NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2074 8.1400 114.7816 57.7346 64.5615 173.9280 2 L 3.9649 8.4189 121.9488 58.0125 41.5235 177.6217 3 L 4.0932 8.5089 119.6770 57.4446 41.8644 178.6575 4 E 4.1237 8.2580 118.6214 59.0715 29.6034 178.6677 5 F 4.6616 8.4422 120.3909 61.4372 39.4632 176.9486 6 G 3.5659 8.0683 104.7973 47.9303 0.0000 175.4039 7 K 3.9507 8.0335 122.3551 59.0386 32.1258 178.5753 8 M 4.2594 8.6038 118.9197 58.7560 32.1489 178.2061 9 I 3.6133 7.7705 120.0231 64.1689 37.0933 178.1038 10 L 4.1498 7.7515 122.2992 57.7308 41.7858 178.5155 11 E 4.0692 7.8442 117.0861 59.7355 29.5573 179.3315 12 E 4.1383 8.0286 116.9334 59.2367 29.8101 178.7648 13 T 4.4974 8.4704 106.4556 60.4443 69.8106 174.8372 14 G 3.8069 8.7443 111.0266 46.5726 0.0000 173.1948 *16 K 4.7405 7.4955 117.1646 55.7252 33.0003 175.1840 17 L 4.0322 8.2639 122.7030 54.4409 41.7335 177.5397 18 A 3.9573 8.8874 127.9755 55.3982 17.7542 178.3102 19 I 3.8214 7.0902 115.5567 63.1673 37.2471 175.7246 20 P 4.0461 0.0000 0.0000 65.7177 31.9363 179.5703 21 S 4.1648 6.8661 115.7396 62.5463 63.3886 175.4568 22 Y 4.6973 7.8192 116.6043 57.8925 38.0968 177.0963 23 S 4.7555 8.2504 116.8223 59.4691 64.2646 175.1960 24 S 5.1797 7.8226 117.3033 57.2096 62.7437 172.6145 25 Y 4.9413 8.0883 121.5791 58.2738 40.8156 175.9313 26 G 3.4618 7.8480 115.0697 47.1978 0.0000 172.7658 27 C 4.5008 8.8157 113.9418 57.8887 39.6261 174.3777 28 Y 4.3087 8.8402 115.8100 57.7469 39.1504 175.0140 29 C 4.5780 8.2241 118.5945 62.5365 27.3035 174.2767 30 G 4.0630 9.9996 114.0883 46.1926 0.0000 171.6160 31 W 4.7031 7.5545 127.0895 57.2133 33.8491 174.2542 32 G 3.9662 7.0775 106.5431 45.7430 0.0000 174.0856 33 G 4.3338 8.2756 110.7853 44.4372 0.0000 171.5972 34 K 4.3828 7.0813 117.0450 57.4790 34.9510 174.5114 35 G 3.7776 8.8534 105.4558 44.8708 0.0000 171.7715 36 T 4.4863 8.0266 115.2103 60.7474 70.3267 172.7663 37 P 4.6603 0.0000 0.0000 63.0451 31.9082 176.8452 38 K 3.8453 9.5550 123.2769 59.1431 32.1947 176.3121 39 D 4.3740 7.5895 115.7346 51.1495 41.7904 175.2727 40 A 4.0137 8.6035 119.9452 56.3294 17.9807 179.5276 41 T 3.9909 8.0630 112.6548 67.1522 68.4946 176.1460 42 D 4.5462 8.6019 119.6101 57.3138 41.1429 178.4651 43 R 3.9131 8.6136 119.3165 59.2487 30.0119 178.1015 44 C 4.0940 8.6437 116.6501 60.4025 38.4905 176.0037 45 C 4.1242 8.1217 117.9262 62.8413 27.7853 175.8279 46 F 3.7179 8.4471 122.3775 61.2780 38.7390 177.4354 47 V 3.2028 8.0538 117.9204 66.0782 31.3559 177.2419 48 H 3.7353 8.3109 118.3792 59.5073 29.6882 176.8797 49 D 4.1584 8.5346 120.7686 57.4398 40.3544 178.1907 50 C 4.1003 7.4854 116.3345 59.8173 34.5541 174.8332 51 C 4.2129 8.4353 120.7799 60.0433 41.0171 175.4040 52 Y 4.3041 7.8612 118.3529 60.9089 37.1695 178.4805 53 G 3.8764 7.6824 105.4222 47.4370 0.0000 174.4204 54 N 4.7174 7.7457 115.7446 53.2202 40.2195 175.2642 55 L 4.7849 7.7361 120.2770 52.0172 41.9068 174.1829 56 P 4.2111 0.0000 0.0000 65.7839 32.1597 178.4242 *59 D 4.8716 7.8112 115.2357 54.3723 42.2175 175.5969 *61 C 5.3262 7.6825 116.2002 57.3709 37.5530 173.0261 *67 N 4.8564 7.9507 114.8983 52.5864 38.4308 173.2050 68 P 3.9008 0.0000 0.0000 65.3903 32.1228 178.8377 69 K 3.9376 7.9551 116.9893 58.8701 32.1182 178.5482 70 S 4.5574 7.7466 110.0084 58.0916 64.9953 173.7703 71 D 4.4375 8.5075 121.8712 53.9361 41.3682 175.6079 72 R 4.6342 8.3590 125.5617 55.2175 31.6219 174.7290 73 Y 4.9910 8.1935 118.1125 55.5417 41.5990 174.1031 74 K 4.9990 8.5320 117.8495 55.1419 35.7582 175.1142 75 Y 5.4454 8.1130 118.9986 56.1867 40.8705 173.2936 76 K 4.7746 9.4377 120.4939 55.2167 36.7793 174.5474 77 R 5.1442 8.5295 118.0053 54.5520 33.3744 176.3313 78 V 4.1006 8.6960 123.9088 61.6928 31.4548 174.9229 79 N 4.1040 9.3449 127.4743 54.1163 35.5851 175.9031 80 G 3.9415 8.5170 106.3967 45.2764 0.0000 173.8076 81 A 4.2292 7.6458 122.7093 51.4966 19.2711 177.1620 82 I 4.2718 8.4286 124.4420 61.6322 38.1923 175.9917 83 V 4.3832 9.2115 126.5356 61.1951 34.4027 173.7058 84 C 5.0259 8.9325 126.1686 56.9777 40.7050 173.5158 85 E 4.6338 8.8769 123.6967 54.4532 31.3465 176.2262 86 K 3.9481 8.5262 122.5588 56.8895 33.3546 176.0721 *88 G 4.2989 8.2666 113.7473 45.4544 0.0000 172.7010 89 T 4.2024 8.6249 113.0447 