NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.6468 8.4093 118.1143 52.3884 39.8803 174.0040 12 P 4.1787 0.0000 0.0000 62.4544 32.1518 174.7611 13 T 4.5712 8.9252 119.0367 62.1639 70.0177 174.7200 14 R 4.2815 8.4821 125.9796 55.5938 31.6111 175.7141 15 I 4.9250 8.3574 124.0945 59.8344 40.2109 174.8114 16 T 4.4855 9.4610 124.7840 61.3597 70.2289 174.8657 17 A 4.6743 8.0372 129.8792 49.8276 19.1636 175.1204 18 E 3.9947 8.0530 122.0819 55.2120 30.6742 175.7992 19 P 4.3267 0.0000 0.0000 64.1598 31.9016 176.8234 20 G 3.9636 9.0642 109.8507 45.0314 0.0000 173.1273 21 K 4.6724 7.3636 118.6162 54.8189 34.3809 175.8967 22 Q 4.8812 8.3434 118.7020 55.8042 29.2847 174.3797 23 E 5.5775 8.0930 115.5560 56.6886 33.7016 174.3991 24 I 4.8792 9.1091 120.0965 60.0826 41.9162 174.2902 25 I 5.0138 8.9493 127.8206 59.5361 40.2643 174.6727 26 I 5.1809 8.9565 127.1583 59.6745 40.8822 174.5227 27 T 5.0906 8.7281 116.9074 60.1690 72.0734 173.0703 28 R 4.4511 8.4593 120.8904 55.6497 33.9927 173.5809 29 E 4.9221 8.3758 125.2762 55.0467 32.0207 175.2057 30 F 4.7396 8.9784 119.5387 55.2601 43.4428 175.2569 31 D 5.0138 8.4021 122.7824 52.1922 39.7579 175.6461 32 A 4.5636 7.1244 119.7974 50.2978 22.6507 174.8346 33 P 4.5325 0.0000 0.0000 62.3490 32.1993 177.9059 34 R 4.1655 8.5986 118.9957 58.7140 29.1718 178.8959 35 E 3.9616 8.1179 119.3243 59.3200 29.4768 178.9999 36 L 4.0166 8.0818 119.0602 57.6221 41.5383 179.6200 37 V 3.4183 7.6346 116.5841 65.9337 31.8585 177.2112 38 F 3.3588 8.4793 120.7052 60.9818 39.0315 176.9191 39 K 4.0221 8.1502 118.6310 59.5512 31.7787 178.5820 40 A 4.0750 7.8405 119.9767 54.9284 18.2512 179.0194 41 F 4.6697 8.2405 115.7258 59.2179 39.3645 176.6062 42 T 4.3703 7.8085 105.6614 61.3228 70.1113 174.0069 43 D 4.7665 8.4240 123.3694 52.4763 42.1676 174.2608 44 P 3.6893 0.0000 0.0000 66.0339 31.2824 178.1216 45 D 4.5428 8.0914 114.6647 56.1318 40.9372 177.7501 46 L 4.4630 8.1989 119.9217 56.4795 42.8139 177.7062 47 Y 4.1074 7.9887 119.2931 60.9700 38.3908 178.3298 48 T 3.6234 7.1020 106.1643 63.6128 68.9828 175.0526 49 Q 4.2299 7.7508 120.5349 56.6396 29.1919 176.3089 50 W 4.8462 7.2138 112.6102 55.6716 29.8836 175.3852 51 I 2.4964 5.9037 118.5660 61.1804 37.6762 175.8341 52 G 3.8172 7.8328 110.7415 44.3866 0.0000 171.7468 53 P 4.2071 0.0000 0.0000 61.5741 32.0477 175.8536 54 R 3.9803 7.6597 118.6810 58.3856 30.2116 177.1862 55 G 4.0468 8.9912 111.4645 45.4678 0.0000 172.9666 56 F 4.9881 7.9677 117.7342 56.2271 41.1221 175.3591 57 T 4.7158 8.9619 118.6254 62.1075 71.3698 173.3365 58 T 5.1109 8.5307 121.3988 61.6549 71.4584 173.0775 59 A 4.7968 9.0483 128.0798 50.0256 21.8495 175.0935 60 L 4.7019 8.6451 122.4360 54.4424 42.4098 176.7245 61 K 4.5863 9.4538 121.9476 57.6918 34.3604 177.0328 62 I 4.7447 7.7035 118.7436 60.0978 41.9570 174.6893 63 F 4.8488 8.7903 128.5383 58.0054 40.9425 173.0195 64 E 4.5363 8.7778 127.2617 52.6944 30.5400 174.8380 65 P 4.5359 0.0000 0.0000 60.9911 30.2531 175.9272 66 K 4.6192 7.2027 118.1611 55.6067 36.0809 175.7450 67 N 4.3726 8.6537 117.1575 55.2573 38.6352 175.8983 68 G 3.9207 9.0572 111.0778 45.4448 0.0000 173.7471 69 G 4.1007 8.2151 107.6989 45.2924 0.0000 173.5037 70 S 5.4661 9.3615 118.1304 56.5435 66.1170 173.2411 71 W 5.6726 8.3011 117.7467 55.5584 32.1818 173.8065 72 Q 5.1234 9.5769 120.3338 55.7217 32.6401 172.4717 73 Y 5.5539 8.8390 123.8298 55.6857 42.5493 173.8006 74 I 5.3171 9.1679 120.4398 59.8942 40.6412 174.7737 75 Q 5.4424 9.8891 126.0099 54.4192 31.9636 174.6699 76 K 5.2580 9.3663 121.8518 54.5797 35.5468 175.9939 77 D 3.5453 8.6613 124.6734 50.9258 41.4149 175.6148 78 P 4.7096 0.0000 0.0000 62.4294 