NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3338 8.1076 122.4336 52.2679 20.3242 175.4298 3 H 4.7281 8.0676 115.6002 54.2908 31.5856 170.5747 4 T 4.7273 9.8174 113.5388 61.9882 71.5232 173.4440 5 T 5.4113 8.3925 120.9912 62.8743 72.8648 173.0058 6 T 4.8188 9.1555 118.1905 60.9716 71.5061 172.5639 7 S 5.6869 8.2173 119.8786 55.6980 66.4525 172.3849 *9 E 4.2495 8.6410 118.9239 56.3660 29.7726 175.5391 10 I 4.0528 8.6454 125.8966 60.1569 38.7575 176.7898 11 F 4.7378 8.1821 125.2268 55.4279 37.0820 175.0778 12 G 3.6834 7.0625 109.7767 42.6841 0.0000 171.3307 13 S 4.3372 8.4040 117.4486 57.9994 65.0066 175.5110 14 T 4.2651 8.2739 114.2945 64.5870 68.3062 176.3062 15 E 4.0551 8.1160 120.7885 59.1803 29.6016 179.1573 16 Q 4.0963 8.0914 117.9709 59.0049 28.8819 178.8945 17 V 3.7131 7.8595 119.1900 65.9898 31.6106 177.9390 18 W 4.3353 8.4866 128.1235 60.2551 30.2444 177.6912 19 Q 3.8782 8.0868 119.1221 58.9152 28.5663 177.8864 20 L 4.0219 7.8806 120.3115 57.7920 41.1270 178.2213 21 I 4.1449 7.7811 111.4866 61.0058 37.8906 177.6235 22 G 2.0000 7.5715 110.2396 47.4106 0.0000 174.5179 23 G 3.7293 7.2037 109.6015 44.3904 0.0000 174.5354 24 F 3.8229 8.7601 127.1647 60.7025 39.5839 175.0310 25 N 4.5294 7.9923 116.2433 53.5396 38.3458 174.7755 26 S 4.6459 7.8441 112.1220 58.4082 63.3911 175.7380 27 L 3.4091 7.9203 123.1437 57.2590 41.3016 177.3983 28 P 4.5235 0.0000 0.0000 64.0544 31.4019 176.7224 29 D 4.6093 8.2599 119.0730 55.7364 40.9318 176.8640 30 W 5.1329 7.6468 111.9199 55.6276 30.7998 174.5367 31 L 4.0773 7.7017 120.7994 52.0777 41.7937 175.1985 32 P 4.1332 0.0000 0.0000 65.4025 31.4914 177.3541 33 Y 4.5035 6.6317 113.8345 57.3867 38.7084 174.8251 34 I 4.7355 6.9942 122.5600 58.3923 37.1693 173.8763 35 P 4.2967 0.0000 0.0000 65.0562 31.9648 176.6503 36 S 4.7477 7.5405 111.1749 56.7761 66.3681 172.7440 37 S 5.1793 8.3478 117.7216 56.9736 65.3758 173.1489 38 K 4.7555 8.8984 125.0677 54.6373 36.3116 175.0023 39 L 5.3600 8.4977 122.0663 53.5134 44.2839 175.5327 40 T 4.6257 8.7286 111.9048 59.5205 73.1659 172.8576 41 E 3.9004 9.4876 117.1448 57.7245 26.8360 176.4281 42 G 3.9058 8.9897 102.7370 46.1537 0.0000 174.4930 43 G 4.1069 7.9972 106.0786 45.3631 0.0000 175.3490 44 R 4.1257 8.1416 118.7340 57.0285 30.9206 176.1008 45 V 5.2276 7.7158 118.1075 60.8530 35.1002 174.0732 46 R 5.0891 9.1602 123.8890 54.7140 32.4273 174.3171 47 H 5.1414 9.4469 120.1707 54.3554 30.7782 173.3821 48 L 5.0066 9.2629 124.7875 52.9650 42.9393 175.5106 49 A 5.2521 8.6635 125.9513 50.1446 21.6653 176.2520 50 N 5.0544 8.6927 120.0949 50.4741 39.4070 174.2513 51 P 4.2470 0.0000 0.0000 65.8954 31.4568 177.7198 52 D 4.3771 8.1301 116.8559 56.7505 40.7237 177.4954 53 G 4.0387 8.0650 104.7715 44.8298 0.0000 173.4365 54 E 4.1312 8.0986 121.8051 56.4504 30.9070 175.2728 55 T 5.2116 8.4308 122.6119 61.9128 71.1673 173.4492 56 I 4.5624 9.1558 127.6813 59.7791 39.7503 174.6132 57 I 4.8293 8.4341 126.7488 59.5957 39.3090 174.9577 58 E 5.1096 9.1319 125.9120 54.5391 33.6809 174.6440 59 R 5.1221 9.1384 123.3864 54.4248 32.6225 174.8016 60 L 3.9747 9.0505 129.5399 55.4237 41.9144 175.6879 61 E 4.5946 9.7041 126.1798 57.6929 31.2943 176.7142 62 V 4.6674 7.6525 117.3118 61.3543 35.5708 173.6033 63 F 5.1364 8.5758 127.1937 56.8494 42.9642 173.3315 64 N 4.3706 7.6760 124.3205 52.1752 41.1942 174.3272 65 D 4.2078 8.7018 126.7823 57.2975 41.6586 178.6847 66 K 3.9030 7.7696 116.4275 58.8320 32.2061 177.5467 67 E 4.1023 7.8081 115.5536 55.4227 30.4160 176.0675 68 R 2.0000 6.6412 117.8633 55.4171 28.0506 174.2319 69 Y 5.5526 6.7224 114.4119 56.8472 42.4850 175.0295 70 Y 5.4928 8.4902 117.2257 56.0202 42.1278 173.6559 71 T 5.4955 9.5959 117.9737 62.1890 72.1595 172.6866 72 Y 5.7246 9.2328 123.2758 55.5370 42.3122 173.9218 73 S 5.5688 9.4636 114.2374 55.9881 