NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4059 8.1733 120.1385 56.2662 35.6440 175.1578 3 I 4.7988 7.6065 121.2246 58.2627 40.4694 172.9405 4 A 5.0120 8.9677 128.2091 50.0233 22.5688 174.7279 5 V 4.3160 8.7449 123.0458 61.3370 33.4429 175.0952 6 I 4.3263 8.4445 131.1129 60.0805 37.8666 174.3851 7 N 4.8427 8.9465 128.2224 52.5972 39.6324 175.2478 8 G 3.9721 9.4035 113.7373 45.0919 0.0000 173.9351 9 G 4.2982 8.0000 110.5448 45.3809 0.0000 177.2195 10 T 4.3441 8.4082 125.7711 60.9935 70.3888 172.3349 11 R 3.8933 8.5210 128.3788 57.3575 29.1406 176.0523 12 S 4.5637 8.7588 120.4561 57.7416 63.4747 176.8311 13 G 4.0721 8.7421 105.8298 47.6520 0.0000 175.2992 14 G 3.8862 7.3298 106.4831 43.6944 0.0000 174.5577 15 N 4.3528 8.6669 117.4166 56.6796 38.2874 177.9477 16 T 3.8681 7.8418 116.5166 66.5079 68.5740 175.9753 17 D 4.3826 8.1141 119.4948 57.4470 41.2742 178.3461 18 V 3.5649 7.9157 118.5978 66.0484 31.4258 177.7650 19 L 3.9755 8.2056 119.9506 58.0530 41.8833 178.8026 20 A 3.9937 8.3006 121.0324 55.0649 18.1267 179.4693 21 E 3.9877 8.4467 117.4680 59.2729 29.2344 179.4366 22 K 3.9408 7.8404 118.9658 59.4609 32.3318 178.4534 23 A 4.8594 7.5277 121.5580 54.1423 18.4625 179.0361 24 V 4.0092 7.4868 108.8184 60.0090 31.8734 175.6586 25 Q 4.1430 7.2827 121.3925 57.7196 29.1454 176.9585 26 G 3.9177 9.0808 113.3329 45.4994 0.0000 173.6584 27 F 4.2838 8.3918 117.0836 56.8759 40.2901 175.1280 28 D 4.2572 8.1697 118.7038 55.1935 38.8822 172.0628 29 A 4.4425 7.5005 120.9589 51.7064 20.6555 177.8163 30 E 4.3832 9.0231 119.3943 55.5790 31.3277 175.3007 31 H 4.8833 8.7225 121.7989 54.3088 30.4655 174.3239 32 I 4.2242 8.4594 125.4774 59.7252 39.2694 174.4618 33 Y 4.8270 8.4288 125.6883 56.4828 38.2679 175.8253 34 L 3.9461 8.6292 125.8966 57.4248 42.1535 178.7628 35 Q 4.2033 7.8015 120.7638 54.6972 27.5341 174.6595 *58 D 4.6298 7.7758 117.5740 52.7416 41.7688 177.7747 59 Y 4.2081 8.5002 122.1782 61.9689 38.5973 177.7218 60 D 4.4021 8.3983 118.9898 57.6333 40.9031 178.9337 61 S 4.2193 8.1129 115.1520 61.4649 62.8194 176.6209 62 I 3.6712 7.7746 122.5722 64.4366 36.8757 178.4377 63 I 3.5682 7.5540 120.6126 64.3208 36.5955 178.0069 64 E 4.1287 8.1069 118.8675 59.4900 29.6223 178.8627 65 R 4.1048 8.2882 118.4282 59.2594 30.0909 179.1428 66 I 3.7713 8.0606 113.0907 63.8462 37.4011 178.1573 67 L 4.0232 7.8549 119.7677 57.0391 41.4843 178.3674 68 Q 4.3433 7.6617 115.8763 55.3032 29.3703 175.0318 69 C 4.8157 7.6030 118.8466 58.0912 30.6040 173.5600 70 H 4.5287 8.8548 123.9508 58.2284 30.9157 174.8590 71 I 5.0191 7.7417 118.7578 59.2311 40.1392 174.6646 72 L 4.9869 8.9502 126.4439 52.9215 44.9983 175.3953 73 I 4.8119 8.6334 125.3823 59.6454 39.5412 175.0115 74 F 4.7243 9.5791 127.9403 56.4814 40.1403 174.8279 75 A 5.2633 8.9219 127.2629 50.3756 21.2151 175.1292 76 T 4.9362 8.9197 117.2289 59.7685 71.2818 171.6438 77 P 4.8800 0.0000 0.0000 62.2618 32.7149 175.4628 78 I 4.4092 8.3321 122.5566 60.4233 38.1956 175.0868 79 Y 4.7498 8.5780 125.4126 57.1077 40.2471 176.2267 80 W 3.3982 8.8743 125.5565 58.1198 26.7165 174.3626 81 F 3.9129 7.5101 109.1324 58.1679 36.8483 175.9537 82 G 4.0128 7.8492 109.6760 45.0475 0.0000 172.4573 83 M 4.4777 8.2933 120.1291 54.1809 33.4948 176.4855 84 S 4.2951 8.2810 114.9544 58.1208 65.0979 175.4875 85 G 3.7060 8.8859 109.5575 48.2007 0.0000 176.1434 86 T 3.9345 7.9762 117.5495 66.6069 68.5030 176.3188 87 L 4.1492 8.2477 122.3391 57.8264 41.9853 178.8773 88 K 3.8208 8.2121 119.8406 59.5004 32.1822 178.8962 89 L 3.9432 8.2463 119.4350 57.4156 41.2171 179.2995 90 F 4.3007 7.9031 119.9177 61.5659 39.6984 176.9920 91 I 2.0042 7.8550 