29.4873 176.9836 79 E 4.6069 9.5628 119.5185 58.2027 35.6035 175.5977 80 G 3.4864 8.4719 111.0000 45.3437 0.0000 173.2660 81 N 4.3986 8.9013 120.5673 53.4622 39.5488 173.9797 82 E 5.2243 8.3360 121.4281 54.8257 32.7651 175.2457 83 Y 4.7954 9.2069 119.7604 56.4992 41.7256 174.0845 84 A 5.2505 8.4850 126.3623 50.4588 21.6572 175.4648 85 F 5.2930 9.0283 119.4053 56.3512 43.9211 173.4012 86 H 3.9097 7.9763 115.4399 54.7297 32.4301 172.4488 87 G 4.1141 6.0877 104.4333 46.5090 0.0000 172.3774 88 V 4.9464 8.4746 112.2636 59.5129 36.0663 175.1054 89 N 5.0379 9.7086 123.0943 53.2294 39.0973 175.6058 90 H 4.2985 9.6923 125.6372 58.8894 30.8461 175.1977 91 D 4.9237 7.9373 116.6339 52.8959 44.8802 174.2046 92 V 4.8378 9.1770 125.1139 61.7171 34.0779 174.9672 93 T 4.5027 9.0063 125.7315 61.3878 71.2694 173.4232 94 E 2.5400 8.5566 128.3365 54.7204 30.1784 174.9703 95 P 3.2643 0.0000 0.0000 62.0573 32.2408 176.6378 96 E 4.1606 8.2189 120.4623 59.6928 29.9673 176.9072 97 R 5.4695 7.4757 112.2305 55.9594 32.9077 173.1262 98 I 5.2842 8.8864 119.7974 59.8782 41.5931 174.5681 99 I 5.2384 9.2993 127.7170 59.6321 40.5588 174.7861 100 S 5.1846 9.0225 120.3460 57.6521 66.8330 173.9364 101 T 4.9315 8.9694 111.6062 61.4902 70.9610 173.5238 102 F 5.3063 8.9307 123.9953 57.1364 43.3979 172.5907 103 E 4.9525 8.7623 126.5197 54.4342 33.4144 173.6123 104 F 4.9776 8.9065 128.9978 56.9196 40.4428 175.9284 105 E 4.0090 8.7771 126.4941 57.6407 29.3635 177.9278 106 G 3.0371 5.3800 106.6587 45.3027 0.0000 174.1533 107 L 4.2372 6.4278 119.0850 53.4331 42.4196 175.5499 108 P 4.3151 0.0000 0.0000 65.2088 31.6075 176.5690 109 E 4.5738 7.8126 117.0098 54.2064 31.0942 175.9068 110 K 4.2705 8.3274 122.2866 56.1215 33.2678 177.2625 111 G 3.8744 8.8501 108.3876 45.6272 0.0000 173.7711 112 H 4.5485 7.8604 116.4272 54.8418 27.8317 174.1702 113 V 4.7619 8.0990 123.5485 60.9367 34.3541 174.4848 114 I 4.6011 8.7434 126.9717 59.3857 40.6787 174.1063 115 L 4.9718 8.4330 127.3118 53.6477 44.0383 174.6678 116 D 5.4643 9.2671 126.7645 52.9450 43.8998 175.6629 117 T 5.0671 8.9164 118.5045 61.8742 72.1710 172.5713 118 A 4.9930 9.3686 129.4145 50.0093 21.4952 174.9621 119 R 4.9117 8.5875 123.4671 54.4482 32.9125 174.4775 120 F 5.1060 9.2170 125.2801 55.7624 40.9783 174.4788 121 E 4.8211 8.9992 124.8874 53.9249 32.4138 175.0819 122 A 4.6591 8.7285 128.1275 52.1236 19.5160 176.3485 123 L 4.9988 8.8295 120.2714 51.5981 46.2725 174.5360 124 P 4.3778 0.0000 0.0000 64.5542 31.5038 176.5505 125 G 3.7719 8.6099 109.4823 46.2837 0.0000 172.5820 126 D 4.3329 8.0059 114.9881 55.3821 38.5449 173.1530 127 R 4.8896 7.6021 116.2270 54.9032 33.8510 175.8828 128 T 5.1867 8.7374 114.9848 61.9519 73.2289 173.4432 129 K 4.6832 9.1323 126.3282 54.6131 35.0499 174.2287 130 L 4.8048 9.1700 130.5166 53.6895 44.2129 175.0222 131 T 4.9353 8.5476 123.2718 62.0900 71.0068 173.0493 132 S 5.0241 9.1656 124.1340 57.2575 65.2372 173.0678 133 H 5.2327 9.4584 124.7257 54.6901 32.3618 172.4532 134 S 5.0698 9.4102 123.6856 56.9619 65.0599 173.4749 135 V 4.7019 8.3811 126.0233 61.3047 33.0293 175.1392 136 F 4.8413 9.2427 127.2448 56.0633 40.2717 176.1819 137 Q 4.1609 8.9802 121.8782 59.1672 29.2911 176.7942 138 T 4.8097 7.6412 106.2910 58.9359 73.1785 174.3999 139 I 3.6875 8.3845 115.9222 64.2236 37.3449 178.0233 140 E 3.9698 8.1530 118.9005 59.2602 29.1680 178.6583 141 D 4.3492 7.8313 118.5320 57.0189 40.9961 178.4568 142 R 2.5100 7.4109 117.9104 58.8860 30.3378 177.9505 143 D 4.5357 8.2900 119.1014 57.1152 40.5990 180.3256 144 G 4.2520 8.5646 105.9364 44.7278 0.0000 175.2771 *146 L 4.2565 7.8864 122.0038 54.5018 43.8945 178.6984 147 Q 4.0969 