NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.4603 8.3033 118.9430 55.7571 32.1824 174.6077 16 S 5.1232 8.1193 115.5600 55.0479 66.6025 172.0003 17 F 5.0831 9.0919 116.6682 55.4113 42.4826 172.5994 18 L 4.7495 8.5364 118.4759 53.0598 44.4371 174.8430 19 Y 5.4372 9.1133 124.7560 55.8925 41.6681 173.8579 20 F 5.0729 9.2242 129.8706 56.8213 40.4259 174.4368 21 A 4.3128 8.3871 129.3753 50.2410 20.8912 176.5544 22 Y 4.6797 7.7059 116.5167 56.0494 40.8447 175.5611 23 G 4.1454 6.8783 109.2595 45.6684 0.0000 177.4448 24 S 4.0002 8.5088 119.0430 60.6875 63.1026 175.4425 25 N 4.6911 8.0871 116.5067 54.0586 38.1562 176.5870 26 L 4.1242 7.9035 119.8609 56.7313 42.1130 177.3987 27 L 4.6068 7.7875 120.8882 53.6343 43.3142 176.4693 28 T 3.8197 9.0988 124.3523 67.1736 68.4079 176.0934 29 E 3.9903 8.1599 118.6983 59.0211 29.9333 178.4942 30 R 4.0588 7.7638 118.4753 59.3943 30.4153 178.0270 31 I 3.7955 7.5261 119.7536 63.8127 37.6788 177.2197 32 H 4.5329 7.8137 115.0133 57.3901 28.5343 177.2724 33 L 4.1119 7.4659 121.1367 57.7436 41.6752 178.8746 34 R 4.4401 7.8107 114.1173 55.9044 32.5362 176.2783 35 N 5.0320 7.8006 115.9936 50.6545 38.7176 173.3493 36 P 4.2604 0.0000 0.0000 65.1417 32.0292 178.2799 37 S 4.4271 7.8833 111.0586 57.9588 63.5582 174.0982 38 A 4.2859 7.8651 124.8662 52.5103 18.7718 176.8159 39 A 5.1348 8.9266 123.0617 49.6739 22.3166 175.4699 40 F 3.6769 9.5314 124.8658 59.0996 39.4727 173.4211 41 F 4.5802 7.5849 127.8977 58.4024 40.8015 174.8574 42 C 4.2802 6.3192 110.4195 57.5241 32.0789 172.0256 43 V 4.6399 8.4882 119.2743 62.2189 32.4706 174.5820 44 A 4.8928 9.3557 127.4244 50.8321 23.5320 174.6064 45 R 3.7875 8.2523 119.4909 53.9461 32.8469 174.4209 46 L 4.3721 8.7760 129.7376 53.2850 42.6728 175.2599 47 Q 4.2104 8.3571 128.2626 56.3405 30.7628 175.3369 48 D 4.8067 9.2111 123.2984 55.5709 39.0321 173.2340 49 F 5.1032 7.5970 116.0923 55.4434 42.8618 174.6266 50 K 4.4821 8.5374 122.4311 54.3313 35.0293 174.8029 51 L 4.5232 8.3889 128.7696 54.8689 43.1106 174.8704 52 D 5.1050 9.3615 124.5628 52.8227 45.9251 173.4565 53 F 5.2371 8.6527 117.8643 56.0095 43.2247 174.8685 54 G 4.6060 9.0482 108.4179 46.2556 0.0000 171.2104 55 N 5.2579 9.2074 118.2675 51.1307 40.3982 174.9764 56 S 4.2054 8.7961 119.3914 59.6611 63.5485 174.1388 57 Q 3.4451 10.0228 125.2255 56.7585 26.8330 174.6543 58 G 3.9337 8.1137 102.5342 46.0540 0.0000 174.1457 59 K 4.4613 8.4220 119.7089 54.5923 33.3099 176.6755 60 T 4.2332 8.3228 120.5046 62.3896 69.1756 174.3311 61 S 4.0321 8.7709 120.6306 59.3016 62.5529 174.5842 62 Q 4.1073 8.4806 125.3410 57.1196 29.3164 177.2793 63 T 3.7848 7.7480 114.7361 65.8476 69.1052 175.6545 64 W 4.6510 8.0259 119.7552 56.2140 30.2237 176.4566 65 H 4.2356 8.0837 114.1838 56.0928 25.8204 174.0579 66 G 4.0544 7.0523 103.0555 45.4650 0.0000 174.1709 67 G 4.4612 9.1052 107.6325 45.8108 0.0000 173.2680 68 I 4.5508 8.6617 116.1863 58.3201 40.9688 174.6532 69 A 4.2015 8.9714 125.1286 52.5506 19.0215 176.7211 70 T 5.2814 8.9786 115.0404 61.2449 71.6530 172.1080 71 I 5.5617 8.4830 116.4605 58.0763 40.9516 174.3127 72 F 5.2223 7.9891 116.5681 55.2545 41.6250 173.4575 73 Q 3.6835 8.5415 119.3334 56.1999 29.5008 176.5424 74 S 4.3723 8.6517 117.1437 57.0045 64.9631 172.0151 75 P 4.5529 0.0000 0.0000 64.1490 31.5726 177.0683 76 G 3.9694 9.5114 111.9994 45.1005 0.0000 173.2201 77 D 5.0054 7.8205 119.7106 53.4459 43.0585 175.1122 78 E 5.1473 8.4243 116.3401 55.1648 32.9140 174.6565 79 V 4.5760 8.5210 120.0462 61.0596 34.9724 174.1692 80 W 