NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2702 8.3144 121.8022 55.0941 34.6172 174.9028 6 L 3.6522 7.9497 121.0142 55.1005 43.1293 174.9061 7 R 4.4479 9.9694 128.7761 55.2033 31.6781 174.1814 8 I 4.9830 8.2520 127.7073 59.7234 39.1741 175.0410 9 E 4.6641 8.9588 123.4028 54.3098 33.2176 174.3376 10 L 3.5771 8.3734 122.8051 55.6050 42.7426 176.3053 11 G 4.3413 8.0537 109.3148 44.6771 0.0000 172.4108 12 E 4.6725 8.8350 116.2910 55.0958 32.1083 174.8565 13 E 4.5624 8.2067 119.3797 54.6164 31.0260 175.0363 14 T 4.4299 8.4314 114.9119 60.0969 70.4545 173.7000 15 N 5.2422 8.3022 121.2464 49.9697 41.2101 174.5692 16 D 4.4705 8.9630 118.3028 58.0180 40.4973 179.0658 17 E 3.9719 8.1043 118.3244 59.0015 29.8507 178.3858 18 L 4.1524 8.3139 120.5561 58.2713 42.2194 178.3575 19 Y 4.0231 8.1247 116.0718 61.0856 37.4957 178.2420 20 D 4.4421 7.9437 119.0705 57.3101 41.1720 178.6599 21 L 4.1954 7.9834 119.2823 57.9666 41.8116 179.3953 22 L 4.1785 8.0073 118.3194 57.8357 41.3388 179.0157 23 L 4.8618 8.0667 118.4552 55.8374 41.7860 178.8085 24 L 4.1908 8.1736 119.4935 57.4153 41.6003 178.7077 25 A 4.5087 7.9738 119.4004 53.2090 19.3220 177.0064 26 D 4.8603 7.9820 122.9652 51.8503 41.6837 175.1076 27 P 4.1862 0.0000 0.0000 65.6402 31.7682 177.3889 28 S 4.1628 8.2476 114.8652 58.4298 62.6240 174.1396 29 K 4.0676 8.6395 131.3791 59.5181 31.9302 177.7569 30 D 4.3375 8.1128 118.9010 57.5752 40.6879 178.4203 31 I 3.7344 7.6989 119.8326 64.4753 37.0740 178.5964 32 V 2.5820 7.6397 118.6335 66.0140 31.3723 177.7272 33 D 4.2495 8.0053 118.3544 57.6301 40.5898 178.0528 34 E 3.8986 7.9093 119.6243 59.7557 29.6607 178.3513 35 Y 4.3599 7.9132 117.4992 59.2638 38.1301 177.5478 36 L 3.9795 7.4912 122.5114 57.7155 42.1329 177.9213 37 E 4.1481 7.7255 118.2717 58.8461 29.9951 178.1880 38 R 4.1700 8.0822 117.8838 57.4942 30.3400 175.7946 39 G 4.2747 7.7148 104.5453 44.5002 0.0000 172.1018 40 E 4.6139 9.0761 121.2723 54.8623 31.4503 174.0420 41 C 5.0246 8.5827 127.5522 58.1179 33.6946 171.6258 42 Y 4.7628 8.6732 124.4239 56.2210 40.5340 174.8318 43 T 4.9498 8.7620 112.6656 59.7800 72.3419 172.4662 44 A 5.1327 9.0429 126.0459 50.0932 21.5656 175.2520 45 W 5.2421 9.4671 122.7965 54.8296 32.3892 175.2028 46 A 4.2961 8.7592 124.9404 49.9746 17.3324 175.7697 47 G 4.0378 9.3196 113.7811 43.8082 0.0000 171.7693 48 D 4.7625 9.0194 121.6004 53.3896 43.9219 175.3526 49 E 4.0823 7.7663 120.8633 54.5659 30.6101 175.0246 50 L 4.0224 8.0720 127.2609 54.5224 40.9652 176.2725 51 A 4.0146 8.2527 128.7510 53.9898 18.7812 178.3206 52 G 4.5002 8.4908 100.0401 46.1567 0.0000 170.7293 53 V 5.1551 8.7005 117.4713 61.4818 35.1151 172.1831 54 Y 5.3185 8.3294 117.7732 56.2287 41.1273 173.2762 55 V 4.9055 9.0981 122.0501 61.2491 34.7901 174.1956 56 L 4.9938 9.5387 128.0571 53.3050 43.5546 175.0095 57 L 4.9554 8.7918 126.8835 53.1865 44.7798 175.1458 58 K 4.7257 8.6308 124.7665 56.4473 33.2261 174.6964 59 T 4.1696 8.6472 115.0105 61.8512 67.6391 178.0448 60 R 4.1775 8.9520 118.2209 54.6135 31.3549 173.8413 61 P 4.3478 0.0000 0.0000 64.5656 31.7334 176.6454 62 Q 3.5197 8.9007 118.2930 56.7450 27.0538 172.6134 63 T 5.2340 8.0849 115.7187 61.5868 71.5189 173.5400 64 V 4.9019 8.6612 125.0537 59.8362 34.8781 174.1511 65 E 5.0460 9.3549 123.3913 54.6927 33.6129 175.0066 66 I 4.7106 8.2229 126.7046 59.4006 35.9099 176.7504 67 V 3.6599 8.0326 118.4034 62.9841 32.1700 175.4327 68 N 4.5894 7.8024 115.5833 52.8409 42.9406 173.0786 69 I 5.1951 8.4752 124.5902 60.1289 41.2669 173.2067 70 A 4.8407 9.2383 129.5228 51.0830 