8.0208 117.2016 58.9895 28.7356 178.0963 148 S 4.2052 7.7939 112.2672 58.0131 62.5211 172.3110 149 G 3.5869 7.7937 114.8640 45.5326 0.0000 174.3112 *151 E 4.1737 8.3034 126.6860 55.3880 31.8632 177.6712 152 E 4.0777 8.0278 118.8560 58.9417 29.8663 178.3447 153 G 3.4326 7.7899 105.7662 47.7459 0.0000 175.3025 154 I 3.3211 7.5053 120.5511 63.8173 38.0738 177.5158 155 N 4.3530 7.5946 116.4463 56.2825 38.3010 177.1716 156 D 4.3339 7.9447 120.4733 57.3270 40.9814 178.7254 157 S 4.5856 7.9818 116.1499 61.4456 62.8594 176.2332 158 Y 4.7309 8.1696 120.5085 60.7248 37.6641 178.5966 159 E 4.2575 8.2896 119.4700 59.5084 29.6123 179.4784 160 R 4.0202 8.5283 118.6340 59.1691 30.1217 178.9054 161 L 3.7212 8.5199 120.6788 57.8479 41.9875 178.5928 162 D 4.4201 8.2017 118.9543 57.6223 40.7161 178.7075 163 E 3.9732 8.0587 118.4769 59.3649 29.2350 179.2945 164 L 3.9559 7.7312 119.2507 58.1219 42.2453 178.5925 165 L 4.0577 8.1280 118.2791 57.8282 41.7146 179.0536 166 E 4.1865 8.1435 118.4047 59.1587 29.3228 180.1856 167 K 4.2245 7.6621 115.9102 56.8727 31.9901 179.0795 *169 K 4.2257 8.0282 120.9221 56.5377 34.0797 178.4559 170 K 3.9665 8.3801 117.4370 59.4060 32.0527 178.3338 171 L 3.9968 7.9216 119.4334 57.6074 41.5652 176.7920 172 E 3.6791 7.0487 117.7861 58.2919 29.9118 176.2477 173 H 4.5348 7.7354 119.5700 55.6838 28.7515 173.7579 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 11 N 8.41 4.65 0.00 2.54 2.63 0.00 0.00 6.98 7.13 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 12 P 0.00 4.18 0.00 2.22 2.01 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 13 T 8.93 4.57 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 1.36 0.00 0.00 14 R 8.48 4.28 0.00 1.76 1.84 0.00 3.02 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 15 I 8.36 4.93 1.87 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 1.37 0.78 0.91 0.00 0.00 16 T 9.46 4.49 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 17 A 8.04 4.67 1.16 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 18 E 8.05 3.99 0.00 2.04 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 2.40 2.32 0.00 19 P 0.00 4.33 0.00 2.16 2.04 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 20 G 9.06 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 21 K 7.36 4.67 0.00 1.88 1.74 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 22 Q 8.34 4.88 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 23 E 8.09 5.58 0.00 2.20 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 2.24 2.41 0.00 24 I 9.11 4.88 2.09 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 1.01 0.00 0.00 25 I 8.95 5.01 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.98 0.86 0.00 0.00 26 I 8.96 5.18 1.97 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 1.32 0.73 1.14 0.00 0.00 27 T 8.73 5.09 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 28 R 8.46 4.45 0.00 1.64 1.05 0.00 2.21 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 29 E 8.38 4.92 0.00 1.69 1.71 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 2.15 2.20 0.00 30 F 8.98 4.74 0.00 2.87 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 31 D 8.40 5.01 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.12 4.56 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 33 P 0.00 4.53 0.00 2.24 2.41 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 34 R 8.60 4.17 0.00 2.18 2.37 0.00 3.44 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 35 E 8.12 3.96 0.00 1.99 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 0.00 2.39 2.33 0.00 36 L 8.08 4.02 0.00 1.87 1.68 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.63 3.42 2.16 