60.9694 71.0817 175.5237 90 S 4.0495 8.5460 115.4690 61.8910 62.3131 176.9345 91 C 4.2174 8.0977 118.2993 60.1259 37.7983 175.5728 92 E 3.9801 8.0932 120.0369 59.6553 29.0982 179.3008 93 N 4.2031 8.4111 116.4033 56.5205 38.7234 177.6315 94 R 3.8771 7.8890 119.2666 59.3164 30.1288 179.3047 95 I 3.6724 8.2499 119.8272 64.5151 37.0856 177.5591 96 C 3.0118 8.0241 119.6421 59.2349 41.7585 175.6082 97 E 3.7741 7.9572 120.0933 59.5133 29.0532 178.5117 98 C 4.1492 7.9457 116.4050 60.0772 41.2687 176.0666 99 D 3.8764 8.0404 120.1995 57.1215 40.5366 178.3704 100 K 3.7208 7.9782 120.1177 59.6712 32.0584 178.1478 101 A 3.8329 7.8832 120.2722 55.0945 18.3330 179.1885 102 A 3.4765 7.5725 118.5613 55.2512 18.3098 179.6482 103 A 3.9880 8.1016 119.0602 55.4232 18.4719 179.9820 104 I 3.6029 7.5827 118.1067 64.4958 36.9502 177.5377 105 C 4.0273 8.1051 118.4586 59.8700 39.3854 175.1208 106 F 4.5982 8.1275 119.3366 60.8884 38.5484 177.4604 107 R 3.9022 8.2164 117.9619 59.7801 29.7215 178.1380 108 Q 4.2246 8.4648 117.7261 58.0800 29.1533 176.4119 109 N 5.1168 7.9166 115.4338 53.2246 40.2794 175.8491 110 L 4.1260 8.3337 121.7255 58.2532 41.7556 179.4737 111 N 4.3372 8.3553 114.0778 55.7115 38.4960 175.5150 112 T 4.5320 7.9847 106.3602 60.9178 69.8528 173.9109 113 Y 4.1044 8.2751 125.3737 58.3428 39.2599 174.7934 114 S 5.0985 9.1692 123.9856 56.7959 64.9152 175.6883 *115 K 4.0779 8.7811 128.8826 57.2513 31.7509 176.1866 116 K 4.0056 7.3701 114.7145 58.9623 32.4545 176.9004 117 Y 4.5255 7.1601 117.2405 57.9769 38.2522 175.1819 118 M 4.6067 7.8825 120.8665 55.9045 32.8028 175.9255 119 L 3.7153 8.8269 121.4733 55.6995 40.0618 174.5999 120 Y 4.1469 8.1471 118.8428 56.5879 39.6944 173.5139 121 P 4.3688 0.0000 0.0000 62.5167 32.4798 176.3901 122 D 4.1243 8.9425 121.7830 57.3058 41.1305 178.2555 *124 F 4.7833 7.8266 110.7455 56.5507 39.5460 175.5639 125 L 3.5525 6.7510 118.9874 55.8068 41.5172 176.9891 126 C 4.6351 7.9178 117.9882 55.0630 38.8202 172.7018 127 K 4.5951 7.8342 122.0335 54.9188 34.6064 174.8289 128 G 3.8433 8.3656 106.6410 44.1596 0.0000 172.7457 129 E 4.7914 8.1835 115.7270 54.4830 32.4657 175.1321 130 L 4.3044 8.2905 120.5343 54.1964 44.7949 174.2105 131 K 4.4846 8.4982 126.8265 55.1333 34.1014 176.7175 *133 C 4.8320 8.4898 119.6081 57.4631 41.5303 173.8497 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 S 8.14 5.21 0.00 4.14 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 2 L 8.42 3.96 0.00 2.03 1.81 1.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.51 4.09 0.00 1.72 1.70 0.94 0.85 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 4 E 8.26 4.12 0.00 1.91 1.89 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 2.17 2.23 0.00 5 F 8.44 4.66 0.00 3.30 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 6 G 8.07 3.57 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 0.00 0.00 0.00 7 K 8.03 3.95 0.00 1.89 1.94 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.53 7.81 8 M 8.60 4.26 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.50 0.00 9 I 7.77 3.61 1.85 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.33 0.74 0.00 0.00 10 L 7.75 4.15 0.00 1.78 1.83 0.91 0.85 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 11 E 7.84 4.07 0.00 2.07 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 2.42 2.84 0.00 12 E 8.03 4.14 0.00 2.21 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 0.00 2.47 2.46 0.00 13 T 8.47 4.50 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 14 G 8.74 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 0.00 0.00 0.00 *16 K 7.50 4.74 0.00 1.87 1.63 0.00 1.67 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.42 7.81 17 L 8.26 4.03 0.00 1.68 1.61 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.89 3.96 1.22 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 0.00 0.00 19 I 7.09 3.82 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.94 0.00 0.00 20 P 0.00 4.05 0.00 2.16 1.99 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 21 S 6.87 4.16 0.00 3.70 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 22 Y 7.82 4.70 0.00 2.68 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 23 S 8.25 4.76 0.00 4.15 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 