23.1707 175.0385 71 V 4.7027 8.1649 118.2156 60.5625 35.0525 174.9772 72 K 3.7814 9.0257 128.6530 57.3680 32.5080 176.7802 73 E 4.1235 9.4200 127.2925 59.9441 29.5025 179.0643 74 S 4.5639 8.0541 108.3765 59.2214 62.9045 174.1632 75 L 4.8902 8.5033 118.9232 54.2190 43.7920 176.5785 76 Q 4.3372 7.6607 117.2485 56.6453 29.4647 176.2725 77 K 3.9969 8.7302 115.5118 56.8112 29.1138 177.1734 78 K 4.1101 7.7583 116.3077 55.9198 32.5915 176.9683 79 G 3.9403 7.8768 107.7908 45.1949 0.0000 175.6050 80 F 4.6470 7.6099 119.1669 60.0641 38.9261 177.4119 81 G 3.7083 8.2091 105.3526 47.8381 0.0000 175.1446 82 K 3.8911 8.1159 122.2479 59.2142 32.1439 178.4921 83 Q 4.0361 7.9038 117.8510 59.0412 28.6396 179.0690 84 L 3.9734 8.0747 119.8669 57.6667 41.6864 179.5878 85 V 3.4110 7.6543 118.0229 66.1966 31.7105 178.1608 86 L 4.0182 8.1829 118.6462 57.5393 41.3501 179.1144 87 D 4.3489 7.9324 118.0945 57.0761 41.2456 178.1431 88 A 3.6973 8.1067 121.4569 54.9358 18.2601 179.6942 89 I 3.6627 7.6457 118.6223 64.3598 37.1065 178.4584 90 E 3.9783 7.6304 118.5594 59.2174 29.1222 179.3969 91 K 3.9762 7.9227 117.4522 59.3255 32.1930 178.9964 92 A 4.1412 8.0063 121.1860 54.7117 18.2378 179.9510 93 K 3.9384 7.8262 116.9955 59.7041 32.0718 179.7369 94 K 4.2921 7.7514 116.5752 58.4663 31.8189 178.0737 95 L 4.3491 7.6325 120.0989 54.6057 41.9047 177.5914 96 G 4.0288 8.4232 105.4849 46.4118 0.0000 174.0875 97 A 4.2646 7.2647 121.8995 52.3398 19.1316 177.6672 98 D 4.7244 9.3864 120.6805 56.1505 42.8496 177.1081 99 T 5.1006 7.7400 113.4305 61.6350 73.1859 172.8682 100 I 5.1102 8.7780 125.5527 59.3828 41.1183 174.1038 101 E 5.5014 8.9522 127.4889 54.3818 34.0160 174.4343 102 I 4.0963 7.7291 118.0674 60.8486 41.8890 172.8332 103 G 4.7546 8.4543 114.8502 44.9998 0.0000 171.2769 104 T 4.8831 8.2372 111.2428 59.4573 72.6744 173.3240 105 G 3.5438 8.5310 108.2340 45.7597 0.0000 174.7600 106 N 4.3234 8.6442 120.9241 55.3986 37.3014 176.6905 107 S 4.1740 7.6798 112.5177 60.9092 64.1285 176.0042 108 S 4.4644 7.8913 119.2114 57.8734 57.9613 174.4644 109 I 3.6405 7.5465 125.0594 64.5371 37.4777 177.3421 110 H 4.1210 8.1667 118.3392 59.5757 29.6491 177.0320 111 Q 3.2643 7.7964 118.9775 58.7582 28.2464 178.4577 112 L 3.9019 7.7695 119.8655 57.8250 41.4671 179.7650 113 S 3.9140 7.4495 112.4311 61.1302 62.2857 175.3312 114 L 3.7744 7.2184 121.4110 58.7631 41.9239 178.1212 115 Y 4.6076 7.4881 116.0254 61.5697 37.8099 179.0703 116 Q 4.9305 7.6656 119.8829 58.5346 28.5994 178.9339 117 K 4.0666 8.2029 118.5481 58.6292 32.0024 178.0166 118 C 4.6478 7.9204 115.8528 59.5241 28.4961 174.3479 119 G 3.9196 8.2399 111.3944 45.3386 0.0000 175.0197 120 F 4.2616 8.1067 118.3238 57.6654 39.7346 174.0421 121 R 5.0012 8.4598 122.3014 54.1772 33.8427 175.0058 122 I 3.9756 8.4814 123.6162 61.9216 37.2532 174.9042 123 Q 4.3768 9.8811 130.5842 57.1911 28.9549 176.2183 124 A 4.7654 7.4706 117.4433 50.9233 23.7088 173.4709 125 I 4.5650 8.1800 118.0314 59.8927 40.4521 176.3324 126 D 4.7381 8.5413 126.5768 52.6147 40.7163 174.8149 127 H 4.5614 8.5515 120.5600 56.9219 29.5765 175.3036 128 D 4.4549 9.3672 120.4489 54.9431 39.1135 175.3056 129 F 3.7188 7.6177 119.9410 62.4812 39.3338 177.0463 130 F 4.3393 9.0784 117.0517 60.0257 38.6775 177.7609 131 L 4.2462 8.1363 119.1126 57.0362 41.5912 178.5368 132 R 4.3417 7.8433 113.5910 57.0663 30.2883 176.5410 133 H 4.6988 7.7563 114.9330 55.6666 29.2559 174.0713 134 Y 4.6125 7.4199 115.3193 56.2636 41.9570 174.9281 135 D 4.4397 8.9429 122.0418 56.9039 41.6770 176.6654 136 E 4.4870 7.9935 116.3775 