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 0.73 0.00 0.00 0.94 0.00 0.00 38 F 8.48 3.36 0.00 2.79 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 39 K 8.15 4.02 0.00 2.07 2.02 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 40 A 7.84 4.08 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 41 F 8.24 4.67 0.00 2.88 3.02 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 42 T 7.81 4.37 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 1.02 0.00 0.00 43 D 8.42 4.77 0.00 2.84 2.73 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 44 P 0.00 3.69 0.00 2.19 2.05 0.00 3.74 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.63 0.00 45 D 8.09 4.54 0.00 2.80 2.73 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 46 L 8.20 4.46 0.00 1.87 1.79 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.99 4.11 0.00 2.91 2.53 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 48 T 7.10 3.62 4.20 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 1.03 0.00 0.00 49 Q 7.75 4.23 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 50 W 7.21 4.85 0.00 3.47 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 51 I 5.90 2.50 0.56 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.13 0.02 0.00 0.00 52 G 7.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.21 0.00 1.83 1.79 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.78 0.00 54 R 7.66 3.98 0.00 1.84 1.92 0.00 3.37 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 55 G 8.99 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 56 F 7.97 4.99 0.00 3.04 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 57 T 8.96 4.72 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 1.22 0.00 0.00 58 T 8.53 5.11 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 0.87 0.00 0.00 59 A 9.05 4.80 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 60 L 8.65 4.70 0.00 1.59 1.73 0.48 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.45 4.59 0.00 1.78 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 62 I 7.70 4.74 1.97 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 1.28 0.95 1.05 0.00 0.00 63 F 8.79 4.85 0.00 3.05 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 64 E 8.78 4.54 0.00 2.15 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 2.23 2.25 0.00 65 P 0.00 4.54 0.00 2.09 1.71 0.00 3.67 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 66 K 7.20 4.62 0.00 1.91 1.89 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.46 7.81 67 N 8.65 4.37 0.00 2.71 2.81 0.00 0.00 6.98 7.65 0.00 0.00 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 G 9.06 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 69 G 8.22 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 70 S 9.36 5.47 0.00 3.74 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 71 W 8.30 5.67 0.00 3.61 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 72 Q 9.58 5.12 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 73 Y 8.84 5.55 0.00 3.27 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 74 I 9.17 5.32 2.01 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 1.32 0.86 1.05 0.00 0.00 75 Q 9.89 5.44 0.00 2.56 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.89 0.00 76 K 9.37 5.26 0.00 1.67 1.63 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 77 D 8.66 3.55 0.00 2.27 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.71 0.00 2.07 2.26 0.00 3.44 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 79 E 9.56 4.61 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 80 G 8.47 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.90 4.40 0.00 2.82 2.45 0.00 0.00 6.67 