NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3812 8.1076 123.5835 51.9676 19.1193 177.4001 2 P 4.5833 0.0000 0.0000 62.1133 31.6948 171.7188 3 V 4.6401 8.8321 115.0665 60.7620 35.6091 176.1497 4 R 4.6246 8.2918 118.3863 55.4271 33.4757 175.7254 5 S 4.5373 8.7551 120.1078 57.4329 64.9059 174.0137 6 L 4.4178 8.9041 123.3298 54.1021 44.7935 174.4277 7 N 5.0172 8.9019 124.9522 53.4461 40.1587 174.0045 8 C 4.8561 8.6870 114.8482 57.8558 33.3394 173.4278 9 T 5.0319 8.1163 111.8094 60.6374 71.3458 173.1265 10 L 5.2276 8.5664 120.5695 52.9788 45.4035 175.7797 11 R 5.1758 9.1281 123.4319 54.4877 33.7709 174.8531 12 D 4.5184 8.8359 125.4093 51.9810 40.6095 177.2822 13 S 4.1052 8.1038 113.1795 60.2153 62.8085 174.5021 14 Q 4.1823 7.8648 121.4728 55.7966 28.9052 175.6019 15 Q 3.9199 8.3362 117.0211 56.4911 28.8181 173.0944 16 K 4.3678 8.6742 116.4935 56.8209 33.9223 176.3172 17 S 5.2511 8.3942 118.7997 57.1124 66.3841 172.7517 18 L 5.1646 8.0273 120.8944 53.6527 43.6331 176.5320 19 V 4.6192 9.0161 116.4824 59.6335 35.7595 175.4829 20 M 4.7255 8.6364 122.2378 54.5339 29.9696 175.7875 21 S 4.1889 8.4757 121.6609 60.6373 63.0386 173.4730 22 G 4.2306 7.6272 106.6737 42.9148 0.0000 170.4808 23 P 4.0672 0.0000 0.0000 65.3209 31.1927 179.1180 24 Y 4.8935 7.3691 114.1234 57.3160 38.9961 175.7811 25 E 4.7857 7.9707 117.7390 54.7813 34.0343 174.5715 26 L 5.3611 8.4523 121.8090 52.9906 45.9399 175.4264 27 K 5.1046 9.3605 119.6027 54.7573 36.6891 175.1400 28 A 5.3449 8.5078 126.2677 50.4153 20.9764 175.9207 29 L 4.6660 8.3690 121.4895 54.8791 44.9271 174.4731 30 H 4.5290 8.8304 116.2691 55.8009 28.7785 175.0150 31 L 4.6175 8.2822 125.7639 53.1693 43.6672 175.0556 32 Q 4.3492 8.6138 125.0449 56.2391 32.1598 173.9348 33 G 3.9193 8.5265 109.7210 44.7387 0.0000 173.9591 34 Q 4.2844 8.4858 115.7942 59.1438 28.1118 177.5148 35 D 4.4862 8.0632 118.6269 56.0002 41.1644 177.0854 36 M 4.0300 8.5154 119.1161 58.9993 31.9626 177.2131 37 E 4.1983 8.0009 116.5147 58.2667 29.6070 177.0411 38 Q 4.4084 7.8033 119.2726 56.0170 28.8113 175.2381 39 Q 4.3050 7.4960 116.4671 55.1786 29.7620 175.7850 40 V 3.8591 7.6570 121.6569 62.1793 33.5296 175.3929 41 V 4.0435 7.3013 121.8249 61.2466 34.3881 173.8444 42 F 4.6977 8.4755 126.6797 56.3581 41.3662 175.4364 43 S 4.9760 8.7340 117.9385 56.6784 63.2001 172.9459 44 M 4.4792 8.9713 127.9634 55.5162 33.2665 175.2542 45 S 4.9531 8.2601 118.7985 55.4913 67.0574 173.3839 46 F 4.4029 8.8120 124.3044 58.2435 38.9214 175.2490 47 V 4.4394 8.0201 119.3771 60.0015 34.1287 175.1297 48 Q 4.4858 8.8400 122.6896 55.2730 30.2521 176.8313 49 G 3.9845 7.8400 110.0687 46.3747 0.0000 173.5048 50 E 4.2594 8.6578 116.7405 56.4483 27.1216 174.8991 51 E 4.2458 8.2591 121.6182 56.0149 30.9694 176.4229 52 S 4.7200 8.1391 120.3720 57.7311 63.9806 173.2787 53 N 4.6272 8.9104 113.9792 55.1254 39.4199 176.0447 54 D 4.8843 7.9013 115.3329 54.8150 44.1459 176.7725 55 K 4.1170 8.1130 118.4819 56.5670 33.2851 176.4349 56 I 4.6934 8.3281 127.3662 58.2600 38.8702 172.3842 57 P 4.8197 0.0000 0.0000 63.1799 32.5507 175.8368 58 V 4.9101 8.6243 117.1943 60.0366 36.7287 173.6753 59 A 5.2050 8.2623 121.2465 50.3031 22.4733 175.7164 60 L 4.3460 8.7123 123.4672 53.5844 43.2268 175.9910 61 G 3.4081 8.1802 111.5968 43.3755 0.0000 171.3763 62 L 4.0462 8.0912 125.1762 55.3948 42.2208 178.2946 63 K 3.7496 8.4083 125.3490 59.7110 32.4605 177.8503 64 E 3.9941 8.1919 116.2517 58.9335 29.4195 177.2451 65 K 4.6152 6.9554 113.6238 54.5593 34.8509 175.1656 66 N 4.8910 8.3201 114.8319 53.3303 38.1953 174.6417 67 L 4.8432 7.8143 119.5957 55.1505 43.7391 175.5646 