NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 Q 4.3395 8.3449 119.1188 54.8581 30.6504 175.4240 2 V 4.3975 7.7604 111.4910 58.4237 32.1003 173.9633 3 Q 4.3155 8.5093 120.8426 56.0581 31.5262 176.2760 4 L 5.1562 8.5147 121.7496 53.0528 44.2809 175.7778 5 V 4.5520 8.7192 122.9989 61.1963 34.3033 174.1136 6 E 5.4372 8.8063 124.8891 54.9165 33.0927 174.9665 7 S 4.6300 8.9913 118.5618 57.6325 68.1109 174.4135 8 G 4.2111 8.5430 109.1336 44.8545 0.0000 172.1422 9 G 3.6267 7.9553 104.6000 43.5451 0.0000 170.9861 10 G 3.8624 8.0620 103.0013 43.9843 0.0000 172.3503 11 S 5.7420 8.8472 116.5232 55.8578 64.9273 174.4467 12 V 4.5293 8.2134 122.7169 59.7538 35.0919 174.4187 13 Q 4.8884 8.4350 122.1574 54.3495 31.2351 174.4769 14 A 4.1613 7.8353 125.4747 54.1050 18.6341 178.8114 15 G 3.8849 9.4829 110.8196 45.5021 0.0000 173.8842 16 G 3.9524 8.2045 108.2386 45.7682 0.0000 172.4686 17 S 5.3068 8.2650 113.4779 56.6062 65.5347 172.8608 18 L 4.4771 8.6447 125.9333 53.9001 45.9227 174.1094 19 R 4.7714 8.4639 124.5257 54.6422 32.3243 175.0842 20 L 4.9078 8.4916 123.6829 53.0077 44.8480 175.4774 21 S 5.3429 8.8159 115.4669 57.1109 66.6861 171.9300 22 C 5.4557 9.4258 124.2543 55.6071 47.7109 172.5453 23 T 5.1184 8.8666 122.6013 61.6382 71.1356 173.2621 24 A 4.6753 9.3341 130.5965 51.2169 18.9360 177.5587 25 S 4.3831 9.5676 116.7763 60.0801 63.1378 176.1532 26 G 3.9632 8.1607 112.2040 49.4948 0.0000 174.7771 *27 Y 3.5682 7.8923 112.9077 57.2556 33.6282 171.8277 28 T 4.6372 7.6739 122.9894 63.0222 76.4400 175.0951 29 I 4.3225 8.2147 133.6997 61.9921 39.9855 173.3895 30 G 3.7155 8.4344 116.1338 43.3175 0.0000 168.8539 31 P 4.5233 0.0000 0.0000 62.8373 32.3827 175.6713 32 Y 4.2464 9.0105 119.3247 59.9226 39.9123 174.7964 33 C 5.2664 8.0595 114.7142 58.4908 32.9024 173.0997 34 M 5.2364 8.6569 119.0909 54.6136 36.7230 174.4522 35 G 4.1910 8.6725 109.3910 45.7916 0.0000 171.5575 36 W 5.5325 9.3673 119.4128 54.8849 32.4914 175.4450 37 F 5.4201 9.7091 120.6000 55.8786 43.0109 174.0596 38 R 5.4807 9.0249 116.6366 54.1005 33.8117 174.0423 39 Q 4.7632 8.2270 119.2187 55.4467 32.1830 173.9939 40 A 4.7755 8.6537 129.8661 50.5092 19.9452 175.2066 41 P 4.2460 0.0000 0.0000 65.6819 31.3200 178.4791 42 G 3.8740 8.0188 113.8804 45.4052 0.0000 172.8038 43 G 4.4621 7.7610 121.2708 44.9356 0.0000 170.5721 44 E 4.2618 8.2189 122.3324 54.9790 30.5935 176.4147 45 R 4.2000 8.3598 121.3382 56.8571 30.4649 175.2713 46 E 4.8879 9.4153 127.5781 54.4156 32.4874 174.6794 47 A 4.1037 8.5451 125.7547 51.8549 19.6069 175.7726 48 V 4.3184 8.3556 117.0745 63.3321 33.9823 174.9034 49 A 5.1293 7.5475 119.1792 51.0909 22.9843 173.9823 50 A 5.0712 8.9321 120.5455 50.4325 23.0106 175.2848 51 I 4.9028 9.4403 121.7026 59.2877 42.0104 174.2313 52 N 4.9675 9.0313 126.9657 51.9755 39.2423 173.3763 53 M 4.0171 8.1548 125.4940 56.7228 32.8119 173.3854 54 G 3.5077 8.8807 117.6665 48.6638 0.0000 171.3913 55 G 4.0264 8.8368 114.7717 43.7803 0.0000 173.2567 56 G 4.3160 8.1259 105.7521 46.1818 0.0000 173.3138 57 I 3.9169 7.2070 120.4404 61.0706 38.0213 175.5548 58 T 4.7106 7.8977 115.8454 60.3218 71.6961 173.2914 59 Y 4.7109 8.0228 119.2544 56.9196 42.4749 173.8640 60 Y 5.2527 8.5983 120.0891 55.9743 42.1209 175.0642 61 A 4.3884 8.6598 124.4063 51.4416 19.5437 178.8298 62 D 4.1031 8.7719 121.6162 57.0995 41.1003 178.5134 63 S 4.2473 7.9859 112.7125 60.1971 63.5545 175.1261 64 V 3.8139 7.2121 111.4450 60.0439 33.4712 175.3173 65 K 3.7919 8.4151 122.1809 58.0945 32.3166 175.5186 66 G 4.0186 8.7477 113.1584 45.0540 0.0000 173.5602 67 R 4.4757 7.3508 115.4989 57.9180 31.3263 177.4518 68 F 4.7431 8.1261 116.4030 58.1554 