NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7401 8.1633 120.2872 55.4017 34.4070 173.6972 2 V 4.8263 8.8067 113.6635 58.7742 35.5839 172.9536 3 L 4.5170 9.1867 127.1857 53.3746 44.4123 174.7375 4 I 4.8597 8.5860 128.0062 59.7587 39.2580 174.4983 5 L 4.9609 8.9566 127.9560 52.7800 44.7237 175.5824 6 N 5.3375 8.9076 120.4484 51.7046 42.0358 174.9830 7 G 4.4888 8.5159 111.4688 42.6433 0.0000 171.0828 8 P 4.3704 0.0000 0.0000 64.4001 31.8529 176.9369 9 N 4.4649 9.2757 116.7920 53.8662 37.8624 176.2068 10 L 4.2047 7.4798 117.2908 56.2855 42.1056 178.6125 11 N 4.4213 8.2480 115.3314 55.1387 37.2870 175.4720 12 L 4.4640 7.6637 117.9164 53.9803 42.3173 175.9378 13 L 3.9139 7.4876 122.0078 56.7448 42.0354 176.5260 14 G 4.3806 8.6158 119.4327 46.5109 0.0000 175.3008 15 R 3.9818 7.6755 120.3544 57.3493 30.6483 177.1432 16 R 4.0754 7.6241 114.3440 55.5684 28.8015 175.9439 17 E 4.0404 8.7431 124.0600 55.1897 30.3756 171.6883 18 P 4.7566 0.0000 0.0000 63.8045 33.1778 176.7697 19 E 4.2373 8.1449 116.2748 58.0547 30.2364 177.0717 20 V 3.3487 7.5707 115.9474 66.3685 31.7174 176.4247 21 Y 4.1691 7.7818 116.1012 61.3648 38.4864 174.8302 22 G 3.8483 7.9751 101.8792 44.3780 0.0000 173.2862 23 R 4.3504 8.5020 113.4062 56.3892 30.3743 176.1828 24 T 4.2104 7.7482 114.7861 62.1409 67.9824 174.5480 25 T 4.7624 8.7619 121.4791 59.8159 71.5942 175.8257 26 L 3.8888 8.2433 121.5730 58.3356 42.1575 178.0857 27 E 3.7898 8.2088 118.1416 59.9169 29.3397 179.4794 28 E 3.8301 8.0109 117.9994 58.9480 29.3887 179.0161 29 L 3.7238 8.1717 121.1906 57.9905 42.1128 178.8930 30 E 2.8277 7.4834 117.1014 59.0182 29.4000 178.9122 31 A 3.7809 7.4859 121.8217 54.5940 18.2795 179.5811 32 L 3.2230 7.7796 117.7437 57.9580 41.5433 179.6623 33 C 4.4667 7.9872 116.7764 62.5553 28.1222 175.8211 34 E 3.9089 8.0797 121.0706 59.1260 29.0950 178.7401 35 A 3.9996 7.6632 120.3295 54.7953 18.3392 179.4413 36 W 4.6888 8.0180 117.0080 60.0431 29.4823 178.7010 37 G 3.8380 8.5761 105.3679 47.7817 0.0000 175.7194 38 A 4.0176 7.9791 123.6736 54.7905 18.2823 179.3153 39 E 4.0203 7.7261 114.9902 58.7614 29.2554 177.7249 40 L 4.5571 7.9459 119.0356 54.4356 42.5757 176.6873 41 G 3.8976 8.5785 103.3374 45.1339 0.0000 173.1472 42 L 4.6964 7.7272 119.6180 52.3112 43.5422 176.9299 43 G 3.9035 8.7752 111.8042 46.4175 0.0000 172.3506 44 V 5.3365 8.3806 115.3589 59.2413 35.6604 175.2267 45 V 4.6010 8.6445 123.0872 59.8694 34.4468 174.2219 46 F 5.1876 8.7021 124.2471 56.6423 41.9002 174.0834 47 R 4.6630 8.4911 124.1693 54.4125 34.3246 174.0195 48 Q 5.1446 8.6579 121.8554 54.9957 32.3520 173.8911 49 T 4.9054 9.0191 118.4806 61.1318 70.6872 173.2695 50 N 4.6726 9.0981 122.3349 53.6563 39.4502 174.9991 51 Y 4.5527 7.9122 118.1399 55.6688 40.1794 175.4763 52 E 3.9338 8.9623 126.0318 59.6114 29.6570 179.0506 53 G 3.6142 8.1497 104.8769 47.9252 0.0000 175.1506 54 Q 3.4194 7.8263 121.3395 58.4908 29.0665 177.8157 55 L 3.9740 7.6295 121.3282 58.1538 42.0535 178.8724 56 I 3.6874 7.9114 119.9674 64.5157 37.0745 178.1340 57 E 3.9399 8.1475 119.2507 59.4074 28.8595 179.4950 58 W 4.5893 7.9673 118.7780 60.0215 28.8381 179.0768 59 V 3.7685 7.9423 111.5504 64.5699 31.1137 178.3401 60 Q 4.1863 8.4100 117.0832 58.2233 28.7074 177.7229 61 Q 4.4973 8.0420 117.9079 56.0082 29.7776 176.8224 62 A 4.3205 7.8041 121.1021 56.2221 18.5016 179.2760 63 H 4.2954 8.3470 112.4188 58.7564 29.0326 177.7425 64 Q 3.8940 7.7332 118.0618 58.5643 28.6838 176.6256 65 E 4.1926 7.9117 115.1583 56.4467 29.2912 176.9461 66 G 3.8969 7.8772 109.0734 45.3200 0.0000 174.8414 67 F 4.4049 6.8454 117.4886 58.2105 39.2998 174.7661 68 L 4.6823 8.5914 124.3286 55.5541 43.3701 175.3332 69 A 4.6900 7.5609 118.2851 51.9007 22.9107 174.7339 70 I 5.0120 8.3249 119.0550 59.6478 41.1433 175.0839 71 V 4.6349 8.8859 127.1710 61.1608 33.7128 174.2124 72 L 5.0110 9.2769 129.6343 53.5766 45.3296 174.5766 73 N 5.1189 8.8442 126.4710 50.6351 38.5384 173.5256 74 P 4.2902 0.0000 0.0000 62.7647 32.7052 178.2642 75 G 4.2349 