55.2742 31.1053 174.7376 137 D 4.8053 8.4687 119.8195 53.5008 41.6920 176.8366 138 I 4.2727 8.1878 124.9558 60.9125 38.6594 175.0985 139 F 5.0478 8.4185 123.3949 56.0851 43.3438 173.9649 140 E 4.5534 9.4754 118.5713 56.8127 33.0126 175.4527 141 N 3.9339 9.7678 123.2557 54.5243 36.1033 174.5251 142 G 4.0268 8.5472 101.9185 46.4335 0.0000 174.1150 143 I 4.5069 7.5704 119.2678 58.9797 40.3485 175.1786 144 Q 3.6431 8.3966 125.4022 54.5306 27.7809 174.8252 145 C 4.1323 7.7341 126.4322 59.3777 30.5365 173.4694 146 R 4.8163 8.3331 120.5981 55.9240 31.9618 173.5600 147 D 5.0869 8.2224 120.8547 53.9235 45.2378 175.5420 *149 V 3.9758 8.3162 123.4116 63.8628 33.1721 174.7178 150 R 4.6162 8.8387 129.1912 55.1079 31.6544 175.0827 151 L 5.5735 8.6822 125.7047 53.4231 46.0907 174.6839 152 Y 5.5984 8.9308 118.1105 56.4756 42.4909 173.5429 153 L 3.8208 8.2924 116.7712 54.2267 45.4665 173.4691 154 D 4.8201 8.6655 127.0932 54.2463 41.7151 177.1317 155 L 4.5476 8.5320 123.6659 51.5112 40.5233 176.5563 156 L 3.9952 7.5569 123.3056 55.5616 41.9518 174.0058 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 5 K 8.31 4.27 0.00 1.85 1.95 0.00 2.08 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.52 7.81 6 L 7.95 3.65 0.00 1.86 1.65 0.15 0.53 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 7 R 9.97 4.45 0.00 1.92 1.90 0.00 3.09 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 8 I 8.25 4.98 1.94 0.00 0.00 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 1.48 0.79 1.11 0.00 0.00 9 E 8.96 4.66 0.00 1.70 1.74 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 1.48 1.62 0.00 10 L 8.37 3.58 0.00 1.29 1.37 0.27 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.05 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 0.00 0.00 0.00 0.00 12 E 8.83 4.67 0.00 1.97 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 2.12 2.30 0.00 13 E 8.21 4.56 0.00 1.98 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 2.22 2.22 0.00 14 T 8.43 4.43 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 1.09 0.00 0.00 15 N 8.30 5.24 0.00 2.94 2.95 0.00 0.00 6.24 8.07 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 16 D 8.96 4.47 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.10 3.97 0.00 1.97 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 2.29 2.29 0.00 18 L 8.31 4.15 0.00 1.76 1.55 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.12 4.02 0.00 3.13 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 20 D 7.94 4.44 0.00 2.95 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 21 L 7.98 4.20 0.00 1.98 1.77 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.01 4.18 0.00 1.69 1.77 0.63 0.69 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 23 L 8.07 4.86 0.00 1.88 1.81 1.21 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.17 4.19 0.00 1.82 1.79 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.97 4.51 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.98 4.86 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.19 0.00 2.25 2.22 0.00 3.96 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 28 S 8.25 4.16 0.00 3.91 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 29 K 8.64 4.07 0.00 1.89 1.79 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.71 1.66 7.81 30 D 8.11 4.34 0.00 2.72 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 31 I 7.70 3.73 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 1.14 0.00 0.00 32 V 7.64 2.58 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.03 0.00 0.00 33 D 8.01 4.25 0.00 2.88 