119.5552 63.8101 36.7668 178.1069 92 D 4.1747 8.0588 120.0014 57.2922 40.6697 178.4477 93 R 3.9799 7.6324 117.2614 57.6814 29.9160 178.1365 94 W 4.3721 8.2195 118.7976 60.2371 28.7379 178.2734 95 S 4.2344 7.9183 114.8239 61.5436 62.4582 176.2930 96 Q 4.1576 8.1551 120.9209 59.2256 28.5598 178.6926 97 T 3.8857 7.7395 116.2100 66.2660 68.2356 176.2543 98 L 4.4794 8.1834 119.8567 56.5124 41.6284 177.7953 99 R 4.5938 7.5664 115.9658 55.4683 31.6495 174.4964 100 D 4.6609 8.1202 120.2269 52.6662 41.3421 175.4659 101 P 4.4686 0.0000 0.0000 65.0551 31.5502 177.6329 102 R 3.9271 8.3366 117.8584 57.9847 31.0278 176.5696 103 F 5.0171 7.9784 116.2723 55.3456 39.1567 174.3606 104 P 4.3864 0.0000 0.0000 65.3212 31.9065 178.0982 105 D 4.9454 8.0536 117.5912 53.8204 41.4059 177.4572 106 F 4.1605 8.1652 123.5486 61.7446 39.3002 177.2044 107 K 3.5123 8.0389 118.3203 59.2257 31.8432 178.3390 108 Q 3.8696 7.8594 118.3500 59.3166 29.0223 177.7643 109 Q 4.0874 8.4904 119.2901 59.3134 28.7366 178.8264 110 M 3.8651 7.8698 120.0279 58.1634 31.6792 178.8711 111 S 4.0923 7.8160 113.2535 60.6815 63.0416 175.9234 112 V 4.1175 7.0581 113.5753 60.4095 31.7186 175.7431 113 K 4.6013 7.3777 119.4479 55.6268 34.2722 175.4661 114 Q 4.7648 8.5107 121.1570 54.3096 31.0292 174.6911 115 A 5.2235 8.6690 125.2647 50.3747 22.2579 174.6872 116 Y 5.4423 9.0671 116.8548 56.3419 43.0371 174.5980 117 V 5.0065 9.0238 120.2321 61.3481 35.3186 174.3729 118 I 5.1899 8.9093 127.0829 59.6011 40.7662 174.2747 119 A 5.7226 9.0704 128.0572 49.4453 22.7990 174.7740 120 V 4.9048 8.4848 121.0153 61.2528 35.3476 174.4861 121 G 4.4315 8.9638 113.0893 45.4380 0.0000 173.1395 122 G 4.3629 8.6073 105.8723 44.4469 0.0000 173.9360 123 D 4.5314 7.5487 120.0210 53.4714 41.1382 175.0706 124 N 4.1116 8.2696 127.8512 53.1668 37.7387 173.3656 125 P 4.3484 0.0000 0.0000 65.8996 31.9997 179.2514 126 K 4.0868 8.1566 117.1677 58.5965 32.4539 178.0402 127 I 4.2924 7.8112 118.3109 63.1574 38.1826 177.7295 128 K 4.3957 8.4129 116.8640 57.8760 32.2874 178.4512 129 G 4.0894 8.1776 105.9751 44.8271 0.0000 175.5436 130 L 4.0499 7.7644 122.8942 57.2068 41.5137 177.5600 131 P 4.2268 0.0000 0.0000 65.4059 31.2484 178.2904 132 L 3.8640 7.9392 118.7413 58.2091 41.9866 178.9783 133 I 3.8986 7.5986 119.3476 64.5230 36.9941 178.4635 134 Q 3.9686 8.2365 119.0925 58.7612 28.4518 178.5428 135 Q 3.8516 8.1682 120.9556 59.1721 29.0842 178.3383 136 F 3.4715 8.0282 118.8624 60.1403 38.8168 177.1048 137 E 4.1264 8.3536 119.0350 59.8550 29.3769 178.7528 138 H 4.3611 8.1189 116.0508 58.7903 28.8353 177.8618 139 I 3.6638 7.6433 121.6270 64.5138 36.8651 178.5634 140 F 4.6256 8.0893 118.9616 60.8856 38.7069 177.2363 141 H 4.1975 8.6516 118.0179 59.2368 29.4543 176.9955 142 F 4.1219 8.3932 121.5511 61.6301 39.3647 176.5368 143 M 4.2569 8.1801 115.6112 55.8064 31.9994 177.4837 144 G 3.8572 7.8054 107.1751 45.5299 0.0000 173.4295 145 M 4.3299 7.9314 119.1190 54.7694 33.1743 176.2863 146 S 4.3169 8.2596 118.6263 58.3068 64.3055 173.4881 147 F 4.8164 8.8769 128.3216 57.2848 37.9062 175.0712 148 K 3.9857 8.6879 125.5154 57.3325 32.7610 177.1616 149 G 4.1637 7.3567 107.6124 46.5655 0.0000 171.2257 150 Y 5.6304 7.5981 116.8875 55.9034 41.2946 174.3112 151 V 4.4622 9.0771 119.9746 61.4247 35.0660 173.7060 152 L 5.3017 8.9311 127.7464 53.1876 43.5340 175.9954 153 G 4.3188 9.2756 110.2443 44.3477 0.0000 170.7232 154 E 5.2362 8.9924 122.3853 54.3243 31.3396 175.4693 155 G 4.0683 8.4523 110.9973 46.3175 0.0000 172.3752 156 N 4.9340 8.9551 117.9430 53.9444 41.0953 175.0465 157 R 4.8300 8.9413 116.8418 53.0416 33.0327 173.5307 158 P 4.2744 0.0000 