NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4725 8.0427 122.7268 54.8450 44.1437 174.8497 3 L 4.9964 9.1268 128.2433 53.0191 45.1564 173.7119 4 T 4.8994 8.6057 119.6406 61.3558 71.7146 170.8280 5 T 5.3740 8.2621 111.0228 59.5307 72.1759 173.2487 6 S 4.4853 8.7051 116.6907 57.9804 64.4971 174.0667 7 R 4.0801 8.4512 118.9278 56.9490 30.9662 176.8364 8 K 3.8214 8.5331 118.5073 57.0455 29.2925 173.4746 9 P 4.8148 0.0000 0.0000 61.4495 32.9894 177.3246 10 S 4.4531 9.0141 115.5862 58.1006 65.1182 175.1933 11 Q 4.0383 8.5369 122.0537 59.1533 28.7066 177.8495 12 R 4.0753 8.0322 119.4874 59.6863 30.2135 178.5233 13 T 4.0336 7.9238 115.0214 66.7898 68.4999 176.7836 14 R 4.0301 8.1227 119.9693 59.4751 30.1071 179.1602 15 S 4.0098 8.2761 112.7613 61.1385 62.4032 175.7136 16 F 3.7012 8.4167 123.5021 61.4721 39.0905 177.3902 17 S 3.9932 8.2849 114.5704 61.5386 62.6717 176.5697 18 Q 3.4114 7.4897 120.7265 58.7104 28.3035 179.0799 19 R 3.5660 7.5739 119.5342 59.1272 29.9047 177.9850 20 L 3.4621 7.3468 119.1985 58.3169 42.1627 178.9483 21 S 4.3302 7.9441 114.6832 61.5848 62.5719 176.5640 22 R 3.8703 7.4884 119.4222 59.4592 30.0307 179.6401 23 I 3.4941 7.3478 116.2044 62.3241 37.0118 176.8995 *25 G 4.0485 7.8425 105.1163 45.8851 0.0000 173.6452 26 W 5.1084 8.2115 120.0264 55.6198 31.2129 175.9371 27 R 4.5762 8.5499 121.5846 55.0963 31.1575 174.1253 28 Y 5.1354 8.7435 128.5745 56.8423 39.8495 174.4096 29 I 4.4226 7.3682 119.1394 58.3756 40.6182 174.9413 30 N 4.1840 8.5501 123.2359 53.7611 39.4446 174.6624 31 R 3.9385 8.8358 126.2434 58.6304 31.4826 177.9716 32 G 3.6664 7.5365 104.7363 46.9533 0.0000 176.7600 33 K 4.1954 8.5273 124.5012 54.3471 31.3702 175.7887 *35 S 4.2530 7.9119 118.4701 57.5630 65.6426 174.1807 36 L 3.9464 8.2350 123.0635 58.4526 41.4979 179.3309 37 R 3.9565 7.8980 117.6309 59.2355 30.1616 178.5311 38 D 4.3420 8.0705 118.8667 57.1029 40.7515 179.0564 39 V 3.5118 7.7197 118.7629 66.0830 31.3467 178.0320 40 L 4.1446 7.7812 118.4103 57.8340 41.1182 179.8524 41 I 3.7559 7.2340 118.9554 64.2731 37.2271 177.5981 42 E 4.0189 7.8659 118.4620 59.1669 29.5060 178.1688 43 A 4.0435 8.2611 120.2672 53.7435 18.4242 178.1213 44 R 3.7965 7.5088 112.8102 55.7293 28.4177 176.9278 45 G 3.9126 7.2551 104.5933 45.3491 0.0000 170.5924 46 P 4.5642 0.0000 0.0000 63.1452 32.1264 176.3333 47 V 4.7147 8.7275 114.0298 59.5321 36.1251 174.2051 48 A 4.8085 8.6953 124.9611 49.9618 21.8965 175.4003 49 V 4.6243 8.5156 122.1971 61.0125 34.5357 174.4510 50 V 4.7957 8.9513 129.4263 61.9889 32.6977 175.0532 51 S 5.3644 9.1736 122.7849 55.9802 66.0340 172.6365 52 E 5.2386 8.5583 118.4276 54.6182 33.3716 175.4789 53 R 4.6560 8.3928 119.9471 55.9272 32.8795 175.9446 54 H 4.0867 9.8549 120.1357 56.8505 26.3412 175.9106 55 G 3.9876 8.5533 106.1544 45.3423 0.0000 173.6120 56 N 4.9395 7.8249 117.6009 50.4434 40.5917 172.7173 57 P 4.6513 0.0000 0.0000 62.8332 32.1114 176.1380 58 A 4.3977 8.8313 121.4867 50.2303 21.9997 175.6001 59 R 5.3503 7.8634 114.8529 54.9370 34.2013 173.4466 60 I 5.0332 9.4430 126.1477 59.6124 40.8809 173.8769 61 T 4.9357 8.8179 126.5370 61.8789 71.1039 173.3170 62 F 5.1337 9.2519 125.2961 55.9515 41.0711 174.8239 63 L 5.3791 9.1960 124.4798 52.9038 44.8712 176.4033 64 D 4.9824 8.9096 122.2405 51.8300 40.9830 177.1303 65 E 4.1317 8.4533 118.9021 58.4688 29.5737 177.7893 66 R 4.0472 7.9008 116.4282 57.1372 30.3363 177.4017 67 G 4.0195 8.4446 106.5364 44.8285 0.0000 174.4848 68 G 3.6160 8.1234 109.3456 45.6320 0.0000 172.2582 69 E 4.6990 8.6357 