8.5156 107.4487 45.9856 0.0000 174.7126 76 A 4.2452 8.4852 119.8704 54.2828 18.4882 179.3208 77 L 3.2023 7.8288 117.4623 56.8839 41.5989 179.1366 78 T 3.7909 7.6734 110.1291 64.4129 68.4145 175.2040 79 H 4.9255 7.9574 118.0938 55.5328 29.2582 175.1881 80 Y 4.6827 7.3035 114.7909 56.0797 41.7872 176.0353 81 S 4.2644 7.7467 117.0628 57.4417 60.9806 173.4226 82 Y 4.1998 8.1404 125.4531 60.0294 37.9261 177.2737 83 A 4.0142 8.1482 121.8351 55.1733 18.4938 179.2250 84 L 3.8751 8.1117 119.0437 57.9654 42.1521 178.6171 85 L 3.9329 7.9449 120.3572 58.6779 41.9519 178.9320 86 D 4.4131 8.5181 118.4914 57.0408 40.4441 178.6417 87 A 4.0153 7.9168 120.9942 55.1973 18.6099 179.4222 88 I 3.8355 7.8248 111.6369 64.3192 37.4284 178.6911 89 R 3.9481 7.9610 118.7134 58.6193 29.9754 178.1869 90 A 4.2771 8.3096 118.9928 52.3707 18.6003 176.7792 91 Q 4.6382 7.0957 114.9789 53.3323 31.6346 173.9540 92 P 4.4578 0.0000 0.0000 64.2495 32.1131 176.4924 93 L 4.4632 8.0946 120.0197 53.5002 42.6420 175.2655 94 P 4.4441 0.0000 0.0000 63.1257 32.6856 175.0443 95 V 4.8370 8.4275 121.9882 61.1125 34.7580 173.8251 96 V 4.4850 8.7044 128.1337 61.1946 33.4718 173.8800 97 E 4.8404 8.6621 129.5037 55.2677 31.0546 174.9977 98 V 4.8396 8.2301 125.3132 61.6106 35.6597 173.4933 99 H 5.0763 9.1032 123.4277 54.0823 32.7147 174.1152 100 L 4.4451 9.2188 123.3600 57.9939 42.3684 177.7659 101 T 4.4167 7.8223 106.2966 59.8336 70.9048 173.8943 102 N 4.4741 8.1548 120.6779 52.3325 38.1913 175.3997 103 L 3.8814 8.3753 126.9840 57.9816 41.8039 178.2997 104 H 4.4184 8.2408 113.0052 56.4275 28.7620 175.4151 105 A 4.7858 7.6742 121.6824 51.7066 19.7586 176.6849 106 R 4.5217 7.3696 119.0526 56.5483 32.4134 175.1655 107 E 4.0561 8.3045 120.0456 57.0510 30.4054 177.3465 108 E 3.8773 8.8506 122.3635 59.2925 30.0804 179.3066 109 F 4.3149 8.1380 113.4727 59.6818 38.1318 177.2336 110 R 3.2995 6.3186 119.2319 57.9460 29.7581 177.7876 111 R 3.8678 7.6040 116.1865 57.4774 30.3138 175.7408 112 H 4.8240 8.0039 118.6090 54.0972 31.2562 172.8601 113 S 4.9652 8.4726 121.1912 56.6213 63.7008 174.1091 114 V 3.7894 8.5443 122.1257 63.3786 31.9123 177.6073 115 T 4.0811 7.7630 109.5541 63.5433 69.7888 176.5123 116 A 3.9886 8.0562 125.6179 54.7806 18.4487 177.8098 117 P 4.2170 0.0000 0.0000 65.1533 31.4361 177.0078 118 A 4.4563 7.8179 118.5006 52.2649 19.3579 176.9657 119 C 4.5827 7.4876 113.6791 58.8774 29.2740 174.1639 120 R 4.0395 8.7845 122.4116 59.4662 30.2973 176.6517 121 G 4.0165 7.3183 103.0327 45.7129 0.0000 171.3275 122 I 5.3109 8.1848 119.0512 59.0856 41.2733 175.3060 123 V 4.7496 8.7921 128.3156 59.9666 34.1018 174.5846 124 S 5.6754 8.4156 117.9296 58.6084 65.2434 174.0876 125 G 3.7018 9.0340 109.5269 45.7820 0.0000 174.1595 126 F 4.8015 7.5469 117.5162 56.8715 39.8707 178.0457 127 G 3.8751 8.2344 110.4958 45.7509 0.0000 174.0511 128 P 4.5080 0.0000 0.0000 66.1409 31.2926 178.1462 129 L 3.9128 8.3017 116.9205 57.5493 41.5956 179.2319 130 S 4.2874 8.6180 115.6474 62.0464 62.7235 176.3960 131 Y 4.0158 8.5945 119.3265 60.7937 37.6317 178.0899 132 K 3.4442 7.7282 120.0981 59.3755 32.1012 178.6495 133 L 3.8029 7.8818 119.0063 57.6359 41.4854 179.3960 134 A 4.0652 7.8105 120.3870 54.9501 18.1973 179.7072 135 L 4.0056 8.0191 117.8729 57.9756 41.6277 180.0502 136 V 3.5654 7.9231 119.2268 64.8393 31.2284 177.7212 137 Y 4.0829 8.0935 120.0144 60.5711 38.4864 178.0662 138 L 3.7046 7.8227 118.0764 57.6986 41.8004 179.0453 139 A 4.0847 7.9324 119.7742 55.2570 18.3903 179.0787 140 E 3.9244 7.6975 116.7571 58.0073 29.9741 177.0944 141 T 4.2036 6.5765 116.5188 62.3504 70.3948 175.3031 *142 L 4.1415 8.2646 122.3354 54.6835 41.6354 177.8132 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 M 8.16 4.74 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.74 0.00 2 V 8.81 4.83 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 0.84 0.00 0.00 0.97 0.00 0.00 3 L 9.19 4.52 0.00 0.92 1.13 0.66 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.59 4.86 1.85 0.00 