40.2608 174.6658 69 T 4.7593 8.6854 117.0811 62.3750 72.6248 172.9714 70 I 5.5618 9.7421 127.7995 59.0060 40.8024 174.1646 71 S 4.6614 8.2843 119.5191 58.2631 65.9457 174.2245 72 R 4.8799 8.5633 119.2743 54.8868 31.1592 176.5858 73 D 4.3801 8.7599 124.6458 53.3790 42.3118 175.2557 74 N 4.2257 9.2726 117.4528 55.2561 39.2472 174.8334 75 A 3.7019 7.4947 117.1469 51.0702 19.4320 176.4363 76 K 3.9459 8.6509 124.1199 58.0995 32.3676 175.8196 77 N 4.3193 8.9505 123.8097 54.8659 35.6376 173.3501 78 T 5.0959 7.7531 114.2901 62.0229 71.1708 174.4185 79 V 5.0101 8.9288 119.4352 59.9465 35.9961 174.8549 80 T 5.2255 9.5564 118.2521 62.0991 72.7489 172.9064 81 L 4.4824 8.4910 129.3038 53.4985 43.7422 175.1752 82 Q 4.4084 9.1932 130.2081 55.0007 30.1183 174.5262 83 M 3.2809 8.3399 128.5737 54.1471 32.7445 175.7015 84 N 5.0452 8.6965 123.1185 51.2615 42.0119 175.1114 *85 S 3.7164 8.5205 113.4193 58.7768 59.8324 172.8030 86 L 4.4525 7.9915 121.7144 55.5126 42.4896 177.3645 87 K 4.9991 8.8847 121.3819 53.7054 35.5004 175.7228 88 P 4.7091 0.0000 0.0000 65.1077 31.4428 178.6975 89 E 3.5730 8.2347 116.4928 58.9644 29.3909 177.3856 90 D 4.7705 8.3049 117.2205 55.2630 41.4139 176.7892 91 T 4.3266 8.7200 118.2989 63.2258 69.0371 173.9554 92 A 4.3284 8.5842 127.1148 52.5489 24.4085 173.9126 93 M 4.7545 7.9578 117.9786 54.7912 33.8355 174.6389 94 Y 5.0196 9.2200 124.6224 56.6767 40.4472 174.1752 95 Y 5.3507 9.8344 123.0247 56.3853 41.0470 174.3890 96 C 4.2877 10.3036 125.0587 56.1250 42.8318 172.1009 97 A 4.8561 8.4397 125.1472 50.2033 22.7338 174.8219 98 A 5.0332 8.7239 121.0331 50.2553 22.7975 174.6360 99 D 4.8320 8.4398 121.1993 52.9236 42.4972 177.0516 100 S 4.5223 9.0701 121.6878 59.0005 63.3223 174.3074 101 T 3.9003 7.5829 118.5655 62.8623 68.3709 175.3754 102 I 4.3860 7.7919 128.4929 59.4708 35.9641 174.2362 103 Y 3.7423 7.4509 120.9497 58.0566 38.1098 176.7259 104 A 4.0961 8.4567 128.3376 55.1591 19.0104 179.1256 105 S 4.6263 7.5912 109.1351 57.2062 65.4491 172.4211 106 Y 4.6631 8.5189 121.2380 57.7241 39.1649 174.4013 107 Y 4.4685 7.8972 126.2701 55.4790 41.7826 174.1987 108 E 4.1536 7.2908 124.6057 53.6349 31.2097 176.8912 109 C 3.6116 7.7339 122.1016 62.1533 28.0923 176.2695 110 G 3.1624 5.3800 106.9165 47.7248 0.0000 174.5767 111 H 4.1420 7.7538 120.8357 58.7937 29.7814 177.1677 112 G 4.2115 8.3132 108.2389 47.2308 0.0000 174.6490 113 L 3.9352 7.7744 121.5911 58.0522 42.0808 178.8327 114 S 4.3198 7.8341 113.5101 61.5863 63.9851 176.9029 115 T 4.3607 8.1882 112.7104 61.5478 67.6177 176.2674 116 G 3.8885 8.4929 107.3936 46.7058 0.0000 174.1677 117 G 4.3480 8.7953 108.7151 45.3247 0.0000 173.0956 *118 Y 4.3026 7.6797 117.1580 59.4392 38.1033 176.2217 119 G 4.1228 9.1873 113.9340 47.2997 0.0000 173.5294 120 Y 4.0667 8.0242 119.2077 57.9447 36.4050 175.1433 121 D 4.8789 8.4074 124.2697 53.9474 40.9278 176.5878 122 S 4.9076 8.1295 116.5503 56.5388 65.9920 173.1912 123 W 5.1277 9.0049 123.3915 54.8803 32.6605 175.5393 124 G 4.1727 8.9434 110.4493 45.5685 0.0000 173.5413 125 Q 4.4220 8.9844 117.4152 56.5058 29.2866 177.3745 126 G 4.3675 11.0019 104.0901 45.2679 0.0000 172.9174 127 T 4.6973 7.8184 114.5695 61.6993 73.1023 173.0415 128 Q 4.6654 8.7613 127.4183 55.8004 30.8485 174.4319 129 V 4.7368 9.0021 125.8853 61.4585 34.8805 174.2028 130 T 4.6728 9.1483 124.7956 61.7503 71.5545 173.6096 131 V 4.7106 8.8336 128.6632 60.9663 31.8524 174.8324 132 S 4.2168 8.4889 123.2402 57.7954 63.9840 174.5350 133 S 4.2493 8.8160 118.7230 58.7147 62.0006 173.8840 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *1 Q 8.34 4.34 0.00 1.81 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.38 