.19 5.38 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 101 V 8.37 4.30 1.88 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 0.68 0.00 0.00 0.47 0.00 0.00 102 I 8.23 4.58 1.82 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 1.22 0.55 0.91 0.00 0.00 103 V 8.69 4.33 2.34 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 1.06 0.00 0.00 1.01 0.00 0.00 104 P 0.00 4.84 0.00 2.17 2.17 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.00 0.00 105 A 8.42 4.28 1.25 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 0.00 0.00 0.00 106 N 8.82 4.10 0.00 2.90 2.88 0.00 0.00 7.14 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 0.00 107 C 7.71 4.49 0.00 3.40 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 0.00 108 W 9.28 4.75 0.00 3.69 3.54 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 0.00 109 Q 9.55 5.36 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.17 0.00 110 S 8.56 4.75 0.00 2.72 2.63 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 0.00 111 A 9.18 5.25 1.08 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 0.00 112 E 8.30 5.03 0.00 2.03 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 2.31 2.32 0.00 113 S 8.66 4.57 0.00 3.96 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 0.00 114 L 8.90 4.28 0.00 1.64 1.68 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.73 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 0.00 116 D 8.89 4.54 0.00 2.78 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 0.00 117 F 7.26 5.10 0.00 3.01 3.08 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 0.00 118 T 8.69 4.90 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 1.40 0.00 0.00 119 L 9.17 4.98 0.00 1.90 1.66 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 V 9.25 4.62 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.13 0.00 0.00 121 G 8.30 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 0.00 122 C 8.84 5.30 0.00 2.45 2.42 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 0.00 0.00 0.00 0.00 123 T 8.67 5.46 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 1.17 0.00 0.00 124 V 7.80 5.14 2.15 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 1.53 0.00 0.00 0.94 0.00 0.00 125 S 8.49 4.87 0.00 3.76 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 0.00 126 P 0.00 4.41 0.00 2.02 2.08 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 127 G 8.26 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 0.00 128 F 9.07 3.93 0.00 2.86 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 0.00 129 A 7.12 4.32 1.05 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 0.00 130 F 8.77 3.46 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.92 4.58 0.00 3.97 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 0.00 132 S 8.72 4.64 0.00 3.56 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 0.00 133 F 7.77 4.90 0.00 2.73 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 0.00 134 V 7.22 4.27 1.74 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 0.81 0.00 0.00 0.79 0.00 0.00 *136 A 8.42 4.15 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.07 0.00 2.03 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 0.00 2.30 2.26 0.00 138 P 0.00 4.51 0.00 2.10 2.08 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 139 G 9.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 W 8.03 4.40 0.00 3.21 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 0.00 141 S 6.81 3.44 0.00 3.63 3.74 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 0.00 142 P 0.00 3.60 0.00 1.82 1.63 0.00 2.60 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 1.60 1.01 0.00 143 G 8.11 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.