0.00 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 1.32 0.64 0.94 0.00 0.00 5 L 8.96 4.96 0.00 1.48 1.60 0.98 0.24 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 6 N 8.91 5.34 0.00 2.71 2.67 0.00 0.00 6.49 7.74 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 7 G 8.52 4.49 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 0.00 0.00 0.00 8 P 0.00 4.37 0.00 2.06 2.00 0.00 3.98 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 9 N 9.28 4.46 0.00 2.91 2.92 0.00 0.00 7.04 6.34 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 10 L 7.48 4.20 0.00 1.90 1.76 1.08 0.55 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 11 N 8.25 4.42 0.00 2.86 3.23 0.00 0.00 6.00 7.79 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 12 L 7.66 4.46 0.00 1.84 1.68 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.49 3.91 0.00 1.94 1.55 0.80 1.02 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 14 G 8.62 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.68 3.98 0.00 1.82 2.01 0.00 3.37 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 16 R 7.62 4.08 0.00 1.88 2.05 0.00 3.01 0.00 0.00 2.84 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 17 E 8.74 4.04 0.00 2.35 2.21 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 2.22 2.46 0.00 18 P 0.00 4.76 0.00 2.25 2.27 0.00 3.76 0.00 0.00 3.80 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 19 E 8.14 4.24 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 20 V 7.57 3.35 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 0.00 0.00 0.84 0.00 0.00 21 Y 7.78 4.17 0.00 3.28 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 22 G 7.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.50 4.35 0.00 2.01 2.20 0.00 2.99 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 24 T 7.75 4.21 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 1.26 0.00 0.00 25 T 8.76 4.76 4.22 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 0.00 0.00 1.20 0.00 0.00 26 L 8.24 3.89 0.00 1.96 1.73 1.20 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.21 3.79 0.00 1.97 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 2.35 2.40 0.00 28 E 8.01 3.83 0.00 2.10 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 2.24 2.22 0.00 29 L 8.17 3.72 0.00 1.71 1.45 0.52 0.64 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 30 E 7.48 2.83 0.00 1.65 1.12 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 1.58 2.08 0.00 31 A 7.49 3.78 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.78 3.22 0.00 1.45 0.62 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.99 4.47 0.00 3.04 3.22 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 0.00 0.00 0.00 34 E 8.08 3.91 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 35 A 7.66 4.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.02 4.69 0.00 3.74 3.22 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 0.00 0.00 0.00 37 G 8.58 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 38 A 7.98 4.02 1.39 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 39 E 7.73 4.02 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 40 L 7.95 4.56 0.00 1.58 1.98 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.58 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.73 4.70 0.00 1.55 1.65 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.78 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.38 5.34 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 0.89 0.00 0.00 1.02 0.00 0.00 45 V 8.64 4.60 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 1.21 0.00 0.00 0.88 0.00 0.00 46 F 8.70 5.19 0.00 2.97 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 47 R 8.49 4.66 0.00 0.98 0.66 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.11 0.00 48 Q 8.66 5.14 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 49 T 9.02 4.91 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 1.20 0.00 0.00 50 N 9.10 4.67 0.00 2.65 2.64 0.00 0.00 6.83 7.46 