NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4942 8.3033 118.6713 56.3571 31.9805 174.2722 4 K 4.8019 8.6579 122.0840 53.3493 36.2046 174.1905 5 Y 4.4205 9.8188 127.0421 55.8982 40.1643 174.0487 6 I 3.9412 7.7948 127.7688 60.8453 38.1049 175.7719 7 V 4.1762 7.9329 127.4823 61.1465 33.2219 175.5025 8 T 4.1812 8.1877 118.4054 60.2476 70.4442 175.8536 9 W 4.2692 8.6767 121.4116 60.0572 28.9827 178.3275 10 D 4.4559 8.3344 118.2690 57.8867 40.3264 178.8030 11 M 4.0058 7.7723 118.3692 58.1653 31.8705 178.5470 12 L 4.0456 8.0257 120.5544 58.3300 42.3010 178.8598 13 Q 4.0225 8.4606 119.5933 59.1476 29.0699 178.3265 14 I 3.7000 7.6473 120.9189 64.7483 37.2606 178.1488 15 H 4.2503 8.2057 116.8392 58.7440 28.4777 177.7710 16 A 3.9913 8.2892 122.8405 55.2614 18.2107 179.9646 17 R 3.9401 8.1108 116.5887 59.1613 29.8701 179.4285 18 K 4.0373 7.7440 117.4298 59.1220 32.4193 178.8320 19 L 4.0517 7.8191 120.4360 57.8867 41.8067 178.7656 20 A 4.0363 8.1695 121.1023 55.0498 18.0568 179.7241 21 S 4.1142 7.7763 111.5312 61.3371 63.4647 176.4604 22 R 4.2279 7.8269 121.3330 58.3414 29.7967 177.7651 23 L 4.5807 7.3210 115.9823 54.7761 42.0135 177.0235 24 M 4.4024 7.0303 118.3941 54.2867 32.6585 174.6204 25 P 4.5777 0.0000 0.0000 62.3152 32.3094 176.7157 26 S 4.7485 8.4133 112.7424 59.5105 63.6726 176.1328 27 E 3.9491 7.9747 120.6779 59.1034 29.3700 177.6808 28 Q 3.8381 7.6112 114.5677 56.6159 28.9798 175.5415 29 W 5.1496 7.1109 119.6710 55.0297 31.0629 176.0357 30 K 3.9217 9.2016 124.0663 59.3600 32.3588 176.9744 31 G 3.9334 6.2145 103.8439 45.9684 0.0000 171.7393 32 I 5.0680 8.4730 120.1204 59.5017 40.9737 175.0471 33 I 4.7454 9.1453 127.6081 59.6751 39.1688 174.3411 34 A 4.8377 8.8244 130.3841 50.4936 21.0463 176.2890 35 V 4.0541 8.6771 123.5154 61.6929 32.0428 175.1396 36 S 4.4439 8.4230 123.6171 58.6172 62.6273 174.1247 37 R 4.3904 8.7013 124.1671 56.5986 31.8094 178.5542 38 G 3.6633 7.6887 105.9038 47.7832 0.0000 174.5456 39 G 3.8124 8.4640 107.4013 46.0641 0.0000 175.5468 40 L 3.8468 7.7175 120.9168 57.7385 41.6183 179.4884 41 V 3.5779 7.2573 117.4604 65.7114 31.6649 176.1947 42 P 4.4619 0.0000 0.0000 65.4098 31.1871 178.8981 43 G 3.5501 8.3351 104.7020 47.5950 0.0000 175.7160 44 A 4.0322 8.1168 123.1979 54.9391 18.3664 179.7848 45 L 4.0067 8.0392 117.6110 57.8659 41.7051 179.7258 46 L 3.9794 8.0657 118.8671 57.5956 41.5469 179.3038 47 A 4.0348 8.1071 120.8442 54.9930 18.0457 179.7568 48 R 3.8002 7.6465 115.9066 59.7443 30.3497 177.8002 49 E 4.1157 7.9280 116.8618 59.3044 29.5495 178.3952 50 L 4.1769 8.3976 117.2239 55.1187 42.0378 177.4386 51 G 3.8165 7.9406 106.3578 46.3500 0.0000 173.2864 52 I 4.1447 7.7769 120.5166 60.0717 37.7376 175.9781 53 R 4.1647 8.5114 125.2128 57.3493 30.7417 175.6187 54 H 4.5708 7.9901 118.1032 55.1795 29.8055 172.6533 55 V 4.7928 8.0926 123.7675 60.8590 33.6620 173.6196 56 D 5.2120 9.5481 127.4815 52.6010 44.8986 173.9822 57 T 5.3240 8.2382 109.2144 59.9297 72.5172 174.0085 58 V 4.4742 8.5069 121.0701 60.4561 34.4849 174.1477 59 C 4.8470 9.0898 125.2229 58.2530 29.6378 173.2343 60 I 4.9935 8.4024 119.8825 59.9018 39.5801 175.5709 61 S 4.8436 8.7302 126.3672 57.6877 64.1546 170.2447 62 S 5.0811 8.6570 119.7423 57.1546 65.7362 173.2704 *63 Y 4.6296 8.6308 125.5041 55.3838 39.5157 171.0000 64 D 4.7556 8.7247 125.2369 53.3037 42.2597 176.5794 65 H 4.8031 9.2253 121.5860 54.1825 30.1405 175.4167 66 D 4.5684 9.0557 126.9936 54.3966 38.5837 174.3300 67 N 4.9439 9.1650 120.2984 52.8304 39.3031 174.8486 68 Q 4.5939 8.0395 119.7883 54.4644 32.0499 173.8187 69 R 4.8812 8.5523 125.0806 55.4866 32.3785 176.4413 70 E 4.7153 8.8575 121.2740 54.8214 32.1340 173.7286 71 L 5.4100 8.6048 127.9002 53.6570 43.5002 176.8409 72 K 4.6796 8.9194 126.0154 54.3075 36.5453 175.8731 73 V 4.1327 8.3801 123.4757 59.9827 31.3210 174.7796 74 L 4.2359 8.6982 128.3156 56.4207 42.3413 178.2781 75 K 4.6434 7.8568 118.8937 54.8536 35.7738 174.8698 76 R 4.9804 8.5669 126.3650 54.3309 33.1019 174.2526 77 A 4.3857 8.8615 130.7023 51.6641 19.1686 178.0535 78 E 3.8723 8.9242 119.3935 56.6707 30.3189 172.6543 79 G 3.9682 8.0604 108.0458 43.3243 0.0000 172.9352 80 D 4.7665 8.6446 116.2060 52.4159 40.5238 177.1016 81 G 3.8496 8.3693 108.0812 