8.32 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 82 E 8.34 5.22 0.00 1.71 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 2.20 2.38 0.00 83 Y 9.21 4.80 0.00 3.30 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 84 A 8.48 5.25 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 85 F 9.03 5.29 0.00 2.28 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 86 H 7.98 3.91 0.00 2.84 3.03 0.00 5.30 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 6.09 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 88 V 8.47 4.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.95 0.00 0.00 89 N 9.71 5.04 0.00 2.82 2.81 0.00 0.00 6.53 7.22 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 90 H 9.69 4.30 0.00 3.15 3.52 0.00 5.94 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 91 D 7.94 4.92 0.00 2.85 2.54 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 92 V 9.18 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 1.07 0.00 0.00 0.94 0.00 0.00 93 T 9.01 4.50 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 1.17 0.00 0.00 94 E 8.56 2.54 0.00 1.53 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 1.47 2.00 0.00 95 P 0.00 3.26 0.00 1.95 1.72 0.00 3.63 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 96 E 8.22 4.16 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 97 R 7.48 5.47 0.00 2.13 2.11 0.00 3.05 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 98 I 8.89 5.28 1.97 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.95 0.00 0.00 99 I 9.30 5.24 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.07 0.98 0.00 0.00 100 S 9.02 5.18 0.00 4.34 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 0.00 101 T 8.97 4.93 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 0.00 102 F 8.93 5.31 0.00 3.45 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 0.00 103 E 8.76 4.95 0.00 1.88 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 2.11 2.43 0.00 104 F 8.91 4.98 0.00 3.43 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 0.00 105 E 8.78 4.01 0.00 1.75 1.77 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 2.27 2.22 0.00 106 G 5.38 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 0.00 0.00 0.00 107 L 6.43 4.24 0.00 1.63 1.59 1.06 1.25 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 0.00 108 P 0.00 4.32 0.00 2.16 2.16 0.00 3.74 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 1.98 1.99 0.00 109 E 7.81 4.57 0.00 2.04 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 2.25 2.32 0.00 110 K 8.33 4.27 0.00 1.73 1.73 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.34 7.81 111 G 8.85 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 0.00 112 H 7.86 4.55 0.00 3.24 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.10 4.76 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 0.85 0.00 0.00 0.93 0.00 0.00 114 I 8.74 4.60 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.59 0.15 0.00 0.00 115 L 8.43 4.97 0.00 1.75 1.47 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 116 D 9.27 5.46 0.00 2.78 2.57 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 0.00 117 T 8.92 5.07 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 1.24 0.00 0.00 118 A 9.37 4.99 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 0.00 119 R 8.59 4.91 0.00 1.85 1.68 0.00 3.05 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 120 F 9.22 5.11 0.00 3.19 3.02 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 0.00 121 E 9.00 4.82 0.00 2.07 1.76 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 2.19 2.27 0.00 122 A 8.73 4.66 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.83 