68 Y 4.9301 8.7128 122.4330 55.8092 40.0884 175.7110 69 L 4.7042 8.2168 124.4420 55.4111 42.7623 176.8699 70 S 5.2783 9.2394 115.9866 57.2005 66.9015 172.6969 71 C 5.0108 8.5904 120.5305 58.8899 29.0904 173.3662 72 V 4.7053 8.3021 116.5712 59.2337 35.6688 175.1273 73 L 4.2273 8.4531 122.7544 54.4444 42.4537 177.6558 74 K 4.3343 8.5836 122.9598 54.1719 32.7546 175.6264 75 D 4.3951 8.0054 126.2902 55.2319 37.1087 175.7610 76 D 4.4315 8.1548 114.4950 54.3708 38.9464 173.7362 77 K 4.2614 7.1829 120.3398 53.5286 34.3593 173.7606 78 P 3.9248 0.0000 0.0000 63.4638 31.8941 175.5804 79 T 4.6549 8.1885 117.3608 62.7100 73.8016 171.9646 80 L 4.9429 8.4025 124.8708 53.9379 43.7267 175.1445 81 Q 4.7288 8.7634 125.0863 55.1136 33.0596 172.7679 82 L 4.9569 8.5517 123.7028 53.8250 43.5662 175.8050 83 E 4.6639 8.9185 122.7284 54.3509 33.2548 174.2056 84 S 4.6346 8.9768 122.2120 58.8443 62.9784 173.8425 85 V 4.1002 7.8230 122.8342 59.9858 33.8513 174.2355 86 D 4.6461 8.7445 121.2786 53.5562 41.0452 176.0560 87 P 4.5384 0.0000 0.0000 64.5589 31.3564 177.4849 88 K 4.2571 7.6879 118.1435 58.7809 32.9576 177.9592 89 N 4.2811 7.8759 114.3760 53.8586 39.0410 174.7826 90 Y 4.7719 6.9264 117.1063 55.0680 40.2597 173.8680 91 P 4.6682 0.0000 0.0000 62.6326 31.5729 175.3267 92 K 4.7140 8.2568 119.5739 54.1712 35.7544 177.2272 93 K 4.2232 8.6301 121.0056 58.4685 32.9104 176.5325 94 K 4.9075 7.3007 120.6716 54.7371 34.2636 174.8961 95 M 5.0589 8.2207 123.1632 53.5954 36.3535 174.9033 96 E 4.2633 8.9607 120.8067 55.9574 30.7621 178.0734 97 K 3.6926 8.6874 120.7738 59.8877 32.6346 179.3416 98 R 3.4824 7.7349 117.0041 59.0511 29.6490 178.1255 99 F 4.9924 7.5100 114.3525 58.1060 39.7865 175.1962 100 V 4.6013 7.5736 122.7296 61.9848 32.8941 174.5873 101 F 5.0519 9.0156 126.7113 55.5457 41.9599 174.3882 102 N 4.6722 8.8660 122.0074 52.9137 39.1792 174.7706 103 K 4.1555 8.8623 127.1390 56.1948 33.0224 175.8470 104 I 4.8261 8.5701 129.1190 59.7124 40.2543 174.6095 105 E 5.1304 8.5931 123.3096 54.7517 32.0457 175.9936 106 I 4.2405 8.6158 125.4296 60.4003 40.3420 174.8670 107 N 4.3438 9.2800 126.1213 55.0324 36.6018 173.7694 108 N 4.2795 8.3093 109.2417 53.9412 36.9164 174.3573 109 K 4.7945 7.5873 116.5572 54.6413 36.2927 175.0543 110 L 5.1314 8.5568 121.1189 53.4281 44.8931 175.9400 111 E 4.7184 8.5362 120.4187 55.1206 34.0624 174.4274 112 F 5.1614 9.0779 124.2626 56.2368 40.4463 174.3448 113 E 4.8029 8.7682 125.7455 54.2351 31.9780 174.8210 114 S 4.0097 9.0070 121.6809 58.3981 62.5373 174.1894 115 A 3.8604 7.8757 130.5558 54.8986 18.0897 178.5671 116 Q 3.5540 7.5052 115.3509 58.0468 29.3453 176.3943 117 F 4.7415 6.9404 120.5148 54.3985 38.6506 173.2419 118 P 4.5633 0.0000 0.0000 63.1879 31.8029 176.9492 119 N 4.5963 8.6632 116.6825 53.7125 37.6566 174.3672 120 W 4.6940 7.6003 118.4683 55.1856 31.1752 174.8561 121 Y 5.6913 8.6012 121.4598 55.0049 41.4292 174.6165 122 I 4.2721 8.5443 120.7626 61.4692 38.2438 175.8625 123 S 5.1265 8.8013 122.4163 56.9049 67.3908 172.9375 124 T 4.8894 8.4243 110.7296 60.0723 72.6284 172.6445 125 S 4.8403 8.7012 116.7429 56.5578 63.4180 173.6068 126 Q 3.9520 9.0297 129.0832 59.0312 28.8245 176.8911 127 A 4.1536 7.9300 119.0369 52.3244 18.8718 176.2315 128 E 4.3893 8.5271 118.4520 56.6828 30.7712 176.4221 129 N 4.1670 8.7258 117.6948 54.1606 35.5009 172.0344 130 M 4.9813 8.1339 116.0059 52.5940 36.3269 172.2696 131 P 4.8026 0.0000 0.0000 63.0330 32.1273 176.2888 132 V 4.1740 8.3153 122.5816 63.4391 32.5834 174.6682 133 F 4.9757 8.1830 119.8816 56.0742 41.9552 172.0506 134 L 5.0605 8.8222 121.2391 53.9084 43.0582 175.7040 135 G 