66.9021 172.8782 74 I 4.8032 8.5884 120.7712 59.8461 40.0380 175.1623 *76 N 4.5643 8.4360 118.8266 53.7209 39.6162 173.9359 77 A 4.5198 8.2430 124.8919 50.6753 21.9132 172.9942 78 P 4.5545 0.0000 0.0000 62.9405 32.0498 175.6595 79 F 4.9807 7.3522 117.1908 56.2736 41.3373 175.2411 80 P 4.7822 0.0000 0.0000 62.3216 29.0066 175.5199 81 V 5.0999 7.3318 110.9213 61.1066 36.6354 175.5579 82 T 4.7162 8.8101 116.8027 60.1639 71.5409 172.8029 83 N 4.4838 8.8339 117.0635 54.2522 36.1550 173.3958 84 Y 4.9387 8.1410 118.9270 57.5970 40.2887 173.9664 85 L 4.9545 8.5530 125.9520 53.0335 46.1987 175.4738 86 S 4.8957 8.7943 117.1422 56.8161 66.3716 172.6306 87 T 5.1570 9.1377 122.2652 61.7406 72.3473 172.5167 88 I 4.6016 8.1755 125.7597 59.0783 40.7140 173.9511 89 Q 4.7884 9.2005 129.6570 54.4181 33.0020 173.9716 90 V 4.3980 8.4957 126.0096 61.5009 32.2151 175.2938 91 K 4.4609 8.7942 128.3446 54.5347 34.5565 176.1861 92 E 4.1564 8.6628 121.2202 57.0683 29.9238 178.0484 93 G 4.2761 8.6710 112.6424 43.8610 0.0000 173.3229 94 T 4.0344 8.5012 108.3100 63.2969 69.1553 174.0143 95 E 4.7636 7.8793 120.7708 53.8676 32.7412 176.7254 96 S 4.2401 8.5610 113.8895 60.2398 63.3566 174.6235 97 N 4.9110 8.0380 117.7116 52.4848 37.5867 173.8580 98 T 5.1470 7.4933 108.0703 59.7281 73.0736 172.6403 99 S 4.8401 9.1440 117.2696 56.8702 67.9187 173.4325 100 L 4.3268 8.6765 125.6312 53.7256 42.8931 174.8140 101 V 4.4973 8.0959 126.9416 61.6160 33.3301 173.8440 102 E 5.0948 9.2153 129.3884 54.0629 32.4540 174.0836 103 W 5.3086 9.2113 135.0000 55.6124 33.4408 174.2128 104 S 5.3996 9.4516 121.3207 57.1307 66.6397 172.9955 105 G 4.8312 9.7574 106.8857 45.6254 0.0000 171.9047 106 T 5.0177 8.5111 111.7150 59.6950 71.9821 172.8134 107 F 5.3962 7.7480 117.8714 57.7177 41.5842 172.9025 108 T 4.7146 8.9119 116.2841 61.0489 70.7853 172.6248 109 P 4.9254 0.0000 0.0000 62.6448 32.2282 176.1886 110 V 4.2667 8.5324 122.3184 62.0982 34.1888 175.8981 111 A 3.9494 9.4892 129.4900 52.4656 16.2514 176.8820 112 V 4.5748 7.1050 108.2015 58.6874 36.1804 175.8086 113 S 4.4395 8.3087 116.1614 58.1737 64.9605 174.8812 114 D 4.4411 8.6142 122.4272 57.7803 40.5965 178.9577 115 E 3.9496 8.1664 118.5291 59.3962 29.4923 178.8779 116 E 3.9639 8.1512 118.8775 58.9235 29.6153 178.6853 117 A 3.9265 8.0240 120.8801 55.0640 18.4461 179.6385 118 I 3.8403 8.1384 118.6288 64.7057 37.2448 178.2310 119 N 4.2838 8.1968 117.8312 56.3715 38.7422 176.7453 120 L 3.7488 7.8756 121.7910 58.0155 42.2455 179.1425 121 V 2.8390 7.5345 118.3908 66.0062 31.3103 177.4138 122 H 3.9203 8.3633 118.5153 59.0978 29.6330 177.4347 123 G 3.5115 8.0214 107.5669 47.6389 0.0000 175.8537 124 I 3.5110 7.1396 121.9827 64.3055 36.7907 178.1561 125 Y 3.2623 7.2481 117.4952 60.9113 37.7137 178.5788 126 S 4.1836 8.3449 114.4464 61.4545 62.4686 175.9966 127 D 4.5507 8.3186 121.9411 57.2038 40.4816 178.9284 128 G 4.2320 8.3665 106.4003 47.7580 0.0000 175.8402 129 L 4.3340 8.6066 121.4816 57.4357 41.6126 179.7492 130 K 4.0919 8.2694 118.0917 59.2866 31.9874 179.2700 131 A 4.1515 8.3477 121.3009 55.0489 18.2836 179.4534 132 L 4.2259 8.5978 119.3011 58.3542 41.9510 179.0022 133 Q 3.9702 8.1133 118.8059 59.4369 29.3857 177.3178 134 H 4.2937 8.5981 119.1447 59.2718 29.7190 177.0338 135 A 3.9921 8.2654 122.5709 55.0107 18.0171 178.9811 136 F 4.1173 7.8625 113.4352 58.8305 39.3694 177.3728 137 L 4.2372 7.6515 118.0242 55.3610 41.6919 176.4087 138 D 4.9035 7.5024 123.0910 54.5463 41.2048 173.9322 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 A 8.11 4.33 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.07 4.73 0.00 3.22 3.06 0.00 5.57 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.82 4.73 4.41 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 1.39 0.00 0.00 5 T 8.39 5.41 4.33 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 