45.9296 0.0000 172.6089 82 E 4.4574 8.3428 120.5534 57.5736 29.5947 176.8066 83 G 4.0773 9.4488 114.6286 45.4103 0.0000 171.6492 84 F 5.3352 8.5573 117.9727 55.6060 42.7498 174.5997 85 I 4.3308 8.0830 121.4928 59.7187 39.0979 175.0010 86 V 4.6110 8.4331 128.5906 61.5886 32.7998 174.3418 87 I 5.3125 8.6580 128.7362 58.4348 40.9143 173.6684 88 D 5.1491 8.1438 126.6856 52.3924 44.7492 175.5844 89 D 4.6548 8.9329 123.1950 56.3234 40.4152 175.6895 90 L 5.1964 7.9057 116.1743 54.7505 43.9186 174.8268 91 V 3.9812 8.2011 118.0655 60.6271 33.5463 174.0526 92 D 4.6067 9.1847 126.0010 54.6889 42.4035 176.5522 93 T 4.1067 7.8035 113.9918 62.2609 70.3349 176.3326 94 G 3.9907 8.4171 110.3145 45.0536 0.0000 175.0997 95 G 3.6846 8.0033 107.6653 48.2733 0.0000 176.1943 96 T 3.9121 7.8802 117.7700 66.0699 68.5455 176.4144 97 A 3.6396 8.0476 122.2457 55.1560 18.2441 179.5952 98 V 3.4129 7.8733 116.2992 66.1000 31.4693 178.1012 99 A 3.9393 7.5609 119.3226 55.2407 18.1380 179.6796 100 I 3.6437 7.8189 118.5097 64.5282 36.6131 178.7195 101 R 3.7702 7.9152 119.4939 59.2309 29.5924 178.3311 102 E 4.0375 7.5699 117.8919 59.0071 29.5210 178.4994 103 M 4.0165 7.3099 118.2386 56.5059 33.6428 176.3137 104 Y 4.8233 7.8494 116.2771 55.3447 38.3577 174.2046 105 P 4.4182 0.0000 0.0000 64.6240 32.1604 178.3579 106 K 4.4192 7.9851 116.1220 56.1854 32.0195 175.9162 107 A 4.9800 7.5763 121.1826 50.9172 21.3296 177.7012 108 H 4.8671 8.8952 120.6776 55.1313 30.4130 173.4534 109 F 5.0543 9.2532 129.1214 57.6977 40.4018 174.6325 110 V 4.8404 8.3582 119.1720 59.8779 36.4048 174.4663 111 T 5.4284 8.0438 111.1075 59.9338 72.5393 174.9082 112 I 3.6526 8.3879 121.5105 63.7246 38.2726 176.1021 113 F 5.4164 7.9125 119.7749 55.9042 42.0992 174.8692 114 A 4.6392 8.4203 122.6786 50.8238 22.4697 176.5131 115 K 5.0098 8.5500 122.5753 54.3383 33.6120 176.5822 116 P 4.1158 0.0000 0.0000 65.9178 31.4863 178.2883 117 A 4.0584 8.6875 120.6281 55.3049 18.4455 178.7801 118 G 3.8503 7.8879 102.2960 46.0482 0.0000 175.3562 119 R 3.6390 7.7626 121.0688 58.8323 30.0742 176.3238 120 P 4.4203 0.0000 0.0000 63.7962 31.7448 176.9153 121 L 4.3060 7.6780 117.9689 56.2463 42.1148 177.5948 122 V 4.5405 7.0366 111.4221 60.4879 32.6971 175.9805 123 D 4.6644 9.0764 123.5702 57.4538 41.5966 176.3188 124 D 4.7700 7.8402 115.1604 53.6974 44.6573 173.8508 125 Y 5.8418 7.8797 120.7934 56.7355 40.9843 173.7458 126 V 4.0103 8.5712 116.5747 64.0389 33.4296 175.5799 127 V 4.5140 7.9631 120.4413 61.0522 34.1556 173.7116 128 D 5.2765 8.7447 126.9569 53.6471 42.1972 175.9267 129 I 4.5063 8.0899 123.1501 58.6344 41.5309 173.6786 130 P 4.6351 0.0000 0.0000 62.3914 32.0414 177.5497 131 Q 4.0115 8.6209 120.2269 59.1656 28.7340 177.9514 132 D 4.4984 7.9829 115.2307 55.3483 39.9209 175.9870 133 T 4.3783 7.3579 117.5616 62.5335 69.5062 174.0853 134 W 4.5744 8.5441 135.0000 56.4732 32.3437 174.9639 135 I 4.2829 7.3364 128.3251 60.2940 37.6405 175.1218 136 E 4.2006 8.6753 130.0965 54.6277 30.2557 175.7253 137 Q 3.7333 7.8954 126.3645 54.4081 29.8689 175.8314 138 P 3.5990 0.0000 0.0000 65.0378 31.1909 178.7972 139 W 4.5355 6.6195 113.1686 58.4206 28.2596 176.1847 140 D 4.7397 7.2909 117.3493 54.5108 40.8441 175.3616 141 M 4.7229 7.0072 118.5982 53.7259 34.9023 174.6818 142 G 3.9898 7.8584 105.2824 45.2733 0.0000 173.9362 143 V 3.9372 8.4221 121.2004 61.8016 30.6926 175.4717 144 V 4.6267 7.8051 119.1789 58.6760 35.5612 175.4886 145 F 4.1769 8.7882 123.3363 58.3928 39.6166 174.4019 146 V 4.0329 7.0217 126.4425 59.8816 33.5145 173.3614 147 P 4.2089 0.0000 0.0000 61.8938 31.8332 174.6175 148 P 4.3963 0.0000 0.0000 62.3663 32.0100 176.7317 149 I 3.8157 8.4765 122.4768 63.7295 37.2137 176.6122 150 S 4.8354 7.8305 111.9307 56.5218 65.4789 173.3570 151 G 4.0706 8.3815 108.9913 45.5318 0.0000 173.8867 152 R 4.0519 7.9566 125.5625 56.2193 30.1165 176.0891 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 3 E 8.30 4.49 0.00 1.68 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.92 0.00 4 K 8.66 4.80 0.00 1.69 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.57 7.81 5 Y 9.82 4.42 0.00 2.94 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 6 I 7.79 3.94 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.81 0.75 