4.8807 7.6740 126.5687 55.4666 31.6821 175.5454 81 G 3.7693 8.9795 108.4614 45.7856 0.0000 171.0751 82 V 4.6347 7.8779 119.4963 60.9105 34.0710 175.5438 83 V 4.5052 8.5155 128.3754 61.6366 33.0821 174.4457 84 W 5.1243 9.3041 127.9015 54.8464 32.1591 175.0845 85 K 4.7805 9.4974 125.6117 54.3853 34.2869 175.1089 *87 N 5.0496 8.3994 120.2922 52.8512 39.9187 176.0538 88 K 4.3372 9.2040 122.8601 59.5219 31.8601 179.6164 89 S 4.2479 8.2380 113.3492 60.9870 62.9264 175.1501 90 N 4.7627 8.5127 118.8740 53.2053 38.4895 176.7028 91 L 3.7920 7.6966 122.2458 58.0818 41.7526 179.2018 92 N 4.3347 8.0441 115.7725 56.0580 38.4527 177.3680 93 S 4.0383 7.9689 114.3016 61.1385 62.5962 175.7375 94 L 3.7385 8.1218 123.2360 58.1970 41.9425 178.3828 95 D 4.3294 8.1462 118.8931 57.6161 40.8717 178.6864 96 E 3.9095 8.1884 119.3822 59.4505 29.3963 178.8533 97 Q 3.9596 7.9426 117.1615 58.6602 28.8249 177.7618 98 E 3.9628 7.5437 116.7200 55.3303 29.4622 176.5658 99 G 3.9611 7.9911 107.7291 46.5088 0.0000 176.9338 100 V 4.3221 7.6855 119.8214 65.2075 31.8104 178.2941 101 K 4.0029 8.1338 117.5848 59.1986 31.9530 177.7423 102 S 4.4508 7.7688 110.0317 57.8866 63.4188 173.1232 103 G 3.4791 7.7268 110.2058 46.1383 0.0000 172.5587 *105 Y 4.7287 7.3304 119.3831 58.2505 40.5470 174.7391 106 V 4.7151 8.7237 121.6372 60.0345 34.1786 175.3838 107 V 4.0086 8.5178 123.5086 62.9870 32.1685 174.9651 108 I 4.7083 8.6028 120.6724 59.0486 41.3068 173.4881 109 E 5.1594 8.6494 123.1866 54.6890 31.6500 175.2642 110 V 4.5261 8.6249 118.2355 59.5565 36.6289 174.3087 111 K 4.8857 8.4486 121.8193 54.9125 33.7559 176.1017 112 V 4.3495 8.7704 117.8811 59.1681 35.8596 174.3784 113 A 5.1128 8.1343 123.4648 50.1789 21.5692 176.7400 114 T 4.6135 8.7258 113.3763 61.1135 69.7117 175.7238 115 Q 4.1877 8.6570 120.3982 58.5026 28.7576 177.2945 116 E 4.2899 8.2417 116.0805 55.9438 29.5896 176.7495 117 G 3.8855 8.3235 106.9872 45.9022 0.0000 173.8161 118 K 4.3038 7.7145 119.2551 55.4699 33.4982 175.6591 119 E 4.7375 8.6762 125.7757 55.5261 30.8231 175.2967 120 I 4.6112 8.6758 127.4493 59.7868 40.7951 174.4806 121 T 4.8252 8.4680 123.1628 62.8041 69.6212 173.9390 122 C 5.1461 9.1293 123.2562 57.7512 33.0074 173.2813 123 R 4.6023 9.1183 121.7442 56.8398 31.2565 175.7678 124 S 4.9021 8.4170 117.9645 58.4789 65.8949 171.9897 125 Y 5.4932 8.7724 114.4951 56.1896 41.9692 174.7887 126 L 4.8923 9.1508 125.9988 55.9323 46.1499 178.9863 *128 T 4.2879 8.8219 107.4685 60.9607 70.3764 173.3909 129 N 4.9428 7.8266 121.3410 52.9783 40.7924 172.0771 130 Y 5.2867 8.0595 121.8673 55.8490 41.3408 173.5487 131 E 4.6125 8.7100 119.8203 54.2687 32.3498 175.5025 132 S 5.0082 8.7841 119.3810 58.8752 63.5955 173.0874 133 A 4.7445 9.0382 125.6846 50.2334 22.9740 174.1593 134 P 4.7741 0.0000 0.0000 61.9162 33.0276 174.1681 135 P 5.1526 0.0000 0.0000 62.0000 32.8754 176.1136 136 S 4.9660 8.6448 115.5524 57.5540 64.0527 173.3206 137 P 4.3062 0.0000 0.0000 65.9932 30.9368 179.0483 138 Q 4.1357 8.2638 116.3256 59.0930 28.7186 177.9113 139 Y 3.5376 8.1079 120.0323 60.5336 38.8185 177.8404 140 K 3.5984 8.0565 120.4795 59.4223 31.9245 178.5721 141 K 3.9104 7.9985 118.9419 59.4732 32.2648 178.4971 142 I 3.8650 7.5912 118.7527 64.4936 37.2826 177.9197 143 I 3.7850 7.4815 120.5363 64.6223 36.9566 179.8091 144 C 4.4398 7.9806 115.4441 60.0671 27.9140 176.1040 *146 G 3.8889 8.1276 111.2893 45.6566 0.0000 175.7969 147 A 4.0129 8.3316 123.5495 54.8794 18.9825 179.6733 148 K 4.1413 8.3513 116.4055 59.1052 32.5416 178.4376 149 E 3.8669 