1.32 0.00 0.00 6 T 9.16 4.82 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 1.36 0.00 0.00 7 S 8.22 5.69 0.00 3.89 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 *9 E 8.64 4.25 0.00 2.13 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 2.26 2.35 0.00 10 I 8.65 4.05 1.68 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 1.22 0.86 0.54 0.00 0.00 11 F 8.18 4.74 0.00 3.02 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 12 G 7.06 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 13 S 8.40 4.34 0.00 4.09 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 T 8.27 4.27 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 15 E 8.12 4.06 0.00 2.13 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 0.00 2.43 2.51 0.00 16 Q 8.09 4.10 0.00 2.39 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 17 V 7.86 3.71 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 0.83 0.00 0.00 0.49 0.00 0.00 18 W 8.49 4.34 0.00 3.42 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 19 Q 8.09 3.88 0.00 2.51 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 20 L 7.88 4.02 0.00 1.93 1.74 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.78 4.14 1.16 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 -0.52 0.00 0.00 22 G 7.57 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.20 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.76 3.82 0.00 2.57 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 7.99 4.53 0.00 2.66 2.72 0.00 0.00 6.93 7.63 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 26 S 7.84 4.65 0.00 4.16 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.92 3.41 0.00 1.45 1.32 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.52 0.00 2.09 2.37 0.00 3.27 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 29 D 8.26 4.61 0.00 2.98 2.84 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 30 W 7.65 5.13 0.00 3.49 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 31 L 7.70 4.08 0.00 1.20 0.92 0.19 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.13 0.00 2.02 2.09 0.00 3.31 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 2.01 2.03 0.00 33 Y 6.63 4.50 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 6.99 4.74 1.62 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 1.07 1.37 0.80 0.00 0.00 35 P 0.00 4.30 0.00 2.00 2.10 0.00 3.89 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 2.02 2.07 0.00 36 S 7.54 4.75 0.00 3.99 3.59 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 37 S 8.35 5.18 0.00 3.74 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 38 K 8.90 4.76 0.00 1.64 1.58 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.49 7.81 39 L 8.50 5.36 0.00 1.51 1.60 0.92 0.92 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 40 T 8.73 4.63 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 1.14 0.00 0.00 41 E 9.49 3.90 0.00 2.22 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 2.33 2.32 0.00 42 G 8.99 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 43 G 8.00 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 0.00 0.00 0.00 44 R 8.14 4.13 0.00 1.98 1.97 0.00 3.07 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 45 V 7.72 5.23 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 1.09 0.00 0.00 1.01 0.00 0.00 46 R 9.16 5.09 0.00 1.57 1.53 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.20 0.00 47 H 9.45 5.14 0.00 3.05 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.26 5.01 0.00 1.51 1.51 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.66 5.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.69 5.05 0.00 2.95 2.99 0.00 0.00 6.64 7.05 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 51 P 0.00 4.25 0.00 2.07 2.19 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 52 D 8.13 4.38 0.00 2.79 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 53 G 8.