NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.1539 8.4449 121.4521 55.6451 31.6010 176.3765 22 W 4.2848 7.6305 117.4231 53.8500 29.6375 173.4507 23 P 4.3845 0.0000 0.0000 63.0063 32.4928 175.3662 24 T 4.3089 8.0355 116.5573 62.9757 69.5968 173.8608 25 H 4.7396 8.6118 124.3181 54.4509 31.0205 174.4585 26 T 4.6024 8.5460 119.6915 63.7191 68.5850 174.1828 27 V 4.3147 8.7908 126.9458 64.4172 33.1447 175.4865 28 C 4.9258 7.6063 116.2769 55.2153 44.6558 173.6566 29 K 4.6980 8.4975 124.5292 55.5318 33.3902 174.0106 30 E 4.7545 9.2474 125.2908 53.4891 33.1497 176.5638 31 E 3.9014 8.8996 119.0089 59.3776 29.4907 177.7745 32 N 5.1146 8.0879 113.1500 52.3335 39.7296 173.1889 33 L 4.8980 8.0362 121.0132 53.8697 45.9015 174.4930 34 E 5.0162 9.1905 125.3176 54.7185 34.1837 174.6961 35 I 4.9420 8.2660 123.8500 60.0286 41.6607 173.8618 36 Y 5.4345 9.1526 123.8020 56.3707 42.4615 173.9997 37 Y 5.7456 8.6198 118.3989 54.1675 42.2336 174.0013 38 K 4.6578 8.2047 120.8154 54.3598 35.8247 175.1626 39 S 4.9080 8.8962 122.7196 58.7026 62.8251 172.3184 40 C 4.9267 8.9943 121.1612 55.2589 41.3611 172.8590 41 D 4.7881 8.2006 121.0552 52.8298 41.0143 175.4896 42 P 4.6336 0.0000 0.0000 65.5578 31.8020 177.7797 43 Q 4.3079 8.5939 118.5459 58.7692 28.7587 176.0060 44 Q 4.0867 7.6676 111.8451 55.1218 31.3939 173.0521 45 D 3.9633 6.6169 119.0741 53.1539 42.6611 174.2892 46 F 4.9379 7.4809 114.0796 55.8311 41.0326 173.0607 47 A 4.8921 8.9720 121.1562 50.5606 21.2740 175.9358 48 F 5.4128 8.6147 122.3477 57.3290 42.5685 173.2195 49 S 4.8222 8.9871 119.9873 56.7312 66.4521 172.1884 50 I 4.7056 8.1086 124.7668 59.5896 38.5748 175.5117 51 D 4.4871 9.0054 127.6036 56.7771 41.6806 176.8252 52 R 4.4065 7.8187 118.7186 53.7355 32.2337 175.6399 53 C 4.1812 9.0011 124.4428 60.1699 35.2518 176.1746 54 S 3.9677 8.0168 114.5339 60.8852 62.4723 175.8013 55 D 4.4659 8.1905 122.7974 56.9659 40.4759 178.5956 56 V 3.3096 7.7310 113.6125 64.3818 31.1686 178.3587 57 T 4.0590 7.6085 108.8335 64.0798 68.9785 175.6520 58 T 4.3139 8.2880 114.1259 62.0184 69.5381 176.7130 *59 H 4.4088 8.4255 117.5284 55.2809 27.2540 179.1946 60 T 5.2821 7.8012 114.7260 62.5504 70.7059 173.5783 61 F 5.0417 8.1672 120.1124 55.6854 42.0754 172.8660 62 D 5.2720 8.8540 120.1252 53.4645 42.6391 175.5745 63 I 4.8233 8.7293 115.5809 59.1032 41.7730 174.1873 64 R 5.2021 8.5862 120.7805 54.4685 33.4259 174.8284 65 A 5.3672 9.3416 123.8927 50.6859 23.3734 174.8330 66 A 4.9531 9.0605 121.4949 50.7453 23.0404 175.2253 67 M 4.7971 8.4143 117.5907 54.0462 35.1426 173.8737 68 V 4.0100 8.0420 120.6465 62.2551 32.7837 175.0278 69 L 4.2065 8.8298 131.0922 54.9865 42.6875 176.9081 70 R 4.5882 8.7399 124.0727 56.2843 31.0725 175.8355 71 Q 4.6890 7.6896 116.7461 53.5091 33.0203 175.0631 72 S 4.2680 8.8106 115.7857 58.7654 62.9311 174.0660 73 I 4.6641 7.9351 119.1787 59.9177 38.0201 176.6636 74 K 3.9305 7.8966 123.9622 60.2166 32.3582 176.1533 75 E 4.8071 8.4986 117.1856 54.2178 33.0110 175.0293 76 L 5.1448 8.2011 124.5216 53.4873 45.5410 174.6637 77 Y 5.2488 9.1636 123.1623 56.1054 41.8500 174.2845 78 A 5.2363 9.4370 124.5663 50.0090 22.4493 175.1559 79 K 4.8075 9.0747 122.2617 54.5054 35.5564 174.9751 80 V 4.6810 8.5476 127.3503 61.0398 34.4744 173.7145 81 D 5.3876 9.1130 127.4702 52.3807 44.3768 174.4277 82 L 5.1438 9.1468 125.6862 53.5650 44.1458 174.9434 83 I 5.0964 9.0970 127.3780 59.6248 40.7270 174.6993 84 I 4.7232 8.5240 127.0083 59.8341 40.9539 175.4960 85 N 4.3402 9.9705 125.9697 54.4228 35.9454 175.6686 86 G 3.9891 8.3824 104.3282 45.5017 0.0000 173.7697 87 K 4.4068 7.7540 120.2411 54.8061 33.4648 175.9392 88 T 4.5387 8.4549 120.7647 63.7563 67.9381 174.5324 89 V 4.1803 8.4650 120.9217 62.3023 32.9663 176.5513 90 L 4.6406 7.6149 121.1735 53.9662 45.4814 173.9061 91 S 5.2554 8.5888 119.4755 57.1155 65.6608 172.2750 92 Y 5.1139 9.0481 123.9559 55.6844 41.8543 173.9122 93 S 5.3020 