NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5127 8.3344 115.4170 56.7237 64.0119 174.7487 3 N 4.0835 7.2004 129.1002 54.8273 42.4960 171.6242 4 T 4.9202 8.6703 113.7206 62.0954 73.6530 172.9814 5 L 4.8802 8.3910 118.6904 53.6998 44.3376 176.5485 6 F 4.8229 7.7510 120.2041 58.2013 42.2560 171.7164 7 D 5.0100 6.4564 122.1174 52.9033 44.4377 173.4528 8 D 4.3056 8.1122 122.6798 54.2059 46.0762 174.8434 9 I 4.8128 7.4602 123.3289 60.1342 39.0666 175.2600 10 F 5.4430 10.9459 124.4310 55.7857 43.4058 173.6788 11 Q 5.5459 12.0000 119.4830 53.4635 32.4272 174.0224 12 V 3.9877 8.4744 126.7571 62.6923 32.3198 175.8796 13 S 4.3093 9.0718 124.3425 60.2760 63.7951 173.0489 14 E 4.7502 8.5514 118.8760 53.3196 33.0068 174.7203 15 V 4.1336 8.5219 124.4273 60.4452 32.6751 175.1180 16 D 4.7595 10.6100 127.3097 51.4703 41.2638 173.7147 17 P 4.5655 0.0000 0.0000 61.7772 29.5310 177.1761 18 G 3.6762 8.0460 124.1424 46.0923 0.0000 170.4510 19 R 3.5549 7.7113 121.4959 55.4898 26.7000 174.7359 20 Y 5.4557 7.4294 124.1435 58.4644 40.7208 172.8559 21 N 4.7933 8.7536 122.3121 53.1001 38.7081 175.3890 22 K 4.7437 7.8484 117.4558 55.7064 33.9893 176.0373 23 V 4.4151 7.4226 116.8049 62.8646 34.3583 170.6362 24 C 4.9142 7.9523 123.9332 58.1426 32.1235 173.0317 25 R 4.9792 8.6745 120.3428 55.1514 31.5413 175.2694 26 I 4.9375 8.7108 121.7977 59.5996 41.3584 174.2122 27 E 5.0495 9.0088 125.5523 54.6469 30.5015 174.8705 28 A 5.1078 9.1416 125.4996 48.9511 23.0089 174.3648 29 A 5.1731 9.2343 121.8508 49.7344 22.5262 175.7585 30 S 3.5294 8.4473 114.5720 59.0836 62.7859 174.4247 31 T 4.2213 7.9348 124.6753 62.8114 69.7786 176.5659 32 T 3.4239 8.5475 119.9726 64.2648 65.2413 175.5541 33 Q 4.1207 8.5611 135.0000 56.8827 27.9002 175.8200 34 D 4.6249 8.7459 121.7183 55.3067 40.6575 176.8288 35 Q 4.6323 8.3348 117.2896 55.6867 28.6009 174.7096 36 C 5.1305 7.7747 118.0498 58.8138 35.5112 172.8110 37 K 4.8700 8.3894 123.0658 56.8392 36.5232 173.9504 38 L 5.2556 7.6417 116.2917 55.5833 46.2661 173.3794 39 T 5.8093 8.2855 122.4391 60.9901 71.5347 172.5567 40 L 5.0295 8.2790 128.0265 53.2312 45.1422 174.9080 41 D 5.0407 8.5728 126.3289 54.1367 42.2868 176.7493 42 I 4.4240 8.9124 119.1590 62.7635 41.4913 173.8491 43 N 4.4158 7.8461 129.2944 56.6565 37.0017 174.5892 44 V 4.0969 7.9693 120.8826 63.0767 32.1355 176.4038 45 E 4.5029 8.8522 119.5758 57.1786 31.4868 176.8842 46 L 4.2317 7.9323 116.8769 56.9461 42.1824 177.1166 47 F 5.1297 7.9012 114.8356 56.4220 40.7165 170.5198 48 P 4.0560 0.0000 0.0000 62.0937 32.4641 175.3235 49 V 3.9937 7.4270 116.1584 63.1711 33.9765 171.3522 50 A 4.2767 10.6000 124.0923 52.5365 22.3918 175.0023 51 A 3.6614 8.6257 116.7365 53.2893 19.1433 178.3465 52 Q 3.4494 8.2311 119.7317 56.9678 26.6161 172.7633 53 D 5.2280 7.6511 118.3273 52.1583 45.3984 175.3181 54 S 5.3717 8.6400 115.9150 56.9496 65.1487 173.1587 55 L 4.8416 9.5197 122.2798 54.0202 46.7771 174.5380 56 T 5.2265 7.8661 113.4608 62.3237 73.2180 173.0000 57 V 5.1537 8.3109 119.2372 63.7711 35.4168 171.7939 58 T 5.7634 7.8789 121.2490 62.6276 73.2247 173.0918 59 I 4.4630 8.9438 119.4608 62.9487 39.1167 177.7401 60 A 4.1269 9.9191 119.3504 53.0115 17.3570 178.5420 61 S 4.9264 7.7913 111.7188 57.8667 65.2626 175.6208 62 S 4.5714 7.3305 117.4288 57.1617 64.1771 174.5351 63 L 3.8829 8.3794 115.2985 55.1022 40.8807 179.2610 *76 T 3.9059 7.4473 113.8818 64.3409 68.8434 174.6467 77 R 3.2495 7.8449 122.7875 53.4516 31.7182 175.8474 78 S 4.1304 8.2063 115.7061 57.6477 63.7369 174.1423 79 W 4.5883 8.7191 131.4494 56.5133 31.0521 175.9365 80 R 4.3489 7.7131 131.7722 55.3485 31.5412 172.6228 81 P 3.5164 0.0000 0.0000 61.5635 33.2860 173.1651 82 P 4.2748 0.0000 0.0000 62.1263 31.2235 175.9845 83 Q 