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 34 E 7.91 3.90 0.00 2.01 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 2.33 2.50 0.00 35 Y 7.91 4.36 0.00 3.19 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 36 L 7.49 3.98 0.00 1.54 1.74 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.73 4.15 0.00 1.99 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 2.29 2.45 0.00 38 R 8.08 4.17 0.00 1.91 2.02 0.00 3.32 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 39 G 7.71 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 0.00 0.00 0.00 0.00 40 E 9.08 4.61 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.19 0.00 41 C 8.58 5.02 0.00 3.03 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 42 Y 8.67 4.76 0.00 1.56 2.43 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 43 T 8.76 4.95 4.54 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 1.29 0.00 0.00 44 A 9.04 5.13 1.31 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 0.00 0.00 45 W 9.47 5.24 0.00 3.14 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 46 A 8.76 4.30 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 47 G 9.32 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 48 D 9.02 4.76 0.00 2.57 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 49 E 7.77 4.08 0.00 1.94 1.74 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 2.28 2.23 0.00 50 L 8.07 4.02 0.00 1.37 1.60 1.14 1.08 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 51 A 8.25 4.01 1.03 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 0.00 0.00 52 G 8.49 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.70 5.16 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 0.75 0.00 0.00 0.99 0.00 0.00 54 Y 8.33 5.32 0.00 3.19 3.10 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 0.00 0.00 0.00 55 V 9.10 4.91 2.23 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 1.20 0.00 0.00 1.13 0.00 0.00 56 L 9.54 4.99 0.00 1.75 1.68 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.79 4.96 0.00 1.75 1.46 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.63 4.73 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 T 8.65 4.17 4.25 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 1.26 0.00 0.00 60 R 8.95 4.18 0.00 1.90 1.90 0.00 3.14 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 61 P 0.00 4.35 0.00 2.04 2.01 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 62 Q 8.90 3.52 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 63 T 8.08 5.23 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 1.28 0.00 0.00 64 V 8.66 4.90 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 0.91 0.00 0.00 1.00 0.00 0.00 65 E 9.35 5.05 0.00 1.96 1.75 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 2.17 2.34 0.00 66 I 8.22 4.71 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.21 0.86 0.00 0.00 67 V 8.03 3.66 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 0.43 0.00 0.00 0.58 0.00 0.00 68 N 7.80 4.59 0.00 2.94 2.74 0.00 0.00 6.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.48 5.20 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.97 0.00 0.00 70 A 9.24 4.84 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 71 V 8.16 4.70 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 1.09 0.00 0.00 1.08 0.00 0.00 72 K 9.03 3.78 0.00 2.09 1.76 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 73 E 9.42 4.12 0.00 2.10 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 0.00 2.45 2.37 0.00 74 S 8.05 4.56 0.00 4.01 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 