0.0000 64.7313 31.8927 176.4754 159 G 4.1046 9.1351 110.4547 46.0567 0.0000 175.0198 160 D 4.3517 8.2368 119.8971 57.6219 40.6568 178.6953 161 I 3.7547 8.3698 118.9241 63.7199 37.7120 177.3329 162 L 4.1771 7.9450 118.1959 56.2509 41.5159 178.1412 163 R 4.4385 7.7512 117.0165 55.6620 31.7945 177.0860 164 D 4.6047 7.7848 119.9689 52.7040 39.6257 175.6071 165 H 4.0959 8.3207 122.0519 58.5416 29.0714 176.4965 166 Q 3.9515 8.1188 120.2948 59.1841 28.9458 178.0332 167 A 3.9994 8.4552 121.7855 55.1240 18.3883 179.5820 168 L 3.9351 8.1943 117.8103 57.9431 41.8244 179.7395 169 S 4.0518 8.2544 112.8156 61.2937 62.2273 176.0314 170 A 3.9532 8.1702 123.2817 55.1589 18.1412 179.4961 171 A 3.9311 8.4305 119.9912 55.2747 18.2364 180.0444 172 S 4.1476 8.1460 111.8864 61.1019 63.4869 176.0385 173 R 4.3077 7.8280 119.4146 55.8958 29.9712 177.7738 174 L 3.8434 7.1279 121.5233 58.0540 41.9223 177.8479 175 L 4.3441 7.4937 113.7062 54.1926 41.9703 176.7254 176 K 4.2962 7.7319 119.3752 56.4558 32.4911 177.4149 177 R 4.2649 8.5090 121.5638 57.9597 30.8583 177.0437 178 S 4.4441 7.5745 110.4108 57.4499 65.1020 173.5811 179 D 4.3888 8.6007 126.4591 54.4761 41.3339 174.7174 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 K 8.17 4.41 0.00 1.94 2.17 0.00 1.51 0.00 0.00 1.86 0.00 0.00 3.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.57 7.81 3 I 7.61 4.80 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.72 0.00 0.00 4 A 8.97 5.01 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 5 V 8.74 4.32 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 0.79 0.00 0.00 0.77 0.00 0.00 6 I 8.44 4.33 1.38 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.20 0.58 0.00 0.00 7 N 8.95 4.84 0.00 2.50 2.47 0.00 0.00 6.78 7.58 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 8 G 9.40 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 0.00 0.00 0.00 9 G 8.00 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 0.00 0.00 0.00 0.00 10 T 8.41 4.34 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 1.23 0.00 0.00 11 R 8.52 3.89 0.00 1.07 1.61 0.00 2.21 0.00 0.00 2.78 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.14 0.00 12 S 8.76 4.56 0.00 3.97 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 13 G 8.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.33 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 15 N 8.67 4.35 0.00 2.76 2.90 0.00 0.00 6.81 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 16 T 7.84 3.87 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 17 D 8.11 4.38 0.00 2.81 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 18 V 7.92 3.56 2.23 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 0.94 0.00 0.00 0.98 0.00 0.00 19 L 8.21 3.98 0.00 1.97 1.66 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.30 3.99 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 21 E 8.45 3.99 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 22 K 7.84 3.94 0.00 1.87 2.00 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.51 7.81 23 A 7.53 4.86 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 24 V 7.49 4.01 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 0.53 0.00 0.00 1.00 0.00 0.00 25 Q 7.28 4.14 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 26 G 9.08 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 0.00 0.00 0.00 27 F 8.39 4.28 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.17 4.26 0.00 2.77 2.67 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 0.00 0.00 0.00 0.00 29 A 7.50 4.44 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 30 E 9.02 4.38 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 31 H 8.72 4.88 0.00 3.00 2.67 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.46 4.22 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.77 0.00 0.00 33 Y 8.43 4.83 0.00 2.84 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 34 L 8.63 3.95 0.00 1.53 1.