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.10 4.13 0.00 2.03 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 0.00 2.30 2.29 0.00 55 T 8.43 5.21 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 1.28 0.00 0.00 56 I 9.16 4.56 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 1.07 0.86 0.98 0.00 0.00 57 I 8.43 4.83 1.84 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 0.97 0.53 0.80 0.00 0.00 58 E 9.13 5.11 0.00 1.91 2.20 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 2.37 2.23 0.00 59 R 9.14 5.12 0.00 1.99 1.93 0.00 3.17 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 1.81 1.62 0.00 60 L 9.05 3.97 0.00 0.30 1.30 0.37 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.70 4.59 0.00 2.09 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 2.56 2.48 0.00 62 V 7.65 4.67 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.04 0.00 0.00 63 F 8.58 5.14 0.00 3.02 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 64 N 7.68 4.37 0.00 2.15 1.67 0.00 0.00 6.58 8.15 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 65 D 8.70 4.21 0.00 3.16 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 66 K 7.77 3.90 0.00 1.69 1.77 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.37 7.81 67 E 7.81 4.10 0.00 1.90 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 2.23 2.25 0.00 68 R 6.64 2.00 0.00 1.55 0.87 0.00 2.99 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.15 0.00 69 Y 6.72 5.55 0.00 3.09 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.49 5.49 0.00 3.36 3.34 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 71 T 9.60 5.50 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 1.31 0.00 0.00 72 Y 9.23 5.72 0.00 3.57 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 73 S 9.46 5.57 0.00 4.11 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 0.00 74 I 8.59 4.80 2.08 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 1.61 1.08 1.02 0.00 0.00 *76 N 8.44 4.56 0.00 2.65 2.78 0.00 0.00 6.47 7.13 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 77 A 8.24 4.52 0.96 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 0.00 0.00 78 P 0.00 4.55 0.00 1.94 1.91 0.00 2.81 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.74 0.00 79 F 7.35 4.98 0.00 2.90 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 80 P 0.00 4.78 0.00 2.23 2.24 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 81 V 7.33 5.10 2.27 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 0.52 0.00 0.00 0.84 0.00 0.00 82 T 8.81 4.72 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 1.36 0.00 0.00 83 N 8.83 4.48 0.00 3.04 2.93 0.00 0.00 6.45 7.48 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 84 Y 8.14 4.94 0.00 3.23 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 85 L 8.55 4.95 0.00 1.48 1.38 0.92 0.62 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 86 S 8.79 4.90 0.00 3.41 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 87 T 9.14 5.16 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 1.20 0.00 0.00 88 I 8.18 4.60 0.75 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.98 0.07 0.00 0.00 89 Q 9.20 4.79 0.00 1.96 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.13 2.39 0.00 90 V 8.50 4.40 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 0.81 0.00 0.00 1.09 0.00 0.00 91 K 8.79 4.46 0.00 1.81 1.65 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.33 7.81 92 E 8.66 4.16 0.00 1.79 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 0.00 2.28 2.35 0.00 93 G 8.67 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 0.00 0.00 0.00 0.00 94 T 8.50 4.03 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 1.21 0.00 0.00 95 E 7.88 