5.00 0.00 1.55 1.53 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.38 0.00 2.17 2.06 0.00 3.77 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 1.98 1.96 0.00 125 G 8.61 3.77 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 0.00 0.00 0.00 126 D 8.01 4.33 0.00 2.81 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 0.00 127 R 7.60 4.89 0.00 1.75 1.99 0.00 3.06 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 128 T 8.74 5.19 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 1.46 0.00 0.00 129 K 9.13 4.68 0.00 1.75 1.62 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.75 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0.00 2.33 2.44 0.00 138 T 7.64 4.81 4.42 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 1.26 0.00 0.00 139 I 8.38 3.69 1.86 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 1.71 1.00 0.96 0.00 0.00 140 E 8.15 3.97 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 141 D 7.83 4.35 0.00 3.10 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 0.00 142 R 7.41 2.51 0.00 1.42 1.89 0.00 3.08 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.81 0.00 143 D 8.29 4.54 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.56 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 0.00 0.00 0.00 0.00 *146 L 7.89 4.26 0.00 1.76 1.73 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.02 4.10 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 148 S 7.79 4.21 0.00 3.83 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 0.00 149 G 7.79 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 *151 E 8.30 4.17 0.00 2.00 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 2.24 2.27 0.00 152 E 8.03 4.08 0.00 2.07 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 2.32 2.38 0.00 153 G 7.79 3.43 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 0.00 154 I 7.51 3.32 1.66 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.31 0.81 0.00 0.00 155 N 7.59 4.35 0.00 3.05 2.99 0.00 0.00 7.06 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 0.00 156 D 7.94 4.33 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 S 7.98 4.59 0.00 4.29 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 0.00 158 Y 8.17 4.73 0.00 3.10 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 0.00 159 E 8.29 4.26 0.00 2.32 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 2.37 2.56 0.00 160 R 8.53 4.02 0.00 2.21 2.10 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 161 L 8.52 3.72 0.00 1.06 1.66 -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.20 4.42 0.00 3.07 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 0.00 163 E 8.06 3.97 0.00 2.19 2.01 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 2.35 2.62 0.00 164 L 7.73 3.96 0.00 1.65 1.77 0.93 1.15 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 0.00 165 L 8.13 4.06 0.00 1.73 1.68 0.64 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.14 4.19 0.00 2.20 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 0.00 2.50 2.51 0.00 167 K 7.66 4.22 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.65 7.81 *169 K 8.03 4.23 0.00 2.01 1.91 0.00 1.79 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.55 7.81 170 K 8.38 3.97 0.00 1.89 1.88 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.53 7.81 171 L 7.92 4.00 0.00 1.81 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.05 3.68 0.00 1.87 1.60 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 0.00 2.01 2.00 0.00 173 H 7.74 4.53 0.00 3.22 3.21 0.00 5.63 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 * Residues marked with a * may have inaccurate shift predictions.