4.1012 9.5190 119.5659 56.6005 25.5992 173.9394 84 A 4.7196 7.6554 119.0365 51.8059 20.6218 178.1666 85 G 3.9102 8.1169 102.7884 45.9135 0.0000 174.0322 86 D 4.7305 7.6193 115.9282 51.7149 41.0849 173.3199 87 R 4.5395 7.4529 117.6928 54.8466 34.7053 175.2955 88 S 4.1653 8.3403 113.6323 59.0662 63.2189 174.6978 89 L 5.0065 8.2789 122.1282 54.3927 43.1953 174.9619 90 A 3.7915 7.5099 124.6795 53.5232 19.2710 177.2669 91 D 4.5422 8.0248 118.3923 54.1499 39.9802 177.4980 92 D 4.5968 7.7836 117.5781 55.8167 41.1711 176.5448 93 Y 4.7510 7.3674 117.2246 57.2069 38.3675 174.4567 94 D 4.4554 7.6008 123.7136 56.1943 40.4604 175.6084 95 Y 4.4987 7.2491 119.4404 57.1939 41.1815 174.3714 96 V 5.1675 7.9254 123.9198 62.1171 35.0250 173.3009 97 M 5.0585 9.3500 126.5471 53.7712 36.9345 173.1478 98 Y 5.0557 8.7389 119.7500 56.1516 41.1510 175.1225 99 G 3.7192 7.5220 113.7759 44.7799 0.0000 172.7144 100 T 4.7264 7.7753 115.8883 61.5765 71.2328 173.6378 101 A 5.3883 8.5743 125.5414 50.7891 21.2949 175.6458 102 Y 4.7722 9.8351 115.9300 56.7446 41.0018 175.8442 103 K 4.1987 6.5498 117.9025 54.2909 36.7731 175.5832 104 F 4.4118 8.3475 122.9648 55.9091 40.0773 174.0671 105 E 4.5480 8.4971 125.6278 54.1849 31.8354 175.1157 106 E 4.4728 8.6963 126.5735 55.2737 28.7370 177.3777 107 V 3.4622 7.8445 125.0299 63.9983 31.7355 176.8906 108 S 4.4298 7.1292 111.3373 58.6204 63.1680 168.2374 109 K 4.0551 8.9753 117.1180 56.4377 30.6271 175.4070 110 D 4.1565 7.7682 115.2335 54.1162 40.9265 174.5621 111 L 4.9317 7.3095 123.4155 52.8367 44.9731 175.8009 112 I 4.8655 8.3050 124.0577 59.3604 40.9644 174.7729 113 A 4.7092 8.6926 128.3868 51.1789 20.6732 176.5113 114 V 4.1669 11.1300 112.5639 59.5069 35.4454 174.9876 115 Y 5.5940 7.3389 119.1287 55.6872 40.8687 173.6706 116 Y 4.7788 8.6245 122.0078 56.0428 41.3569 174.8782 117 S 4.8338 8.8858 118.6301 56.7895 64.4454 173.3962 118 F 4.3958 8.8394 128.9563 57.7720 37.5058 175.3902 119 G 3.7971 8.7166 108.1358 47.9794 0.0000 170.7947 120 G 4.0162 8.4763 108.1880 46.3782 0.0000 171.0386 121 L 4.2522 8.7880 120.9715 54.5711 42.8542 176.4012 122 L 5.0820 9.6382 123.6279 53.6945 44.4695 175.0861 123 M 5.2527 9.6736 121.4633 53.9756 35.4022 174.2497 124 R 4.9594 9.2997 127.4364 54.6454 31.7765 173.4255 125 L 5.1123 9.1554 129.6189 52.9429 44.5832 174.6277 126 E 5.2665 8.8071 126.4280 53.5096 33.1807 174.8141 127 G 4.3865 7.5520 112.8460 46.5383 0.0000 173.8588 128 N 5.1692 8.7098 124.0033 53.2671 40.0426 175.0336 129 Y 4.7349 6.5383 114.2371 59.0297 40.2025 177.1020 130 R 3.6891 7.1405 119.9009 57.3362 28.5692 175.0011 131 N 4.8373 7.3894 113.8140 54.6572 42.2299 176.4477 132 L 4.3619 8.0222 116.4092 56.1903 41.6692 177.5793 133 N 5.1183 9.0401 114.1056 52.8545 40.9213 175.1684 134 N 5.1773 7.8081 115.8926 52.2580 40.9750 176.2754 135 L 4.5940 7.8278 125.9004 53.9835 41.4127 178.4849 136 K 4.8115 8.8190 125.5562 56.9995 33.9296 174.8067 137 Q 4.7775 7.9548 118.9623 53.6748 31.5823 174.3515 138 E 3.8360 8.5914 118.4962 59.8401 29.9373 177.4330 139 N 4.5624 7.9427 116.6237 54.0750 39.6095 174.6570 140 A 4.6999 8.4321 117.7057 52.3343 21.9565 174.7333 141 Y 5.2277 8.9470 124.1443 59.2231 40.9564 174.9569 142 L 4.7370 8.5635 119.1465 55.3311 46.5766 175.1756 143 L 5.1870 8.2468 124.0919 53.2675 45.6660 175.2435 144 I 4.8721 9.4038 126.4099 59.5614 39.0840 175.0752 145 R 4.5079 8.4626 122.2137 55.5775 32.6612 175.6487 146 R 4.2443 8.1842 121.7144 56.4910 30.4841 175.9348 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 2 S 8.33 4.51 0.00 4.00 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 3 N 7.20 4.08 0.00 2.89 2.73 0.00 0.00 7.04 6.82 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 4 T 8.67 4.92 