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 2 V 7.76 4.40 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 0.89 0.00 0.00 0.94 0.00 0.00 3 Q 8.51 4.32 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 4 L 8.51 5.16 0.00 1.55 1.58 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.72 4.55 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 1.01 0.00 0.00 0.96 0.00 0.00 6 E 8.81 5.44 0.00 1.96 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 2.32 2.40 0.00 7 S 8.99 4.63 0.00 3.75 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 8 G 8.54 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 9 G 7.96 3.63 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 10 G 8.06 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 11 S 8.85 5.74 0.00 3.89 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 12 V 8.21 4.53 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 0.73 0.00 0.00 0.92 0.00 0.00 13 Q 8.43 4.89 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 14 A 7.84 4.16 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 15 G 9.48 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 0.00 0.00 0.00 16 G 8.20 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.26 5.31 0.00 3.78 3.63 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 18 L 8.64 4.48 0.00 1.52 1.16 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.46 4.77 0.00 1.70 1.71 0.00 3.08 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 20 L 8.49 4.91 0.00 0.72 1.18 0.18 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.82 5.34 0.00 3.94 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.43 5.46 0.00 3.10 2.64 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 23 T 8.87 5.12 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 1.25 0.00 0.00 24 A 9.33 4.68 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 25 S 9.57 4.38 0.00 3.84 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 26 G 8.16 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 *27 Y 7.89 3.57 0.00 2.41 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 0.00 0.00 0.00 0.00 28 T 7.67 4.64 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 1.20 0.00 0.00 29 I 8.21 4.32 1.87 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 1.35 0.53 0.91 0.00 0.00 30 G 8.43 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 31 P 0.00 4.52 0.00 2.43 2.09 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 32 Y 9.01 4.25 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 33 C 8.06 5.27 0.00 2.67 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 34 M 8.66 5.24 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 35 G 8.67 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 0.00 0.00 0.00 0.00 36 W 9.37 5.53 0.00 3.44 3.15 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 37 F 9.71 5.42 0.00 3.36 3.22 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 38 R 9.02 5.48 0.00 1.01 0.66 0.00 2.87 0.00 0.00 2.92 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.25 0.00 39 Q 8.23 4.76 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 40 A 8.65 4.78 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 41 P 0.00 4.25 0.00 2.07 2.15 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 42 G 8.02 3.87 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 0.00 0.00 0.00 43 G 7.76 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.22 4.26 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 2.29 2.29 0.00 45 R 8.36 4.20 0.00 1.72 1.78 0.00 2.94 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 46 E 9.42 4.89 0.00 2.08 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 2.23 2.26 0.00 47 A 8.55 4.10 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 48 V 8.36 4.32 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 1.32 0.00 0.00 0.97 0.00 0.00 49 A 7.55 5.13 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 50 A 8.93 5.