75 L 8.50 4.89 0.00 1.83 2.00 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.66 4.34 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 5.94 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00 77 K 8.73 4.00 0.00 1.94 2.01 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 78 K 7.76 4.11 0.00 1.27 1.11 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.23 1.33 7.81 79 G 7.88 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 80 F 7.61 4.65 0.00 3.16 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 81 G 8.21 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 0.00 0.00 0.00 82 K 8.12 3.89 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.57 7.81 83 Q 7.90 4.04 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.75 0.00 84 L 8.07 3.97 0.00 1.89 1.72 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.65 3.41 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 1.22 0.00 0.00 1.02 0.00 0.00 86 L 8.18 4.02 0.00 1.71 1.69 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.93 4.35 0.00 2.96 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 88 A 8.11 3.70 0.75 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 0.00 0.00 89 I 7.65 3.66 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.78 0.00 0.00 90 E 7.63 3.98 0.00 2.17 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 2.53 2.47 0.00 91 K 7.92 3.98 0.00 1.58 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.02 7.81 92 A 8.01 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.83 3.94 0.00 2.00 1.84 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.68 7.81 94 K 7.75 4.29 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 95 L 7.63 4.35 0.00 2.00 1.72 0.98 1.25 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 96 G 8.42 4.03 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 0.00 0.00 0.00 97 A 7.26 4.26 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 98 D 9.39 4.72 0.00 2.62 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 99 T 7.74 5.10 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 1.45 0.00 0.00 100 I 8.78 5.11 1.85 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 1.40 1.73 0.82 0.00 0.00 101 E 8.95 5.50 0.00 1.92 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 2.34 2.30 0.00 102 I 7.73 4.10 1.33 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 -0.44 0.00 0.00 103 G 8.45 4.75 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 0.00 0.00 0.00 104 T 8.24 4.88 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 105 G 8.53 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 0.00 0.00 0.00 106 N 8.64 4.32 0.00 2.77 2.92 0.00 0.00 6.97 7.43 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 0.00 107 S 7.68 4.17 0.00 4.08 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 0.00 108 S 7.89 4.46 0.00 3.92 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 0.00 109 I 7.55 3.64 1.84 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 1.38 1.08 0.88 0.00 0.00 110 H 8.17 4.12 0.00 3.12 3.23 0.00 5.69 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 0.00 111 Q 7.80 3.26 0.00 1.