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.80 4.20 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.23 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 *58 D 7.78 4.63 0.00 2.95 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 59 Y 8.50 4.21 0.00 3.20 3.12 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 60 D 8.40 4.40 0.00 2.88 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 61 S 8.11 4.22 0.00 4.04 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 62 I 7.77 3.67 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.84 0.00 0.00 63 I 7.55 3.57 1.35 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.20 -0.00 0.00 0.00 64 E 8.11 4.13 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 65 R 8.29 4.10 0.00 2.12 1.95 0.00 3.37 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 66 I 8.06 3.77 1.88 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.18 0.96 0.00 0.00 67 L 7.85 4.02 0.00 1.89 1.85 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.66 4.34 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 69 C 7.60 4.82 0.00 3.00 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 70 H 8.85 4.53 0.00 3.24 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.74 5.02 1.81 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 1.35 0.48 0.92 0.00 0.00 72 L 8.95 4.99 0.00 1.60 1.25 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.63 4.81 1.75 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.89 0.00 0.00 74 F 9.58 4.72 0.00 2.82 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 75 A 8.92 5.26 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 76 T 8.92 4.94 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 1.37 0.00 0.00 77 P 0.00 4.88 0.00 1.91 1.98 0.00 3.25 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 1.14 1.62 0.00 78 I 8.33 4.41 1.82 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 1.26 0.59 0.87 0.00 0.00 79 Y 8.58 4.75 0.00 3.21 2.88 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 80 W 8.87 3.40 0.00 3.48 3.39 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 81 F 7.51 3.91 0.00 3.32 3.19 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 82 G 7.85 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 0.00 0.00 0.00 83 M 8.29 4.48 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 84 S 8.28 4.30 0.00 3.93 3.57 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 85 G 8.89 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 0.00 0.00 0.00 86 T 7.98 3.93 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 87 L 8.25 4.15 0.00 1.83 1.72 1.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.21 3.82 0.00 1.87 1.95 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 89 L 8.25 3.94 0.00 1.78 1.71 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 F 7.90 4.30 0.00 3.21 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 2.00 1.41 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.37 0.04 0.00 0.00 92 D 8.06 4.17 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.63 3.98 0.00 1.69 1.36 0.00 2.21 0.00 0.00 2.