4.6314 9.3603 112.7108 43.9420 0.0000 172.8830 136 G 3.3019 8.1652 109.3714 44.6127 0.0000 175.6450 137 T 4.2740 7.2928 114.4648 60.7675 70.4584 173.9042 138 K 3.8713 8.5627 127.9426 56.9708 33.9665 177.2193 139 G 3.7672 8.7534 116.0292 45.3010 0.0000 177.5569 140 G 3.8441 8.6457 113.8408 46.6205 0.0000 175.1835 141 Q 4.3610 8.9522 124.5924 56.4274 30.1809 174.8729 142 D 4.5940 7.4664 115.8480 53.6338 41.7994 176.5045 143 I 4.0707 8.0335 124.6801 60.5885 36.3297 176.4230 144 T 4.5089 8.3586 115.8204 62.0834 69.7042 175.1342 145 D 4.8804 7.6505 120.8058 53.8350 40.8953 174.8709 146 F 4.7070 8.7523 116.7510 57.3221 44.4626 173.4505 147 T 4.8752 9.1876 110.0132 61.4060 71.2626 173.1280 148 M 4.9794 8.8559 126.5293 54.7357 34.3132 175.3123 149 Q 4.6926 8.5662 121.3414 54.1742 33.1153 174.6201 150 F 4.2662 9.5413 123.3606 57.9584 39.5889 175.0766 151 V 4.6215 8.0996 114.7543 59.7256 34.8922 174.5593 152 S 4.8585 8.5466 115.9352 56.6990 65.3769 174.1757 153 S 4.2161 8.2540 116.8480 58.8061 63.7277 174.2726 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 1 A 8.11 4.38 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 2 P 0.00 4.58 0.00 2.29 2.17 0.00 3.72 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 1.99 2.05 0.00 3 V 8.83 4.64 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 0.95 0.00 0.00 0.95 0.00 0.00 4 R 8.29 4.62 0.00 1.94 1.96 0.00 3.20 0.00 0.00 3.40 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 5 S 8.76 4.54 0.00 3.77 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 6 L 8.90 4.42 0.00 1.57 1.23 1.16 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.90 5.02 0.00 2.70 2.67 0.00 0.00 6.67 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 8 C 8.69 4.86 0.00 2.92 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 9 T 8.12 5.03 4.31 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 1.23 0.00 0.00 10 L 8.57 5.23 0.00 1.42 1.43 -0.21 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.13 5.18 0.00 1.92 1.77 0.00 3.12 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 12 D 8.84 4.52 0.00 2.40 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 13 S 8.10 4.11 0.00 3.92 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 14 Q 7.86 4.18 0.00 1.91 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.76 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 15 Q 8.34 3.92 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 16 K 8.67 4.37 0.00 1.72 1.71 0.00 1.45 0.00 0.00 1.35 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 1.28 7.81 17 S 8.39 5.25 0.00 3.74 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 18 L 8.03 5.16 0.00 1.83 1.72 0.81 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.02 4.62 2.25 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 0.88 0.00 0.00 0.99 0.00 0.00 20 M 8.64 4.73 0.00 2.04 2.06 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 2.50 2.49 0.00 21 S 8.48 4.19 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.63 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 0.00 0.00 0.00 0.00 23 P 0.00 4.07 0.00 1.07 1.68 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 24 Y 7.37 4.89 0.00 3.00 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 25 E 7.97 4.79 0.00 2.00 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 2.36 2.41 0.00 26 L 8.45 5.36 0.00 1.61 1.60 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.36 5.10 0.00 1.63 1.67 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 28 A 8.51 5.34 1.29 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 0.00 0.00 0.00 29 L 8.37 4.67 0.00 1.79 1.86 