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 112 L 7.77 3.90 0.00 1.87 1.70 0.93 0.57 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 0.00 113 S 7.45 3.91 0.00 3.83 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 0.00 114 L 7.22 3.77 0.00 1.30 1.26 0.87 0.69 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 0.00 115 Y 7.49 4.61 0.00 2.93 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 0.00 116 Q 7.67 4.93 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 117 K 8.20 4.07 0.00 1.95 1.88 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 118 C 7.92 4.65 0.00 3.33 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 0.00 119 G 8.24 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.11 4.26 0.00 3.26 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 0.00 121 R 8.46 5.00 0.00 1.48 1.78 0.00 2.97 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 122 I 8.48 3.98 1.93 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 1.28 0.53 0.95 0.00 0.00 123 Q 9.88 4.38 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 124 A 7.47 4.77 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 0.00 125 I 8.18 4.57 1.68 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 1.22 0.97 0.76 0.00 0.00 126 D 8.54 4.74 0.00 2.75 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 0.00 127 H 8.55 4.56 0.00 3.20 3.29 0.00 6.10 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.37 4.45 0.00 2.95 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 0.00 129 F 7.62 3.72 0.00 3.30 3.15 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 0.00 130 F 9.08 4.34 0.00 3.05 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 0.00 131 L 8.14 4.25 0.00 1.88 1.76 1.00 1.19 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 0.00 132 R 7.84 4.34 0.00 1.89 1.99 0.00 2.80 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 133 H 7.76 4.70 0.00 2.81 3.06 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.42 4.61 0.00 3.28 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 0.00 135 D 8.94 4.44 0.00 2.63 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 0.00 136 E 7.99 4.49 0.00 2.12 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 2.35 2.34 0.00 137 D 8.47 4.81 0.00 2.78 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 0.00 138 I 8.19 4.27 1.83 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 1.22 1.29 0.78 0.00 0.00 139 F 8.42 5.05 0.00 2.85 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 0.00 140 E 9.48 4.55 0.00 1.94 1.68 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 2.13 2.21 0.00 141 N 9.77 3.93 0.00 2.89 2.87 0.00 0.00 7.06 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 0.00 142 G 8.55 4.03 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 0.00 0.00 0.00 143 I 7.57 4.51 1.97 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 1.18 1.24 0.85 0.00 0.00 144 Q 8.40 3.64 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.11 0.00 0.00 0.00 0.00 0.00 1.16 2.19 0.00 145 C 7.73 4.13 0.00 2.61 2.61 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 0.00 146 R 8.33 4.82 0.00 2.00 1.98 0.00 2.94 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 147 D 8.22 5.09 0.00 2.71 2.42 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 *149 V 8.32 3.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 150 R 8.84 4.62 0.00 2.08 1.78 0.00 3.04 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 151 L 8.68 5.57 0.00 1.73 1.75 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 152 Y 8.93 5.60 0.00 3.09 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 0.00 153 L 8.29 3.82 0.00 0.88 0.71 0.65 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.67 4.82 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.53 4.55 0.00 1.43 1.55 0.93 0.71 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 0.00 156 L 7.56 4.00 0.00 1.50 1.44 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.