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 94 W 8.22 4.37 0.00 3.51 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 95 S 7.92 4.23 0.00 3.99 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 96 Q 8.16 4.16 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 97 T 7.74 3.89 3.67 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 0.00 0.00 0.00 0.05 0.00 0.00 98 L 8.18 4.48 0.00 1.91 1.88 1.24 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.57 4.59 0.00 1.81 1.92 0.00 3.20 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 100 D 8.12 4.66 0.00 2.96 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 0.00 101 P 0.00 4.47 0.00 2.22 2.18 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 102 R 8.34 3.93 0.00 1.62 1.52 0.00 3.01 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 103 F 7.98 5.02 0.00 3.03 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 0.00 104 P 0.00 4.39 0.00 2.21 2.22 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 105 D 8.05 4.95 0.00 2.87 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 0.00 106 F 8.17 4.16 0.00 3.24 3.11 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 0.00 107 K 8.04 3.51 0.00 1.87 1.74 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.66 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.35 7.81 108 Q 7.86 3.87 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 109 Q 8.49 4.09 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 110 M 7.87 3.87 0.00 1.59 1.66 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.77 0.00 111 S 7.82 4.09 0.00 3.96 4.10 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 0.00 0.00 0.00 112 V 7.06 4.12 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 0.80 0.00 0.00 0.95 0.00 0.00 113 K 7.38 4.60 0.00 1.74 1.75 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.64 7.81 114 Q 8.51 4.76 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 115 A 8.67 5.22 0.28 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 0.00 116 Y 9.07 5.44 0.00 2.86 2.88 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 0.00 117 V 9.02 5.01 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 0.93 0.00 0.00 0.07 0.00 0.00 118 I 8.91 5.19 1.91 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 1.20 0.62 0.94 0.00 0.00 119 A 9.07 5.72 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 0.00 120 V 8.48 4.90 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 1.16 0.00 0.00 0.95 0.00 0.00 121 G 8.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.61 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.55 4.53 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 0.00 124 N 8.27 4.11 0.00 2.95 2.91 0.00 0.00 6.81 7.71 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 0.00 125 P 0.00 4.35 0.00 2.30 2.32 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 126 K 8.16 4.09 0.00 1.81 1.98 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.51 7.81 127 I 7.81 4.29 1.91 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 1.67 1.44 0.94 0.00 0.00 128 K 8.41 4.40 0.00 2.16 2.16 0.00 2.10 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 129 G 8.18 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 0.00 0.00 0.00 130 L 7.76 4.05 0.00 1.67 1.73 0.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.23 0.00 2.17 2.09 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 132 L 7.94 3.86 0.00 1.96 1.95 0.63 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.60 3.90 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.30 0.22 0.00 0.00 134 Q 8.24 3.97 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 135 Q 8.17 3.85 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 1.96 2.20 0.00 136 F 8.03 3.47 0.00 3.01 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 0.00 0.00 0.00 137 E 8.35 4.13 0.00 2.38 2.11 