8.3629 117.8540 59.1905 29.4517 176.9847 150 N 4.5432 8.3086 113.1471 52.4452 38.6783 174.9517 151 G 3.8153 7.7658 105.5884 46.4276 0.0000 174.8647 152 L 4.0365 7.8817 118.3343 53.3151 42.6623 176.5198 153 P 4.0302 0.0000 0.0000 62.9016 33.0532 177.6440 154 L 3.9411 8.3512 120.8820 58.1478 41.4765 179.7778 155 E 3.9783 8.0626 117.9378 59.4738 29.3103 178.6931 156 Y 4.0528 7.6502 119.0593 60.6673 38.9117 177.1416 157 Q 3.9333 8.1996 119.0315 59.2825 28.9513 179.0815 158 E 3.9419 8.2286 119.2427 59.3487 29.2485 179.6327 159 K 3.9498 7.5181 117.4206 59.3832 32.4137 179.0897 160 L 4.0225 7.8593 119.5334 57.7285 41.2832 179.7697 161 K 4.0207 8.1254 117.5307 58.8228 32.0423 178.5533 162 A 4.2805 7.5178 118.8999 52.0793 18.8433 177.6968 163 I 3.5957 6.7762 118.7992 61.2062 37.5100 175.4341 164 E 4.0579 8.6521 127.0835 55.0205 29.8936 174.6458 165 P 4.6093 0.0000 0.0000 61.7264 32.5737 175.1744 166 N 4.7677 8.8551 117.3398 52.5960 38.4596 174.6012 167 D 4.9688 8.3054 116.2442 53.0133 39.9098 175.7135 168 Y 4.2853 8.2052 121.1561 59.5119 39.0606 175.8031 169 T 4.4083 7.6309 113.6765 60.8263 70.4288 174.7242 170 G 3.4472 5.8410 111.2377 44.8382 0.0000 172.8837 171 K 4.7898 8.3325 117.8618 54.8292 34.9494 175.6699 172 V 4.5714 8.1069 114.4413 59.2444 34.3675 176.4676 173 S 4.1946 8.2575 114.6142 59.3258 64.2815 174.8544 174 E 3.9432 8.7378 122.6719 59.8543 29.3255 179.5984 175 E 3.9685 8.0729 117.8085 59.5167 29.6301 179.4151 176 I 3.7785 7.5291 119.2215 64.5041 37.2635 178.2916 177 E 4.0613 8.5589 119.8058 59.5890 29.3053 179.3375 178 D 4.3646 8.2973 118.9150 57.2462 40.7025 178.5754 179 I 3.7252 7.6119 119.8760 64.6741 36.9452 178.4395 180 I 3.8510 7.6497 118.9334 64.3287 36.9998 178.3891 181 K 4.1446 7.7987 118.0108 59.4727 31.9985 179.1124 182 K 4.1728 7.8326 117.4306 59.3500 32.0630 177.2652 183 G 3.7530 7.6290 110.1193 45.7643 0.0000 173.0837 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 15 E 8.30 4.46 0.00 2.09 2.29 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 2.28 2.39 0.00 16 S 8.12 5.12 0.00 3.82 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 17 F 9.09 5.08 0.00 3.02 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 18 L 8.54 4.75 0.00 1.50 1.39 0.46 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 9.11 5.44 0.00 3.15 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 20 F 9.22 5.07 0.00 2.89 2.93 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 0.00 0.00 0.00 21 A 8.39 4.31 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 22 Y 7.71 4.68 0.00 3.05 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 23 G 6.88 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.51 4.00 0.00 4.06 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 25 N 8.09 4.69 0.00 2.84 2.93 0.00 0.00 7.18 6.74 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 26 L 7.90 4.12 0.00 1.69 1.82 1.02 1.01 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 27 L 7.79 4.61 0.00 1.82 1.59 1.01 0.85 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 28 T 9.10 3.82 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 1.28 0.00 0.00 29 E 8.16 3.99 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 30 R 7.76 4.06 0.00 2.06 2.18 0.00 3.39 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 31 I 7.53 3.80 1.35 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.75 -0.22 0.00 0.00 32 H 7.81 4.53 0.00 3.19 3.28 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.47 4.11 0.00 1.74 1.71 