0.00 0.00 7 V 7.93 4.18 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 0.91 0.00 0.00 0.63 0.00 0.00 8 T 8.19 4.18 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 9 W 8.68 4.27 0.00 3.43 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 0.00 10 D 8.33 4.46 0.00 2.73 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 11 M 7.77 4.01 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.03 4.05 0.00 1.83 1.97 1.09 1.06 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 13 Q 8.46 4.02 0.00 2.37 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.65 3.70 1.93 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 1.51 1.04 0.88 0.00 0.00 15 H 8.21 4.25 0.00 3.21 3.14 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 16 A 8.29 3.99 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.11 3.94 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 18 K 7.74 4.04 0.00 1.90 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.48 7.81 19 L 7.82 4.05 0.00 1.72 1.77 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.17 4.04 1.37 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 21 S 7.78 4.11 0.00 4.04 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 22 R 7.83 4.23 0.00 2.07 2.03 0.00 3.13 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 23 L 7.32 4.58 0.00 1.78 1.82 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 M 7.03 4.40 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.90 0.00 25 P 0.00 4.58 0.00 1.96 2.03 0.00 3.56 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 1.95 2.03 0.00 26 S 8.41 4.75 0.00 4.14 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 27 E 7.97 3.95 0.00 1.87 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 2.32 0.00 28 Q 7.61 3.84 0.00 1.46 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 29 W 7.11 5.15 0.00 3.18 2.94 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 30 K 9.20 3.92 0.00 0.79 1.47 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 31 G 6.21 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 32 I 8.47 5.07 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.91 0.00 0.00 33 I 9.15 4.75 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.54 0.00 0.00 34 A 8.82 4.84 1.23 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 0.00 0.00 35 V 8.68 4.05 2.30 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 1.04 0.00 0.00 1.09 0.00 0.00 36 S 8.42 4.44 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.70 4.39 0.00 1.81 1.78 0.00 3.16 0.00 0.00 3.34 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 38 G 7.69 3.66 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 0.00 0.00 0.00 39 G 8.46 3.81 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 0.00 0.00 0.00 40 L 7.72 3.85 0.00 1.61 1.61 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.26 3.58 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 1.49 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.46 0.00 2.20 2.10 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 43 G 8.34 3.55 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 0.00 0.00 0.00 44 A 8.12 4.03 1.40 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 0.00 0.00 0.00 45 L 8.04 4.01 0.00 1.92 1.75 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.07 3.98 0.00 1.79 1.63 0.79 0.65 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 47 A 8.11 4.03 1.42 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 0.00 0.00 48 R 7.65 3.80 0.00 1.97 2.13 0.00 3.44 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 49 E 7.93 4.12 0.00 2.01 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 2.58 2.43 0.00 50 L 8.40 4.18 0.00 1.67 1.78 0.86 1.07 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 51 G 7.94 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 52 I 7.78 4.14 1.86 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 1.32 0.89 0.94 0.00 0.00 53 R 8.51 4.16 0.00 1.77 1.96 0.00 3.23 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 54 H 7.99 4.57 0.00 3.33 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.09 4.79 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 0.83 0.00 0.00 0.93 0.00 0.00 56 D 9.55 5.21 0.00 2.75 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 