124.8167 55.3750 30.0404 176.5512 70 R 4.1080 9.6686 127.4921 56.8156 30.8078 177.3607 71 G 4.0807 7.3093 103.8127 46.2855 0.0000 169.7679 72 Y 5.6737 7.9093 116.8576 56.4153 42.0664 173.7005 73 I 5.2142 9.2570 120.1049 59.7272 41.2983 174.5674 74 L 5.3958 9.2672 127.8153 53.5892 43.2971 175.7879 75 F 5.4583 9.0251 117.6961 55.9724 42.0670 172.5583 76 N 4.9055 9.0055 117.3090 50.6214 41.1200 172.8983 77 P 4.8485 0.0000 0.0000 62.8878 33.0175 175.9449 78 S 4.5070 8.9911 115.8636 56.8476 65.2631 172.6070 79 F 5.5705 7.8918 121.3764 54.2691 40.9191 173.6100 80 E 4.7794 9.0695 127.3053 56.0582 29.9989 179.7308 *82 K 4.1185 8.7518 127.0743 56.5571 32.9949 175.4460 83 K 4.1601 8.3972 121.6053 56.2615 33.2614 175.0100 84 P 4.3441 0.0000 0.0000 62.5970 32.4457 176.3935 85 E 4.2026 8.5987 124.6362 54.8326 29.5732 173.9678 *89 K 4.2427 8.2615 123.4842 56.4324 33.9573 176.2117 90 A 4.4528 8.6168 128.3416 50.5614 17.4329 176.4702 91 V 4.6182 8.1244 112.1038 61.2918 33.7074 175.0505 92 R 5.3769 8.0131 117.7361 54.3303 32.6120 174.9807 93 V 4.9914 8.3707 119.5620 59.9441 34.2959 176.4352 94 S 4.1681 8.9892 118.3257 61.5076 62.8576 174.5677 95 S 4.4598 7.4805 108.8164 57.8678 64.5842 176.2805 96 C 4.6079 8.5249 125.1994 54.1792 40.5625 171.9604 97 P 4.5314 0.0000 0.0000 61.1822 31.8324 174.5140 98 P 4.8463 0.0000 0.0000 64.0245 31.4790 177.1009 99 G 4.2765 9.5096 112.0783 45.5223 0.0000 174.3463 100 S 4.1583 7.9292 113.6528 57.7080 63.4203 175.5087 101 E 3.8640 8.1159 123.2621 59.3903 29.0316 178.8725 102 G 3.5880 8.0611 105.4150 47.8481 0.0000 175.0760 103 L 3.3894 5.7523 119.8364 57.6227 41.8209 178.9181 104 C 4.2185 7.6275 115.4748 59.6966 39.9081 175.5205 105 N 4.1632 7.6182 117.6636 56.6096 38.6663 177.1182 106 L 3.4937 7.2682 115.6574 55.6201 41.8158 177.8291 *108 G 3.8351 7.8778 106.4685 45.2531 0.0000 173.0577 109 L 4.7925 7.9574 119.8461 53.3540 43.1500 176.4276 110 E 4.7174 8.8281 121.0000 54.5717 32.0303 176.1712 111 V 4.2858 8.3725 116.2266 61.0088 33.4992 175.5608 112 D 4.9858 7.9398 123.2029 53.8048 45.2599 176.2128 113 E 4.9005 8.5645 127.9626 56.0389 30.5066 178.5858 114 S 4.5345 7.6795 113.5564 58.7631 65.5625 173.0489 *117 R 4.1149 7.8173 119.6410 56.9680 30.9075 175.3486 118 D 4.2883 8.6387 121.4123 54.9892 38.2763 172.8103 119 A 4.6777 7.4659 117.6097 50.1123 22.7990 176.7568 120 W 4.6356 9.4843 119.4275 56.3897 30.9236 175.5941 121 S 5.1092 9.3817 117.4899 56.6754 64.2726 173.0795 122 I 4.9485 8.5515 127.8422 59.7692 38.7456 175.0603 123 R 5.0965 8.9156 122.3457 54.6021 33.4045 174.9004 124 T 4.3221 8.6156 110.1031 61.5508 69.8059 173.1578 125 D 4.8191 7.8369 120.1641 52.4349 44.3040 175.1508 126 E 4.0584 8.8403 122.2087 58.3659 30.1982 176.8719 127 E 4.2052 8.3632 117.6419 57.7206 31.0985 175.6294 128 Y 4.3830 8.1039 114.4293 56.9097 39.1172 175.7596 129 A 4.0171 8.9345 123.7934 54.7722 18.9369 178.2478 130 W 5.3273 8.1130 112.8862 55.7858 34.3549 174.6623 131 V 4.5564 8.7321 122.8489 61.0916 34.8965 173.2361 *133 E 4.6611 8.4931 119.4009 56.5020 31.0549 176.5057 134 L 3.7135 8.4242 128.8062 54.1045 44.9817 174.4911 *136 D 4.5113 8.4471 117.4366 52.8229 40.8440 176.2281 137 A 4.1012 7.6852 117.9241 53.3690 18.3625 178.0568 138 R 4.3538 8.6877 114.2149 55.3240 31.2699 176.4716 139 G 3.9289 9.0875 106.3431 46.1053 0.0000 173.6444 140 T 4.4263 7.4235 108.8726 59.1615 70.5237 172.8847 141 P 4.3299 0.0000 0.0000 63.2805 31.5869 176.5102 142 A 4.2222 9.2858 125.9919 52.1682 19.2194 177.1191 143 G 3.8301 8.5821 103.9246 46.0199 