8.8585 115.2121 56.8981 66.8157 173.1858 94 E 4.8038 9.3526 123.9762 54.7904 33.2804 174.2065 95 T 4.4911 8.6553 122.9788 63.2108 69.0677 174.3030 96 L 4.3605 9.0084 126.9331 56.2742 43.8009 176.2261 97 C 5.0630 7.7764 114.5308 54.5379 46.0658 173.9017 98 G 4.0074 8.2833 109.3758 45.3631 0.0000 170.3170 99 P 4.4472 0.0000 0.0000 63.8131 31.3153 177.0902 100 G 3.9694 8.9870 110.4840 46.1774 0.0000 173.2613 101 L 4.7348 7.9983 116.9287 54.1652 43.2696 176.2755 102 S 4.5592 8.1266 115.6041 57.8997 63.2170 174.2155 103 K 4.3171 8.6784 125.1112 56.2231 33.4164 176.6513 104 L 4.5736 7.1228 118.5143 52.1774 44.1776 177.2267 105 I 3.6236 8.2930 122.9309 63.9308 38.3645 176.6389 106 F 4.6001 7.7673 113.2174 57.3950 38.3131 175.7686 107 C 4.2262 7.3065 119.6170 59.1527 40.3985 174.4370 108 G 3.7895 8.8826 111.0285 44.9781 0.0000 174.1151 109 K 4.0776 7.5194 118.9949 56.5001 32.7943 177.0771 110 K 4.2860 8.3768 121.6125 55.1749 33.0764 176.4219 111 K 3.9493 8.4296 122.0721 58.5710 32.2542 177.0999 112 G 4.0186 9.0421 115.1993 45.0399 0.0000 173.5908 113 E 4.2799 7.9483 119.5789 56.5683 30.9656 175.7609 114 H 4.7864 8.7905 119.9749 55.0406 29.8244 174.4229 115 L 4.3779 8.8310 126.6899 53.8323 43.7926 174.7415 116 Y 5.0922 8.3804 122.5900 56.3054 41.2752 174.0215 117 Y 4.8796 9.1884 125.4103 55.7752 41.9893 173.9615 118 E 4.7636 9.2117 125.0511 53.6193 32.9675 176.0140 119 G 3.6636 7.5875 112.3573 44.4333 0.0000 169.3133 120 P 5.0234 0.0000 0.0000 62.2978 32.5573 175.9743 121 I 4.5294 8.3188 121.1112 59.8154 41.0601 174.5104 122 T 4.7599 8.3579 122.4677 61.7168 71.1162 173.3042 123 L 4.5045 8.4452 127.2363 52.9817 42.8764 177.8756 124 G 3.5149 8.3190 114.6760 45.6816 0.0000 173.7420 125 I 4.3325 7.3979 119.5348 58.8927 38.4495 175.7749 126 K 3.8506 8.1796 130.9339 59.1053 32.6279 177.4998 127 E 4.2366 7.8298 129.1098 54.7870 28.9293 178.5483 128 I 3.7573 8.1375 122.8387 58.9784 35.9118 172.5823 129 P 4.4020 0.0000 0.0000 61.8944 31.9438 177.3359 130 Q 4.4724 8.4708 122.3835 55.4167 30.8252 176.3354 131 R 4.2807 8.3229 111.2501 58.0665 27.9499 169.6678 132 D 5.7086 8.7406 114.6261 54.8492 42.8012 175.6263 133 Y 5.0535 8.4069 120.1691 56.5905 42.2826 173.3126 134 T 5.2512 9.2531 116.1805 61.8638 72.2953 173.3562 135 I 5.0877 8.9713 126.4434 60.0776 39.8650 174.5419 136 T 5.1137 8.8063 124.2159 61.9325 70.7230 173.6837 137 A 5.1329 9.1660 127.7502 50.0712 22.2629 174.7079 138 R 4.9348 9.0223 122.7926 54.4682 33.5473 173.8764 139 L 5.2899 8.7930 126.6358 53.5340 43.7999 175.7420 140 T 5.7938 9.2327 112.9362 59.1426 73.0767 172.8718 141 N 5.9797 8.5422 118.8576 50.2687 39.9600 174.5559 142 E 4.3146 8.9659 114.8119 59.5966 29.8244 177.2402 143 D 4.7275 8.8392 118.5410 53.4942 40.9827 177.1542 144 R 3.7561 8.0789 115.5146 56.7645 28.6204 176.2676 145 A 4.2113 7.6067 120.5326 51.9319 19.0321 177.7701 146 T 4.4882 8.3603 118.8744 63.6046 68.9521 174.7248 147 V 4.0865 8.8550 127.3313 64.8886 32.6322 175.7832 148 A 4.6067 7.6218 119.0434 51.2646 22.6882 175.9494 149 C 5.2200 8.4341 118.7468 55.5440 47.3198 172.6374 150 A 5.2481 9.2967 127.3013 50.4730 23.0847 174.2638 151 D 5.0399 8.7309 120.4689 53.0444 42.8459 175.7732 152 F 4.9920 9.6286 124.1644 56.5055 40.6217 175.1830 153 T 4.6458 9.0053 122.2573 62.5265 70.1506 174.2713 154 V 4.5217 8.7877 126.3057 60.8687 34.8791 174.4220 155 K 4.7057 9.2460 126.8653 54.5881 34.7238 174.4619 156 N 4.7627 8.7399 125.0125 51.7358 40.4800 173.3957 157 Y 5.1340 8.5871 122.6747 57.4427 39.4112 176.3569 158 L 4.1711 7.8485 125.8131 55.3760 41.7445 177.0507 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 21 E 8.44 4.15 0.00 1.74 1.66 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 1.88 2.18 0.00 22 W 7.63 4.28 0.00 3.37 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 23 P 0.00 4.38 0.00 1.95 1.99 0.00 4.20 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 24 T 