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 9.44 4.90 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.60 1.07 0.00 0.00 52 N 9.03 4.97 0.00 3.22 2.87 0.00 0.00 7.35 8.51 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 53 M 8.15 4.02 0.00 1.89 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 54 G 8.88 3.51 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 0.00 55 G 8.84 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 56 G 8.13 4.32 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 57 I 7.21 3.92 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.38 0.00 0.00 58 T 7.90 4.71 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 1.20 0.00 0.00 59 Y 8.02 4.71 0.00 2.79 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 60 Y 8.60 5.25 0.00 2.86 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 61 A 8.66 4.39 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 62 D 8.77 4.10 0.00 2.67 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 63 S 7.99 4.25 0.00 3.89 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.21 3.81 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 0.00 0.00 0.20 0.00 0.00 0.96 0.00 0.00 65 K 8.42 3.79 0.00 1.81 1.74 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.43 7.81 66 G 8.75 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 0.00 0.00 0.00 67 R 7.35 4.48 0.00 1.90 2.35 0.00 3.56 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 68 F 8.13 4.74 0.00 2.66 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 69 T 8.69 4.76 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 1.30 0.00 0.00 70 I 9.74 5.56 2.15 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 2.20 0.88 0.00 0.00 71 S 8.28 4.66 0.00 3.92 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 72 R 8.56 4.88 0.00 1.71 1.92 0.00 3.27 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 73 D 8.76 4.38 0.00 2.73 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 74 N 9.27 4.23 0.00 2.76 2.78 0.00 0.00 6.80 7.35 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 75 A 7.49 3.70 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 76 K 8.65 3.95 0.00 1.99 1.78 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.05 7.81 77 N 8.95 4.32 0.00 3.08 2.91 0.00 0.00 6.92 7.05 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 78 T 7.75 5.10 4.40 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 1.27 0.00 0.00 79 V 8.93 5.01 2.33 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 0.86 0.00 0.00 0.84 0.00 0.00 80 T 9.56 5.23 4.31 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 1.25 0.00 0.00 81 L 8.49 4.48 0.00 0.27 0.22 1.18 0.37 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 82 Q 9.19 4.41 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 83 M 8.34 3.28 0.00 0.78 1.45 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.95 0.00 84 N 8.70 5.05 0.00 2.72 2.70 0.00 0.00 7.26 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 *85 S 8.52 3.72 0.00 3.71 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.99 4.45 0.00 1.82 1.64 0.82 0.85 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 87 K 8.88 5.00 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.56 7.81 88 P 0.00 4.71 0.00 2.19 2.12 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 89 E 8.23 3.57 0.00 1.96 2.05 