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.81 4.44 0.00 1.80 1.91 0.00 3.27 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 35 N 7.80 5.03 0.00 2.70 2.62 0.00 0.00 6.57 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.26 0.00 2.12 2.14 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 37 S 7.88 4.43 0.00 4.00 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 38 A 7.87 4.29 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 39 A 8.93 5.13 1.38 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 0.00 0.00 40 F 9.53 3.68 0.00 2.89 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 41 F 7.58 4.58 0.00 2.83 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 42 C 6.32 4.28 0.00 2.83 2.60 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 0.00 0.00 0.00 43 V 8.49 4.64 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 1.06 0.00 0.00 1.14 0.00 0.00 44 A 9.36 4.89 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 45 R 8.25 3.79 0.00 0.67 0.96 0.00 2.94 0.00 0.00 2.76 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 46 L 8.78 4.37 0.00 0.93 1.36 0.41 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.36 4.21 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.13 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 48 D 9.21 4.81 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.60 5.10 0.00 2.83 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 50 K 8.54 4.48 0.00 1.37 0.74 0.00 1.78 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.08 1.23 7.81 51 L 8.39 4.52 0.00 1.69 1.58 0.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 52 D 9.36 5.10 0.00 3.08 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 53 F 8.65 5.24 0.00 3.19 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 54 G 9.05 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.21 5.26 0.00 2.65 2.93 0.00 0.00 7.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.80 4.21 0.00 3.85 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 57 Q 10.02 3.45 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.13 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 58 G 8.11 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.42 4.46 0.00 1.83 1.75 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.58 7.81 60 T 8.32 4.23 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 1.17 0.00 0.00 61 S 8.77 4.03 0.00 3.87 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 62 Q 8.48 4.11 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 63 T 7.75 3.78 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 0.36 0.00 0.00 64 W 8.03 4.65 0.00 3.12 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 65 H 8.08 4.24 0.00 2.20 2.24 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.05 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 67 G 9.11 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 68 I 8.66 4.55 1.78 0.00 0.00 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 1.16 1.30 0.46 0.00 0.00 69 A 8.97 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.98 5.28 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 0.67 0.00 0.00 71 I 8.48 5.56 1.83 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.94 -0.00 0.00 0.00 72 F 7.99 5.22 0.00 3.09 3.23 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 0.00 73 Q 8.54 3.68 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 74 S 8.65 4.37 0.00 3.87 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 75 P 0.00 4.55 0.00 2.06 1.96 0.00 3.70 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 2.01 2.05 0.00 76 G 9.51 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 77 D 7.82 5.01 0.00 2.72 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 78 E 8.42 5.15 0.00 1.71 1.82 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 2.30 2.45 0.00 79 V 8.52 4.58 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 0.98 0.00 0.00 0.93 0.00 0.00 80 W 7.67 4.88 0.00 1.