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 1.35 0.00 0.00 5 L 8.39 4.88 0.00 1.81 1.92 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.75 4.82 0.00 3.25 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 7 D 6.46 5.01 0.00 2.60 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.11 4.31 0.00 2.36 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 0.00 0.00 0.00 9 I 7.46 4.81 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 0.90 0.00 0.00 10 F 10.95 5.44 0.00 2.91 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 11 Q 12.00 5.55 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 12 V 8.47 3.99 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 0.95 0.00 0.00 0.91 0.00 0.00 13 S 9.07 4.31 0.00 3.95 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 14 E 8.55 4.75 0.00 1.88 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 2.20 2.21 0.00 15 V 8.52 4.13 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 0.66 0.00 0.00 0.86 0.00 0.00 16 D 10.61 4.76 0.00 2.66 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 17 P 0.00 4.57 0.00 2.13 2.10 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 18 G 8.05 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 19 R 7.71 3.55 0.00 1.71 1.79 0.00 3.44 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 20 Y 7.43 5.46 0.00 3.00 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 21 N 8.75 4.79 0.00 2.72 2.83 0.00 0.00 6.93 7.61 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 22 K 7.85 4.74 0.00 1.60 1.67 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.34 7.81 23 V 7.42 4.42 1.87 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 0.66 0.00 0.00 0.77 0.00 0.00 24 C 7.95 4.91 0.00 2.78 2.70 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 0.00 0.00 0.00 25 R 8.67 4.98 0.00 1.94 2.18 0.00 2.91 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 26 I 8.71 4.94 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.98 0.82 0.00 0.00 27 E 9.01 5.05 0.00 1.93 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 2.21 2.26 0.00 28 A 9.14 5.11 1.18 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 0.00 0.00 29 A 9.23 5.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.45 3.53 0.00 4.12 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 31 T 7.93 4.22 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 32 T 8.55 3.42 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 33 Q 8.56 4.12 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 34 D 8.75 4.62 0.00 2.68 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 35 Q 8.33 4.63 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 36 C 7.77 5.13 0.00 3.23 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 37 K 8.39 4.87 0.00 1.90 2.00 0.00 1.44 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.64 5.26 0.00 1.61 1.56 0.71 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.29 5.81 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 1.32 0.00 0.00 40 L 8.28 5.03 0.00 1.54 1.29 0.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.57 5.04 0.00 2.84 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 42 I 8.91 4.42 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.14 0.58 0.00 0.00 43 N 7.85 4.42 0.00 2.80 2.83 0.00 0.00 7.34 7.71 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 44 V 7.97 4.10 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 0.70 0.00 0.00 0.86 0.00 0.00 45 E 8.85 4.50 0.00 1.86 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 2.21 2.24 0.00 46 L 7.93 4.23 0.00 1.88 1.76 0.81 0.77 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 F 7.90 5.13 0.00 3.13 3.46 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 48 P 0.00 4.06 0.00 2.12 