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.83 4.53 0.00 3.04 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.28 4.62 0.00 1.57 1.55 1.04 0.80 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 32 Q 8.61 4.35 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 33 G 8.53 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 34 Q 8.49 4.28 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 35 D 8.06 4.49 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 8.52 4.03 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 37 E 8.00 4.20 0.00 2.16 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 2.49 2.33 0.00 38 Q 7.80 4.41 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 39 Q 7.50 4.31 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 40 V 7.66 3.86 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 -0.08 0.00 0.00 0.80 0.00 0.00 41 V 7.30 4.04 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 0.95 0.00 0.00 0.80 0.00 0.00 42 F 8.48 4.70 0.00 2.92 2.74 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 43 S 8.73 4.98 0.00 3.75 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 44 M 8.97 4.48 0.00 1.74 1.68 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.99 0.00 45 S 8.26 4.95 0.00 3.82 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 46 F 8.81 4.40 0.00 3.02 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 47 V 8.02 4.44 2.33 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 0.85 0.00 0.00 1.07 0.00 0.00 48 Q 8.84 4.49 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 49 G 7.84 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.66 4.26 0.00 1.98 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 2.32 2.33 0.00 51 E 8.26 4.25 0.00 1.98 1.92 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 2.46 2.34 0.00 52 S 8.14 4.72 0.00 3.74 3.65 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 53 N 8.91 4.63 0.00 2.72 2.82 0.00 0.00 6.61 8.48 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 54 D 7.90 4.88 0.00 2.57 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 55 K 8.11 4.12 0.00 1.74 1.80 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 56 I 8.33 4.69 2.01 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 1.29 1.39 1.18 0.00 0.00 57 P 0.00 4.82 0.00 2.15 2.05 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 58 V 8.62 4.91 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 0.88 0.00 0.00 1.13 0.00 0.00 59 A 8.26 5.20 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 60 L 8.71 4.35 0.00 1.16 1.22 -0.26 0.47 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 61 G 8.18 3.41 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 0.00 62 L 8.09 4.05 0.00 1.63 1.48 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.41 3.75 0.00 1.64 1.72 0.00 1.85 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.36 7.81 64 E 8.19 3.99 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 65 K 6.96 4.62 0.00 1.73 1.70 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.27 7.81 66 N 8.32 4.89 0.00 3.13 3.14 0.00 0.00 5.93 6.72 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 67 L 7.81 4.84 0.00 1.63 1.72 0.90 1.06 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 68 Y 8.71 4.93 0.00 2.73 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 69 L 8.22 4.70 0.00 1.23 1.48 0.86 0.89 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 70 S 9.24 5.28 0.00 3.64 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 71 C 8.59 5.01 0.00 2.97 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.30 4.71 