4.76 0.00 2.00 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 2.17 2.16 0.00 96 S 8.56 4.24 0.00 3.96 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 97 N 8.04 4.91 0.00 2.82 2.90 0.00 0.00 5.82 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 98 T 7.49 5.15 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 1.16 0.00 0.00 99 S 9.14 4.84 0.00 3.57 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.68 4.33 0.00 1.89 1.54 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.10 4.50 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 0.83 0.00 0.00 0.82 0.00 0.00 102 E 9.22 5.09 0.00 2.01 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 0.00 2.20 2.24 0.00 103 W 9.21 5.31 0.00 3.35 2.56 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 0.00 104 S 9.45 5.40 0.00 4.01 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 0.00 105 G 9.76 4.83 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 0.00 0.00 0.00 106 T 8.51 5.02 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 1.15 0.00 0.00 107 F 7.75 5.40 0.00 3.22 3.35 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 0.00 108 T 8.91 4.71 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 1.26 0.00 0.00 109 P 0.00 4.93 0.00 2.01 2.08 0.00 3.68 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 2.35 2.32 0.00 110 V 8.53 4.27 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 0.98 0.00 0.00 1.04 0.00 0.00 111 A 9.49 3.95 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 0.00 112 V 7.10 4.57 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 0.81 0.00 0.00 0.95 0.00 0.00 113 S 8.31 4.44 0.00 4.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.61 4.44 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.17 3.95 0.00 2.05 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 2.39 2.42 0.00 116 E 8.15 3.96 0.00 2.07 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 2.28 2.30 0.00 117 A 8.02 3.93 1.46 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 0.00 118 I 8.14 3.84 2.12 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 1.56 0.87 0.93 0.00 0.00 119 N 8.20 4.28 0.00 2.87 2.76 0.00 0.00 6.91 5.96 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 0.00 120 L 7.88 3.75 0.00 1.71 1.68 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.53 2.84 1.63 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 0.16 0.00 0.00 0.12 0.00 0.00 122 H 8.36 3.92 0.00 3.21 3.20 0.00 5.64 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 0.00 123 G 8.02 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 0.00 124 I 7.14 3.51 1.45 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.35 0.68 0.00 0.00 125 Y 7.25 3.26 0.00 2.82 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 0.00 126 S 8.34 4.18 0.00 3.83 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.32 4.55 0.00 2.90 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 0.00 128 G 8.37 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 0.00 129 L 8.61 4.33 0.00 1.91 1.88 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.27 4.09 0.00 2.10 1.93 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.73 7.81 131 A 8.35 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.60 4.23 0.00 2.14 2.05 0.76 0.58 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 0.00 133 Q 8.11 3.97 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 134 H 8.60 4.29 0.00 3.29 3.56 0.00 5.65 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 0.00 135 A 8.27 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.86 4.12 0.00 3.08 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 0.00 137 L 7.65 4.24 0.00 1.85 1.74 1.03 1.08 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 0.00 138 D 7.50 4.90 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.