24 S 7.82 5.18 0.00 4.08 4.17 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 25 Y 8.09 4.94 0.00 3.05 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 26 G 7.85 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 0.00 0.00 0.00 27 C 8.82 4.50 0.00 3.06 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 28 Y 8.84 4.31 0.00 3.30 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 29 C 8.22 4.58 0.00 3.58 3.38 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 30 G 10.00 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 0.00 0.00 0.00 31 W 7.55 4.70 0.00 3.24 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 32 G 7.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.28 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 0.00 0.00 0.00 0.00 34 K 7.08 4.38 0.00 1.87 1.82 0.00 1.21 0.00 0.00 1.08 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 1.42 7.81 35 G 8.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.03 4.49 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 1.13 0.00 0.00 37 P 0.00 4.66 0.00 1.89 1.92 0.00 3.40 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.70 0.00 38 K 9.56 3.85 0.00 0.79 0.74 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.96 0.36 7.81 39 D 7.59 4.37 0.00 2.80 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 40 A 8.60 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.06 3.99 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 1.22 0.00 0.00 42 D 8.60 4.55 0.00 2.97 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 43 R 8.61 3.91 0.00 2.01 1.96 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 44 C 8.64 4.09 0.00 3.08 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 45 C 8.12 4.12 0.00 3.41 3.36 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 46 F 8.45 3.72 0.00 2.52 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 47 V 8.05 3.20 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 0.80 0.00 0.00 0.95 0.00 0.00 48 H 8.31 3.74 0.00 2.99 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.53 4.16 0.00 2.80 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 50 C 7.49 4.10 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.44 4.21 0.00 2.86 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 52 Y 7.86 4.30 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.68 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 54 N 7.75 4.72 0.00 2.81 2.84 0.00 0.00 6.77 8.69 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 55 L 7.74 4.78 0.00 1.47 1.52 0.88 0.87 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 56 P 0.00 4.21 0.00 2.16 2.10 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 *59 D 7.81 4.87 0.00 2.74 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 *61 C 7.68 5.33 0.00 2.88 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 *67 N 7.95 4.86 0.00 2.72 2.76 0.00 0.00 7.60 8.03 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 68 P 0.00 3.90 0.00 1.10 0.49 0.00 3.44 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 69 K 7.96 3.94 0.00 1.75 1.91 0.00 1.73 0.00 0.00 2.02 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.40 7.81 70 S 7.75 4.56 0.00 3.91 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 71 D 8.51 4.44 0.00 2.65 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 72 R 8.36 4.63 0.00 1.80 1.98 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 73 Y 8.19 4.99 0.00 3.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.53 5.00 0.00 1.78 1.86 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.37 7.81 75 Y 8.11 5.45 0.00 3.03 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 76 K 9.44 4.77 0.00 1.80 1.95 0.00 1.27 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.44 7.81 77 R 8.53 5.14 0.00 1.73 1.91 0.00 3.45 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 78 V 8.70 4.10 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 1.01 0.00 0.00 0.96 0.00 0.00 79 N 9.34 4.10 0.00 2.91 2.91 0.00 0.00 7.