57 T 8.24 5.32 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 1.19 0.00 0.00 58 V 8.51 4.47 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 0.84 0.00 0.00 1.14 0.00 0.00 59 C 9.09 4.85 0.00 2.90 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 60 I 8.40 4.99 1.89 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 1.24 0.69 0.93 0.00 0.00 61 S 8.73 4.84 0.00 3.48 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 62 S 8.66 5.08 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 Y 8.63 4.63 0.00 2.01 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 0.00 0.00 0.00 0.00 64 D 8.72 4.76 0.00 2.54 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 65 H 9.23 4.80 0.00 3.09 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 9.06 4.57 0.00 2.86 2.59 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 67 N 9.16 4.94 0.00 2.79 2.88 0.00 0.00 5.64 7.39 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 68 Q 8.04 4.59 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 69 R 8.55 4.88 0.00 1.72 1.81 0.00 3.21 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 70 E 8.86 4.72 0.00 1.64 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 2.13 2.08 0.00 71 L 8.60 5.41 0.00 1.65 1.63 0.91 0.37 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 72 K 8.92 4.68 0.00 1.42 1.63 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.25 7.81 73 V 8.38 4.13 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 0.90 0.00 0.00 0.93 0.00 0.00 74 L 8.70 4.24 0.00 1.55 1.76 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.86 4.64 0.00 1.75 1.59 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81 76 R 8.57 4.98 0.00 1.82 1.74 0.00 3.22 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 77 A 8.86 4.39 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 78 E 8.92 3.87 0.00 2.00 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 2.23 1.89 0.00 79 G 8.06 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 80 D 8.64 4.77 0.00 2.83 2.87 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 81 G 8.37 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.34 4.46 0.00 2.29 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 2.39 2.40 0.00 83 G 9.45 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.56 5.34 0.00 3.18 2.94 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 85 I 8.08 4.33 1.53 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.33 0.61 0.00 0.00 86 V 8.43 4.61 2.37 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 1.21 0.00 0.00 0.83 0.00 0.00 87 I 8.66 5.31 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.45 0.87 0.00 0.00 88 D 8.14 5.15 0.00 2.91 2.43 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 89 D 8.93 4.65 0.00 3.13 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 90 L 7.91 5.20 0.00 1.64 1.82 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.20 3.98 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 0.63 0.00 0.00 0.99 0.00 0.00 92 D 9.18 4.61 0.00 2.60 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 93 T 7.80 4.11 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 1.23 0.00 0.00 94 G 8.42 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 0.00 0.00 0.00 95 G 8.00 3.68 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 0.00 0.00 0.00 96 T 7.88 3.91 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 1.26 0.00 0.00 97 A 8.05 3.64 1.42 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 0.00 0.00 98 V 7.87 3.41 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 0.96 0.00 0.00 0.99 0.00 0.00 99 A 7.56 3.94 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 0.00 100 I 7.82 3.64 1.50 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.93 0.87 0.00 0.00 101 R 7.92 3.77 0.00 1.83 1.94 0.00 3.16 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 102 E 7.57 4.04 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 103 M 7.31 4.02 0.00 1.10 1.80 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 2.66 2.36 0.00 104 Y 7.85 4.82 0.00 2.95 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 0.00 105 P 0.00 4.42 0.00 2.19 2.25 0.00 3.42 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 