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 2.68 2.66 0.00 138 H 8.12 4.36 0.00 3.31 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.64 3.66 1.43 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 0.80 0.00 0.00 140 F 8.09 4.63 0.00 2.97 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 0.00 141 H 8.65 4.20 0.00 3.52 3.60 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.39 4.12 0.00 3.18 3.35 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 0.00 143 M 8.18 4.26 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.26 0.00 144 G 7.81 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 0.00 145 M 7.93 4.33 0.00 1.77 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 146 S 8.26 4.32 0.00 3.72 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 0.00 147 F 8.88 4.82 0.00 3.07 3.04 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 0.00 148 K 8.69 3.99 0.00 0.79 1.56 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.31 7.81 149 G 7.36 4.16 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 0.00 150 Y 7.60 5.63 0.00 3.14 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 0.00 151 V 9.08 4.46 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 1.04 0.00 0.00 0.94 0.00 0.00 152 L 8.93 5.30 0.00 1.69 1.66 1.05 0.98 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 0.00 153 G 9.28 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 0.00 154 E 8.99 5.24 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 155 G 8.45 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.96 4.93 0.00 2.85 2.80 0.00 0.00 6.77 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.94 4.83 0.00 1.85 1.79 0.00 3.32 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 158 P 0.00 4.27 0.00 2.04 2.03 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 159 G 9.14 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.24 4.35 0.00 2.82 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 0.00 161 I 8.37 3.75 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 0.97 0.00 0.00 162 L 7.94 4.18 0.00 1.78 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 163 R 7.75 4.44 0.00 1.88 1.93 0.00 3.15 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 164 D 7.78 4.60 0.00 2.70 2.67 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 0.00 0.00 0.00 0.00 165 H 8.32 4.10 0.00 3.21 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 Q 8.12 3.95 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 167 A 8.46 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 8.19 3.94 0.00 1.84 1.73 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 169 S 8.25 4.05 0.00 3.91 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 0.00 170 A 8.17 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 8.43 3.93 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 0.00 172 S 8.15 4.15 0.00 4.05 4.10 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 0.00 0.00 0.00 173 R 7.83 4.31 0.00 1.90 1.98 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 174 L 7.13 3.84 0.00 1.66 1.55 0.98 0.93 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 0.00 175 L 7.49 4.34 0.00 1.40 1.36 -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 176 K 7.73 4.30 0.00 1.97 1.77 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.49 7.81 177 R 8.51 4.26 0.00 1.83 2.00 0.00 3.44 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 178 S 7.57 4.44 0.00 3.79 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 0.00 179 D 8.60 4.39 0.00 2.62 2.44 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 * Residues marked with a * may have inaccurate shift predictions.