8.04 4.31 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 1.13 0.00 0.00 25 H 8.61 4.74 0.00 1.94 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.55 4.60 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 1.18 0.00 0.00 27 V 8.79 4.31 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 0.99 0.00 0.00 1.48 0.00 0.00 28 C 7.61 4.93 0.00 2.76 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 29 K 8.50 4.70 0.00 1.63 1.66 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.48 7.81 30 E 9.25 4.75 0.00 2.08 1.99 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 2.12 2.17 0.00 31 E 8.90 3.90 0.00 1.96 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 0.00 2.35 2.40 0.00 32 N 8.09 5.11 0.00 2.78 2.78 0.00 0.00 6.42 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 33 L 8.04 4.90 0.00 1.65 1.37 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.19 5.02 0.00 1.78 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 35 I 8.27 4.94 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.98 0.00 0.00 36 Y 9.15 5.43 0.00 2.85 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 37 Y 8.62 5.75 0.00 2.17 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 38 K 8.20 4.66 0.00 1.72 1.60 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.64 7.81 39 S 8.90 4.91 0.00 3.79 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 40 C 8.99 4.93 0.00 3.04 3.20 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 41 D 8.20 4.79 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 42 P 0.00 4.63 0.00 2.28 2.22 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 43 Q 8.59 4.31 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 44 Q 7.67 4.09 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 45 D 6.62 3.96 0.00 1.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.48 4.94 0.00 3.12 2.85 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 47 A 8.97 4.89 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 48 F 8.61 5.41 0.00 3.04 2.41 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 49 S 8.99 4.82 0.00 3.88 3.56 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 0.00 0.00 0.00 0.00 50 I 8.11 4.71 1.86 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 1.46 0.83 0.92 0.00 0.00 51 D 9.01 4.49 0.00 2.58 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 52 R 7.82 4.41 0.00 1.78 1.90 0.00 3.39 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 53 C 9.00 4.18 0.00 3.11 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 S 8.02 3.97 0.00 4.04 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 55 D 8.19 4.47 0.00 3.00 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 56 V 7.73 3.31 1.75 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 0.01 0.00 0.00 0.85 0.00 0.00 57 T 7.61 4.06 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 1.22 0.00 0.00 58 T 8.29 4.31 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 1.29 0.00 0.00 *59 H 8.43 4.41 0.00 3.05 3.21 0.00 7.14 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.80 5.28 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 1.21 0.00 0.00 61 F 8.17 5.04 0.00 3.09 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 62 D 8.85 5.27 0.00 2.65 2.71 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 63 I 8.73 4.82 1.43 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.99 0.00 0.00 64 R 8.59 5.20 0.00 1.68 1.82 0.00 3.24 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 65 A 9.34 5.37 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 66 A 9.06 4.95 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 67 M 8.41 4.80 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 68 V 8.04 4.01 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 0.64 0.00 0.00 0.64 0.00 0.00 69 L 8.83 4.21 0.00 1.78 1.54 0.85 0.77 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 70 R 8.74 4.59 0.00 