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 51 Y 7.91 4.55 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.96 3.93 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 53 G 8.15 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 0.00 0.00 0.00 54 Q 7.83 3.42 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 55 L 7.63 3.97 0.00 1.96 1.68 0.91 1.26 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 56 I 7.91 3.69 2.02 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 1.51 0.61 0.90 0.00 0.00 57 E 8.15 3.94 0.00 1.87 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 2.21 2.50 0.00 58 W 7.97 4.59 0.00 3.55 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 59 V 7.94 3.77 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 0.90 0.00 0.00 0.97 0.00 0.00 60 Q 8.41 4.19 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 61 Q 8.04 4.50 0.00 2.49 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 62 A 7.80 4.32 1.44 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 0.00 0.00 0.00 63 H 8.35 4.30 0.00 3.43 3.62 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.73 3.89 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 65 E 7.91 4.19 0.00 2.02 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 2.36 2.28 0.00 66 G 7.88 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 67 F 6.85 4.40 0.00 3.16 2.98 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 68 L 8.59 4.68 0.00 1.66 1.88 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.56 4.69 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 70 I 8.32 5.01 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.91 0.00 0.00 71 V 8.89 4.63 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 0.78 0.00 0.00 0.98 0.00 0.00 72 L 9.28 5.01 0.00 1.67 1.40 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.84 5.12 0.00 2.78 2.78 0.00 0.00 7.07 7.22 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 74 P 0.00 4.29 0.00 2.23 2.00 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 75 G 8.52 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 76 A 8.49 4.25 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.83 3.20 0.00 1.61 1.36 0.82 0.28 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 78 T 7.67 3.79 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 1.21 0.00 0.00 79 H 7.96 4.93 0.00 3.50 3.64 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.30 4.68 0.00 2.96 2.90 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 0.00 0.00 0.00 81 S 7.75 4.26 0.00 3.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.14 4.20 0.00 3.15 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 83 A 8.15 4.01 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 84 L 8.11 3.88 0.00 1.68 1.69 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.94 3.93 0.00 1.79 1.92 1.13 1.10 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 86 D 8.52 4.41 0.00 2.84 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 87 A 7.92 4.02 1.39 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 88 I 7.82 3.84 1.88 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 1.53 0.97 0.95 0.00 0.00 89 R 7.96 3.95 0.00 1.96 2.05 0.00 3.34 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 90 A 8.31 4.28 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 91 Q 7.10 4.64 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 92 P 0.00 4.46 0.00 2.19 2.18 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 93 L 8.09 4.46 0.00 1.66 1.69 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.44 0.00 2.20 2.25 0.00 3.77 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 2.19 2.01 0.00 95 V 8.43 4.84 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 1.05 0.00 0.00 0.99 0.00 0.00 96 V 8.70 4.48 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 0.80 0.00 0.00 1.03 0.00 0.00 97 E 8.66 4.84 0.00 2.05 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 98 V 8.23 4.84 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 -0.02 0.00 0.00 0.72 0.00 0.00 99 H 9.10 5.08 0.00 3.12 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.22 4.45 0.00 1.89 1.95 1.19 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.82 4.42 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 0.84 0.00 0.00 102 N 8.15 4.47 0.00 2.59 2.66 0.00 0.00 6.87 6.66 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 0.00 103 L 8.38 3.88 0.00 1.47 1.72 0.75 1.03 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 0.00 104 H 8.24 4.42 0.00 3.19 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.67 4.79 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 0.00 106 R 7.37 4.52 0.00 1.56 1.58 0.00 3.05 0.00 0.00 3.08 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 107 E 8.30 4.06 0.00 1.50 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 0.00 2.48 2.32 0.00 108 E 8.85 3.88 0.00 1.99 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 2.30 0.00 109 F 8.14 4.31 0.00 3.22 3.25 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 0.00 110 R 6.32 3.30 0.00 1.45 1.69 0.00 2.92 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 111 R 7.60 3.87 0.00 1.78 1.93 0.00 3.08 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 112 H 8.00 4.82 0.00 3.16 3.11 0.00 5.54 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.47 4.97 0.00 3.85 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 0.00 114 V 8.54 3.79 1.51 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 0.27 0.00 0.00 0.56 0.00 0.00 115 T 7.76 4.08 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 1.13 0.00 0.00 116 A 8.06 3.99 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 0.00 117 P 0.00 4.22 0.00 2.08 2.16 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 118 A 7.82 4.46 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 0.00 119 C 7.49 4.58 0.00 3.14 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 0.00 120 R 8.78 4.04 0.00 1.78 1.92 0.00 3.46 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 121 G 7.32 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 0.00 122 I 8.18 5.31 1.84 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 1.41 0.95 0.90 0.00 0.00 123 V 8.79 4.75 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 0.80 0.00 0.00 1.14 0.00 0.00 124 S 8.42 5.68 0.00 4.01 3.87 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 0.00 125 G 9.03 3.70 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 0.00 0.00 0.00 126 F 7.55 4.80 0.00 3.18 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 0.00 127 G 8.23 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 0.00 0.00 0.00 128 P 0.00 4.51 0.00 2.52 2.35 0.00 3.78 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 2.25 2.32 0.00 129 L 8.30 3.91 0.00 2.10 1.66 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.62 4.29 0.00 4.00 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 0.00 131 Y 8.59 4.02 0.00 3.58 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.73 3.44 0.00 0.79 1.16 0.00 1.19 0.00 0.00 1.35 0.00 0.00 2.38 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.42 0.21 7.81 133 L 7.88 3.80 0.00 1.75 1.55 0.27 0.34 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 0.00 134 A 7.81 4.07 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 0.00 135 L 8.02 4.01 0.00 1.92 1.79 1.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.92 3.57 2.01 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 0.91 0.00 0.00 0.90 0.00 0.00 137 Y 8.09 4.08 0.00 3.10 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 0.00 138 L 7.82 3.70 0.00 1.93 1.71 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.93 4.08 1.27 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 0.00 0.00 0.00 140 E 7.70 3.92 0.00 1.87 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 2.25 2.29 0.00 141 T 6.58 4.20 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 1.11 0.00 0.00 *142 L 8.26 4.14 0.00 1.41 1.48 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.