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.52 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 0.00 0.00 0.00 81 A 7.65 4.23 1.38 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 82 I 8.43 4.27 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.71 0.00 0.00 83 V 9.21 4.38 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 1.08 0.00 0.00 1.03 0.00 0.00 84 C 8.93 5.03 0.00 2.86 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 85 E 8.88 4.63 0.00 1.92 1.91 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 2.33 2.31 0.00 86 K 8.53 3.95 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.45 7.81 *88 G 8.27 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.62 4.20 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 90 S 8.55 4.05 0.00 3.89 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 91 C 8.10 4.22 0.00 2.99 3.09 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 92 E 8.09 3.98 0.00 2.30 2.14 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 2.64 2.49 0.00 93 N 8.41 4.20 0.00 2.80 2.81 0.00 0.00 7.08 7.57 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 94 R 7.89 3.88 0.00 1.95 1.93 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 95 I 8.25 3.67 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 1.02 0.00 0.00 96 C 8.02 3.01 0.00 1.68 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 97 E 7.96 3.77 0.00 2.13 1.89 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 2.43 2.42 0.00 98 C 7.95 4.15 0.00 3.21 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 99 D 8.04 3.88 0.00 2.86 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 0.00 100 K 7.98 3.72 0.00 1.80 1.94 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 7.88 3.83 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 0.00 102 A 7.57 3.48 1.16 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 0.00 0.00 103 A 8.10 3.99 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 0.00 104 I 7.58 3.60 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.88 0.00 0.00 105 C 8.11 4.03 0.00 2.87 2.93 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 0.00 106 F 8.13 4.60 0.00 3.05 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 0.00 107 R 8.22 3.90 0.00 2.02 2.20 0.00 3.31 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 108 Q 8.46 4.22 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 109 N 7.92 5.12 0.00 2.89 2.83 0.00 0.00 6.83 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 0.00 110 L 8.33 4.13 0.00 1.87 1.78 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.36 4.34 0.00 2.76 2.95 0.00 0.00 6.74 7.54 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 0.00 112 T 7.98 4.53 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 1.27 0.00 0.00 113 Y 8.28 4.10 0.00 3.07 2.93 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 0.00 114 S 9.17 5.10 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *115 K 8.78 4.08 0.00 1.72 1.80 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.00 7.81 116 K 7.37 4.01 0.00 1.68 1.76 0.00 1.22 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.80 0.22 7.81 117 Y 7.16 4.53 0.00 1.71 1.60 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 0.00 118 M 7.88 4.61 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.71 0.00 119 L 8.83 3.72 0.00 1.77 1.77 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.15 4.15 0.00 3.01 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 0.00 121 P 0.00 4.37 0.00 2.61 2.22 0.00 2.84 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.83 0.00 122 D 8.94 4.12 0.00 2.56 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 *124 F 7.83 4.78 0.00 3.23 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 0.00 125 L 6.75 3.55 0.00 1.12 1.50 0.19 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.92 4.64 0.00 2.99 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 0.00 127 K 7.83 4.60 0.00 1.68 1.68 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.47 7.81 128 G 8.37 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 0.00 129 E 8.18 4.79 0.00 2.06 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 2.17 2.23 0.00 130 L 8.29 4.30 0.00 1.43 1.38 0.81 -0.23 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 0.00 131 K 8.50 4.48 0.00 1.87 1.69 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.49 7.81 *133 C 8.49 4.83 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.