2.02 0.00 3.89 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 2.07 2.29 0.00 49 V 7.43 3.99 1.69 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 0.55 0.00 0.00 0.39 0.00 0.00 50 A 10.60 4.28 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 51 A 8.63 3.66 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.23 3.45 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 53 D 7.65 5.23 0.00 2.78 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 54 S 8.64 5.37 0.00 3.88 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 55 L 9.52 4.84 0.00 1.61 1.60 0.89 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.87 5.23 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 1.28 0.00 0.00 57 V 8.31 5.15 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 0.99 0.00 0.00 0.94 0.00 0.00 58 T 7.88 5.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 59 I 8.94 4.46 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 1.00 0.00 0.00 60 A 9.92 4.13 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 61 S 7.79 4.93 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.33 4.57 0.00 3.77 3.62 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 63 L 8.38 3.88 0.00 1.57 1.74 0.89 0.75 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 *76 T 7.45 3.91 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 1.25 0.00 0.00 77 R 7.84 3.25 0.00 1.87 2.15 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 78 S 8.21 4.13 0.00 4.08 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 79 W 8.72 4.59 0.00 3.51 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.71 4.35 0.00 1.45 1.52 0.00 3.33 0.00 0.00 3.19 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 81 P 0.00 3.52 0.00 1.77 0.49 0.00 3.27 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 82 P 0.00 4.27 0.00 1.98 2.08 0.00 3.54 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 83 Q 9.52 4.10 0.00 2.05 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 84 A 7.66 4.72 1.18 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 0.00 0.00 85 G 8.12 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 0.00 0.00 0.00 86 D 7.62 4.73 0.00 2.56 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 87 R 7.45 4.54 0.00 1.85 1.76 0.00 3.25 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 88 S 8.34 4.17 0.00 3.94 3.88 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 89 L 8.28 5.01 0.00 1.87 1.62 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.51 3.79 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.02 4.54 0.00 2.77 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 92 D 7.78 4.60 0.00 2.41 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 93 Y 7.37 4.75 0.00 2.94 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 94 D 7.60 4.46 0.00 2.08 2.46 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 95 Y 7.25 4.50 0.00 2.79 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 96 V 7.93 5.17 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 1.06 0.00 0.00 1.15 0.00 0.00 97 M 9.35 5.06 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 98 Y 8.74 5.06 0.00 2.11 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.52 3.72 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 0.00 0.00 0.00 100 T 7.78 4.73 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 101 A 8.57 5.