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 0.91 0.00 0.00 0.91 0.00 0.00 73 L 8.45 4.23 0.00 1.45 1.43 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.58 4.33 0.00 1.57 1.65 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.29 7.81 75 D 8.01 4.40 0.00 2.81 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 76 D 8.15 4.43 0.00 2.78 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 77 K 7.18 4.26 0.00 1.75 1.50 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 1.30 7.81 78 P 0.00 3.92 0.00 0.95 0.52 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.61 0.00 79 T 8.19 4.65 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 1.26 0.00 0.00 80 L 8.40 4.94 0.00 1.77 1.63 1.00 0.58 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 81 Q 8.76 4.73 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 82 L 8.55 4.96 0.00 1.82 1.75 1.02 0.86 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 83 E 8.92 4.66 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 84 S 8.98 4.63 0.00 4.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.82 4.10 1.17 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 0.10 0.00 0.00 0.33 0.00 0.00 86 D 8.74 4.65 0.00 2.77 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 87 P 0.00 4.54 0.00 2.29 2.21 0.00 3.83 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 2.01 2.09 0.00 88 K 7.69 4.26 0.00 1.80 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.45 7.81 89 N 7.88 4.28 0.00 1.85 2.32 0.00 0.00 6.57 7.34 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 90 Y 6.93 4.77 0.00 2.82 2.32 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 91 P 0.00 4.67 0.00 2.28 2.24 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 92 K 8.26 4.71 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.31 7.81 93 K 8.63 4.22 0.00 2.02 2.09 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.46 7.81 94 K 7.30 4.91 0.00 1.92 1.72 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.40 7.81 95 M 8.22 5.06 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 96 E 8.96 4.26 0.00 2.13 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 2.49 2.56 0.00 97 K 8.69 3.69 0.00 1.48 1.71 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.27 7.81 98 R 7.73 3.48 0.00 0.67 1.53 0.00 2.85 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.00 99 F 7.51 4.99 0.00 3.13 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 0.00 100 V 7.57 4.60 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 1.07 0.00 0.00 1.03 0.00 0.00 101 F 9.02 5.05 0.00 3.14 3.18 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 0.00 102 N 8.87 4.67 0.00 2.78 2.85 0.00 0.00 6.24 6.56 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 0.00 103 K 8.86 4.16 0.00 1.95 1.87 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 0.91 7.81 104 I 8.57 4.83 1.85 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 1.26 1.00 0.92 0.00 0.00 105 E 8.59 5.13 0.00 1.81 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 0.00 2.20 2.28 0.00 106 I 8.62 4.24 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.08 0.87 0.00 0.00 107 N 9.28 4.34 0.00 2.80 2.83 0.00 0.00 7.24 7.78 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 0.00 108 N 8.31 4.28 0.00 2.89 2.89 0.00 0.00 7.00 7.62 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 0.00 109 K 7.59 4.79 0.00 1.85 1.64 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 110 L 8.56 5.13 0.00 1.63 1.19 1.05 0.76 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 0.00 111 E 8.54 4.72 0.00 1.78 1.79 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 2.10 2.20 0.00 112 F 9.08 5.16 0.00 3.00 3.14 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 0.00 0.00 0.00 0.00 113 E 8.77 4.80 0.00 2.11 1.83 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 2.06 1.67 0.00 114 S 9.01 4.01 0.00 4.02 4.06 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 0.00 115 A 7.88 3.