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.98 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 82 V 7.88 4.63 1.89 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 -0.36 0.00 0.00 0.94 0.00 0.00 83 V 8.52 4.51 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 0.91 0.00 0.00 1.05 0.00 0.00 84 W 9.30 5.12 0.00 3.37 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 85 K 9.50 4.78 0.00 1.83 1.75 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.08 7.81 *87 N 8.40 5.05 0.00 3.12 2.83 0.00 0.00 6.85 7.68 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 88 K 9.20 4.34 0.00 1.93 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.48 1.63 7.81 89 S 8.24 4.25 0.00 4.04 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 90 N 8.51 4.76 0.00 3.04 2.94 0.00 0.00 6.85 6.55 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 91 L 7.70 3.79 0.00 1.57 1.53 0.73 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.04 4.33 0.00 2.71 2.84 0.00 0.00 6.72 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 93 S 7.97 4.04 0.00 3.87 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 94 L 8.12 3.74 0.00 1.87 1.78 0.48 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.15 4.33 0.00 2.98 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 96 E 8.19 3.91 0.00 2.09 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 2.28 2.47 0.00 97 Q 7.94 3.96 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 98 E 7.54 3.96 0.00 1.37 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 1.59 1.47 0.00 99 G 7.99 3.96 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 1.06 0.00 0.00 109 E 8.65 5.16 0.00 1.94 1.82 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 2.15 2.27 0.00 110 V 8.62 4.53 1.70 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 0.33 0.00 0.00 0.65 0.00 0.00 111 K 8.45 4.89 0.00 1.52 1.62 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.37 7.81 112 V 8.77 4.35 1.57 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 -0.43 0.00 0.00 0.76 0.00 0.00 113 A 8.13 5.11 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 0.00 114 T 8.73 4.61 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 1.26 0.00 0.00 115 Q 8.66 4.19 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.23 0.00 0.00 0.00 0.00 0.00 2.67 2.80 0.00 116 E 8.24 4.29 0.00 1.93 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 2.27 2.36 0.00 117 G 8.32 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 0.00 118 K 7.71 4.30 0.00 1.76 1.73 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.37 7.81 119 E 8.68 4.74 0.00 1.93 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 2.25 0.00 120 I 8.68 4.61 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.88 0.00 0.00 121 T 8.47 4.