1.71 1.93 0.00 3.37 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 71 Q 7.69 4.69 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 72 S 8.81 4.27 0.00 3.83 3.78 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 73 I 7.94 4.66 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.91 0.00 0.00 74 K 7.90 3.93 0.00 2.11 2.09 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.32 7.81 75 E 8.50 4.81 0.00 2.11 1.48 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 2.19 2.22 0.00 76 L 8.20 5.14 0.00 1.64 1.30 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 9.16 5.25 0.00 2.88 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 78 A 9.44 5.24 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 79 K 9.07 4.81 0.00 1.76 1.59 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.28 7.81 80 V 8.55 4.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.60 0.00 0.00 81 D 9.11 5.39 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.15 5.14 0.00 1.73 1.54 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.10 5.10 1.95 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 1.27 0.68 1.03 0.00 0.00 84 I 8.52 4.72 1.92 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 1.33 0.99 0.98 0.00 0.00 85 N 9.97 4.34 0.00 2.87 2.90 0.00 0.00 7.21 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 86 G 8.38 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 87 K 7.75 4.41 0.00 2.09 1.75 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 88 T 8.45 4.54 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 1.23 0.00 0.00 89 V 8.46 4.18 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 0.68 0.00 0.00 0.96 0.00 0.00 90 L 7.61 4.64 0.00 1.71 1.48 0.96 0.97 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 91 S 8.59 5.26 0.00 3.91 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 0.00 92 Y 9.05 5.11 0.00 2.95 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 93 S 8.86 5.30 0.00 3.78 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 94 E 9.35 4.80 0.00 2.21 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 2.33 0.00 95 T 8.66 4.49 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 1.05 0.00 0.00 96 L 9.01 4.36 0.00 1.53 1.55 0.87 0.61 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 97 C 7.78 5.06 0.00 2.75 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 98 G 8.28 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 99 P 0.00 4.45 0.00 2.05 2.03 0.00 3.80 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 2.04 2.09 0.00 100 G 8.99 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 0.00 101 L 8.00 4.73 0.00 1.54 1.57 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.13 4.56 0.00 3.79 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 0.00 103 K 8.68 4.32 0.00 1.70 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.31 7.81 104 L 7.12 4.57 0.00 0.77 0.52 0.47 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.29 3.62 1.87 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 1.49 0.65 0.99 0.00 0.00 106 F 7.77 4.60 0.00 3.26 3.40 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 0.00 107 C 7.31 4.23 0.00 2.95 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 0.00 108 G 8.88 3.79 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 0.00 0.00 0.00 109 K 7.52 4.08 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.84 1.60 7.81 110 K 8.38 4.29 0.00 1.80 1.73 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.38 7.81 111 K 8.43 3.95 0.00 1.71 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.36 7.81 112 G 9.04 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 0.00 0.00 0.00 113 E 7.95 4.28 0.00 1.96 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 2.50 2.51 0.00 114 H 8.79 4.79 0.00 3.15 3.18 0.00 5.70 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 0.00 115 L 8.83 4.38 0.00 1.41 1.35 0.54 