106 K 7.99 4.42 0.00 2.04 1.96 0.00 2.10 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.43 7.81 107 A 7.58 4.98 1.45 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 0.00 108 H 8.90 4.87 0.00 3.56 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.25 5.05 0.00 3.18 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 0.00 110 V 8.36 4.84 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 0.53 0.00 0.00 0.76 0.00 0.00 111 T 8.04 5.43 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 0.90 0.00 0.00 112 I 8.39 3.65 1.67 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 1.27 0.92 -0.03 0.00 0.00 113 F 7.91 5.42 0.00 2.93 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 0.00 114 A 8.42 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.55 5.01 0.00 1.84 1.80 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.27 7.81 116 P 0.00 4.12 0.00 2.01 2.10 0.00 3.86 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 2.00 2.06 0.00 117 A 8.69 4.06 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 0.00 118 G 7.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.76 3.64 0.00 1.90 1.97 0.00 3.19 0.00 0.00 2.92 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.24 0.00 120 P 0.00 4.42 0.00 2.10 2.10 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 2.02 2.11 0.00 121 L 7.68 4.31 0.00 1.85 1.76 0.95 0.95 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 0.00 122 V 7.04 4.54 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 0.72 0.00 0.00 1.05 0.00 0.00 123 D 9.08 4.66 0.00 2.56 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 0.00 124 D 7.84 4.77 0.00 2.75 2.38 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 0.00 125 Y 7.88 5.84 0.00 2.89 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 0.00 126 V 8.57 4.01 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 0.69 0.00 0.00 0.85 0.00 0.00 127 V 7.96 4.51 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 0.62 0.00 0.00 128 D 8.74 5.28 0.00 2.65 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 0.00 129 I 8.09 4.51 1.69 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.63 0.00 0.00 130 P 0.00 4.64 0.00 2.14 1.94 0.00 3.47 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 2.07 2.06 0.00 131 Q 8.62 4.01 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 132 D 7.98 4.50 0.00 2.80 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 0.00 133 T 7.36 4.38 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 0.00 134 W 8.54 4.57 0.00 3.45 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 0.00 135 I 7.34 4.28 1.28 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.29 0.20 0.00 0.00 136 E 8.68 4.20 0.00 2.10 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 0.00 2.19 2.20 0.00 137 Q 7.90 3.73 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.66 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 138 P 0.00 3.60 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 139 W 6.62 4.54 0.00 3.46 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 0.00 140 D 7.29 4.74 0.00 2.67 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 0.00 141 M 7.01 4.72 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 142 G 7.86 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 0.00 0.00 0.00 143 V 8.42 3.94 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 0.87 0.00 0.00 1.00 0.00 0.00 144 V 7.81 4.63 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 0.82 0.00 0.00 0.96 0.00 0.00 145 F 8.79 4.18 0.00 2.98 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 0.00 146 V 7.02 4.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.88 0.00 0.00 147 P 0.00 4.21 0.00 2.04 2.03 0.00 3.61 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 2.06 2.26 0.00 148 P 0.00 4.40 0.00 2.33 1.98 0.00 3.73 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 2.07 2.13 0.00 149 I 8.48 3.82 1.85 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 1.44 0.71 0.90 0.00 0.00 150 S 7.83 4.84 0.00 3.93 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 0.00 151 G 8.38 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 0.00 152 R 7.96 4.05 0.00 1.79 1.83 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.