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.51 3.55 0.00 1.40 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 1.39 1.80 0.00 117 F 6.94 4.74 0.00 2.99 2.74 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 0.00 118 P 0.00 4.56 0.00 2.06 2.10 0.00 3.82 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 119 N 8.66 4.60 0.00 2.86 3.04 0.00 0.00 6.85 7.27 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 0.00 120 W 7.60 4.69 0.00 3.46 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 8.60 5.69 0.00 3.00 3.18 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 0.00 122 I 8.54 4.27 1.85 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.66 0.00 0.00 123 S 8.80 5.13 0.00 3.28 3.61 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 0.00 124 T 8.42 4.89 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 1.38 0.00 0.00 125 S 8.70 4.84 0.00 4.03 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 0.00 126 Q 9.03 3.95 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 127 A 7.93 4.15 1.29 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 0.00 0.00 0.00 128 E 8.53 4.39 0.00 2.00 1.92 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 2.36 2.37 0.00 129 N 8.73 4.17 0.00 2.84 2.85 0.00 0.00 6.67 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 0.00 130 M 8.13 4.98 0.00 2.26 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 131 P 0.00 4.80 0.00 2.22 2.11 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 132 V 8.32 4.17 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 0.82 0.00 0.00 1.02 0.00 0.00 133 F 8.18 4.98 0.00 3.14 3.16 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 0.00 134 L 8.82 5.06 0.00 1.78 1.74 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.36 4.63 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 0.00 0.00 0.00 136 G 8.17 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.29 4.27 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 1.20 0.00 0.00 138 K 8.56 3.87 0.00 1.63 1.63 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 1.11 7.81 139 G 8.75 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 0.00 140 G 8.65 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 0.00 0.00 0.00 141 Q 8.95 4.36 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 142 D 7.47 4.59 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.03 4.07 1.73 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 1.27 0.59 0.72 0.00 0.00 144 T 8.36 4.51 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 1.23 0.00 0.00 145 D 7.65 4.88 0.00 2.63 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 0.00 146 F 8.75 4.71 0.00 3.16 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 0.00 147 T 9.19 4.88 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 1.24 0.00 0.00 148 M 8.86 4.98 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 149 Q 8.57 4.69 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 150 F 9.54 4.27 0.00 2.87 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 0.00 151 V 8.10 4.62 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 0.68 0.00 0.00 0.97 0.00 0.00 152 S 8.55 4.86 0.00 3.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.25 4.22 0.00 3.84 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