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 122 C 9.13 5.15 0.00 2.77 2.95 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 0.00 123 R 9.12 4.60 0.00 1.96 2.06 0.00 2.78 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 124 S 8.42 4.90 0.00 4.11 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.38 0.95 0.00 0.00 143 I 7.48 3.79 1.65 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.10 0.90 0.00 0.00 144 C 7.98 4.44 0.00 3.08 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 *146 G 8.13 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 0.00 147 A 8.33 4.01 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 0.00 148 K 8.35 4.14 0.00 1.96 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.32 7.81 149 E 8.36 3.87 0.00 1.98 2.17 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 2.27 2.34 0.00 150 N 8.31 4.54 0.00 2.90 2.91 0.00 0.00 7.06 7.17 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 0.00 151 G 7.77 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 0.00 152 L 7.88 4.04 0.00 1.80 1.62 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.03 0.00 1.52 1.52 0.00 2.41 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.97 0.00 154 L 8.35 3.94 0.00 1.58 1.68 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.06 3.98 0.00 2.04 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 2.41 2.42 0.00 156 Y 7.65 4.05 0.00 2.86 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 0.00 157 Q 8.20 3.93 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 158 E 8.23 3.94 0.00 2.14 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 2.55 2.48 0.00 159 K 7.52 3.95 0.00 1.59 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.64 7.81 160 L 7.86 4.02 0.00 1.69 1.63 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.13 4.02 0.00 1.81 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 162 A 7.52 4.28 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 0.00 163 I 6.78 3.60 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 0.65 0.00 0.00 164 E 8.65 4.06 0.00 1.90 1.86 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 2.30 2.35 0.00 165 P 0.00 4.61 0.00 2.24 2.03 0.00 3.80 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 1.99 1.94 0.00 166 N 8.86 4.77 0.00 2.85 2.95 0.00 0.00 6.84 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.31 4.97 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 8.21 4.29 0.00 2.99 3.06 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 0.00 169 T 7.63 4.41 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 1.23 0.00 0.00 170 G 5.84 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.33 4.79 0.00 1.73 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 172 V 8.11 4.57 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 0.98 0.00 0.00 1.09 0.00 0.00 173 S 8.26 4.19 0.00 3.95 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 0.00 174 E 8.74 3.94 0.00 2.01 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 2.40 2.41 0.00 175 E 8.07 3.97 0.00 1.96 1.98 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 2.38 2.38 0.00 176 I 7.53 3.78 1.90 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 1.13 0.00 0.00 177 E 8.56 4.06 0.00 2.10 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 2.63 2.53 0.00 178 D 8.30 4.36 0.00 2.85 2.72 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 0.00 179 I 7.61 3.73 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.97 0.00 0.00 180 I 7.65 3.85 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 0.96 0.00 0.00 181 K 7.80 4.14 0.00 1.91 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 182 K 7.83 4.17 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.64 7.81 183 G 7.63 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 * Residues marked with a * may have inaccurate shift predictions.