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 9.84 4.77 0.00 2.93 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 0.00 103 K 6.55 4.20 0.00 1.61 1.71 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.38 7.81 104 F 8.35 4.41 0.00 2.97 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 0.00 105 E 8.50 4.55 0.00 1.79 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 2.23 2.33 0.00 106 E 8.70 4.47 0.00 2.07 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 2.37 2.28 0.00 107 V 7.84 3.46 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 0.77 0.00 0.00 0.88 0.00 0.00 108 S 7.13 4.43 0.00 4.04 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.98 4.06 0.00 1.93 2.23 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.31 7.81 110 D 7.77 4.16 0.00 2.88 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 0.00 111 L 7.31 4.93 0.00 1.73 1.56 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.31 4.87 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 0.86 0.00 0.00 113 A 8.69 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 11.13 4.17 1.62 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 0.60 0.00 0.00 0.49 0.00 0.00 115 Y 7.34 5.59 0.00 1.93 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 0.00 116 Y 8.62 4.78 0.00 3.13 2.83 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 0.00 117 S 8.89 4.83 0.00 3.38 3.39 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 0.00 0.00 0.00 0.00 118 F 8.84 4.40 0.00 3.23 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.72 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 0.00 0.00 0.00 120 G 8.48 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 0.00 121 L 8.79 4.25 0.00 1.70 1.69 0.97 0.51 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 0.00 122 L 9.64 5.08 0.00 1.78 1.66 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.67 5.25 0.00 2.63 2.38 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 124 R 9.30 4.96 0.00 2.05 1.84 0.00 3.14 0.00 0.00 3.11 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 125 L 9.16 5.11 0.00 1.63 1.26 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.81 5.27 0.00 1.85 1.80 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 2.14 2.02 0.00 127 G 7.55 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.71 5.17 0.00 2.90 2.81 0.00 0.00 6.87 7.42 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 0.00 129 Y 6.54 4.73 0.00 3.07 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 0.00 130 R 7.14 3.69 0.00 1.47 1.77 0.00 2.72 0.00 0.00 2.90 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 131 N 7.39 4.84 0.00 2.75 2.65 0.00 0.00 6.99 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 0.00 132 L 8.02 4.36 0.00 1.68 1.73 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 133 N 9.04 5.12 0.00 2.80 3.02 0.00 0.00 6.59 5.72 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 0.00 134 N 7.81 5.18 0.00 2.68 2.77 0.00 0.00 7.08 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 0.00 135 L 7.83 4.59 0.00 1.76 1.01 0.96 0.88 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 0.00 136 K 8.82 4.81 0.00 1.58 1.29 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 1.29 7.81 137 Q 7.95 4.78 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 138 E 8.59 3.84 0.00 2.09 2.11 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 2.38 2.40 0.00 139 N 7.94 4.56 0.00 2.90 3.06 0.00 0.00 6.71 7.35 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 0.00 140 A 8.43 4.70 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 0.00 141 Y 8.95 5.23 0.00 3.03 3.32 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 0.00 142 L 8.56 4.74 0.00 1.74 1.45 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.25 5.19 0.00 0.61 1.70 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.40 4.87 1.97 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.99 0.00 0.00 145 R 8.46 4.51 0.00 2.02 2.12 0.00 2.96 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 146 R 8.18 4.24 0.00 1.97 2.11 0.00 3.23 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.