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.38 5.09 0.00 2.88 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 Y 9.19 4.88 0.00 3.06 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 0.00 118 E 9.21 4.76 0.00 1.65 1.65 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 2.15 2.23 0.00 119 G 7.59 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 0.00 120 P 0.00 5.02 0.00 2.05 2.11 0.00 3.33 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 121 I 8.32 4.53 1.15 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.56 0.00 0.00 122 T 8.36 4.76 4.18 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 1.22 0.00 0.00 123 L 8.45 4.50 0.00 1.70 1.77 1.15 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.32 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.40 4.33 1.91 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 1.43 0.87 0.92 0.00 0.00 126 K 8.18 3.85 0.00 1.69 1.70 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 127 E 7.83 4.24 0.00 2.03 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 2.21 1.87 0.00 128 I 8.14 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.91 0.00 0.00 129 P 0.00 4.40 0.00 1.24 1.72 0.00 3.22 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.71 0.00 130 Q 8.47 4.47 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 5.81 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 131 R 8.32 4.28 0.00 1.90 1.97 0.00 3.20 0.00 0.00 3.17 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 132 D 8.74 5.71 0.00 2.65 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 0.00 133 Y 8.41 5.05 0.00 3.22 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 0.00 134 T 9.25 5.25 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 1.33 0.00 0.00 135 I 8.97 5.09 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.32 1.01 0.00 0.00 136 T 8.81 5.11 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 1.30 0.00 0.00 137 A 9.17 5.13 1.30 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 0.00 138 R 9.02 4.93 0.00 1.84 1.73 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 139 L 8.79 5.29 0.00 1.66 1.53 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 T 9.23 5.79 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 1.23 0.00 0.00 141 N 8.54 5.98 0.00 3.02 3.06 0.00 0.00 6.47 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 0.00 142 E 8.97 4.31 0.00 2.16 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 0.00 2.32 2.33 0.00 143 D 8.84 4.73 0.00 2.85 2.71 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 0.00 144 R 8.08 3.76 0.00 2.23 2.00 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 145 A 7.61 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.36 4.49 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 1.25 0.00 0.00 147 V 8.85 4.09 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 0.67 0.00 0.00 0.93 0.00 0.00 148 A 7.62 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 C 8.43 5.22 0.00 2.99 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 0.00 150 A 9.30 5.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.73 5.04 0.00 2.61 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 0.00 152 F 9.63 4.99 0.00 3.09 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 0.00 153 T 9.01 4.65 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 1.26 0.00 0.00 154 V 8.79 4.52 0.70 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 0.56 0.00 0.00 0.75 0.00 0.00 155 K 9.25 4.71 0.00 1.39 1.18 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.33 7.81 156 N 8.74 4.76 0.00 2.75 2.76 0.00 0.00 6.80 6.86 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 0.00 157 Y 8.59 5.13 0.00 2.99 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 0.00 158 L 7.85 4.17 0.00 1.71 1.63 0.90 0.88 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 * Residues marked with a * may have inaccurate shift predictions.