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 2.33 2.42 0.00 90 D 8.30 4.77 0.00 2.97 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 91 T 8.72 4.33 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 1.35 0.00 0.00 92 A 8.58 4.33 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 93 M 7.96 4.75 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.61 0.00 94 Y 9.22 5.02 0.00 3.02 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 95 Y 9.83 5.35 0.00 3.24 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 96 C 10.30 4.29 0.00 2.71 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 97 A 8.44 4.86 0.11 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 98 A 8.72 5.03 1.12 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 99 D 8.44 4.83 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 9.07 4.52 0.00 3.89 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 0.00 101 T 7.58 3.90 3.28 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 0.58 0.00 0.00 102 I 7.79 4.39 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 1.04 0.00 0.00 103 Y 7.45 3.74 0.00 2.55 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 0.00 104 A 8.46 4.10 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 0.00 105 S 7.59 4.63 0.00 4.09 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 0.00 106 Y 8.52 4.66 0.00 2.93 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 0.00 107 Y 7.90 4.47 0.00 2.11 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 0.00 0.00 0.00 108 E 7.29 4.15 0.00 1.69 1.51 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 2.41 1.78 0.00 109 C 7.73 3.61 0.00 2.55 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 0.00 110 G 5.38 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 7.75 4.14 0.00 3.12 3.28 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.31 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 0.00 113 L 7.77 3.94 0.00 1.65 1.79 -0.09 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.83 4.32 0.00 4.03 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 0.00 115 T 8.19 4.36 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 1.14 0.00 0.00 116 G 8.49 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 0.00 117 G 8.80 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 0.00 0.00 0.00 0.00 *118 Y 7.68 4.30 0.00 2.75 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 0.00 119 G 9.19 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 0.00 120 Y 8.02 4.07 0.00 3.10 2.49 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 0.00 121 D 8.41 4.88 0.00 2.69 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 0.00 122 S 8.13 4.91 0.00 3.70 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 0.00 123 W 9.00 5.13 0.00 3.11 3.14 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 0.00 124 G 8.94 4.17 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 0.00 125 Q 8.98 4.42 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 126 G 11.00 4.37 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 0.00 127 T 7.82 4.70 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 1.28 0.00 0.00 128 Q 8.76 4.67 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 129 V 9.00 4.74 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 0.79 0.00 0.00 0.32 0.00 0.00 130 T 9.15 4.67 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 0.00 131 V 8.83 4.71 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 0.97 0.00 0.00 1.00 0.00 0.00 132 S 8.49 4.22 0.00 3.94 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 0.00 133 S 8.82 4.25 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.