0.0000 173.1760 144 F 5.2928 8.0956 121.0347 56.3309 42.8708 173.1526 145 K 5.1293 9.4610 125.5720 54.6678 36.5205 175.2542 146 L 4.9037 8.8030 123.3751 53.2912 43.3507 176.1867 147 L 4.1748 8.7446 125.7068 53.3304 42.6093 175.8909 148 I 4.6326 8.8784 127.0193 60.9211 37.7567 177.3468 149 R 4.3352 9.3249 127.4132 58.7272 31.0982 175.9381 150 D 4.6637 8.1186 116.0031 54.1415 44.6011 174.3198 151 F 5.2101 8.0165 114.7863 55.8777 40.7176 173.6563 152 R 4.5794 8.3710 118.4360 54.4580 34.2544 174.1977 153 V 4.5269 8.7199 123.0165 61.2365 33.4057 175.7377 154 G 3.9021 8.8542 116.4528 45.7739 0.0000 173.4427 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 L 8.04 4.47 0.00 1.69 1.52 0.89 0.04 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 3 L 9.13 5.00 0.00 1.86 1.70 1.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.61 4.90 4.09 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 1.14 0.00 0.00 5 T 8.26 5.37 4.42 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 1.45 0.00 0.00 6 S 8.71 4.49 0.00 3.93 4.07 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 7 R 8.45 4.08 0.00 1.83 1.90 0.00 3.36 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 8 K 8.53 3.82 0.00 1.88 1.85 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 9 P 0.00 4.81 0.00 2.27 2.13 0.00 3.42 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 10 S 9.01 4.45 0.00 4.11 4.09 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 11 Q 8.54 4.04 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 12 R 8.03 4.08 0.00 2.01 1.99 0.00 3.28 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 13 T 7.92 4.03 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 1.36 0.00 0.00 14 R 8.12 4.03 0.00 2.11 2.03 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 15 S 8.28 4.01 0.00 3.93 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 16 F 8.42 3.70 0.00 3.20 3.37 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 17 S 8.28 3.99 0.00 4.07 4.09 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 18 Q 7.49 3.41 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 19 R 7.57 3.57 0.00 1.73 1.74 0.00 3.14 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.34 0.00 20 L 7.35 3.46 0.00 1.01 1.50 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.94 4.33 0.00 4.12 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 22 R 7.49 3.87 0.00 1.78 1.84 0.00 3.07 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 23 I 7.35 3.49 1.55 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.28 0.56 0.00 0.00 *25 G 7.84 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 0.00 0.00 0.00 26 W 8.21 5.11 0.00 3.32 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 27 R 8.55 4.58 0.00 1.94 1.84 0.00 3.18 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 28 Y 8.74 5.14 0.00 3.02 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 29 I 7.37 4.42 1.74 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 0.89 1.00 0.83 0.00 0.00 30 N 8.55 4.18 0.00 2.73 2.76 0.00 0.00 7.00 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 31 R 8.84 3.94 0.00 1.84 1.94 0.00 3.45 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 32 G 7.54 3.67 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 0.00 0.00 0.00 33 K 8.53 4.20 0.00 1.73 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 *35 S 7.91 4.25 0.00 4.06 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 36 L 8.24 3.95 0.00 1.76 1.69 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.90 3.96 0.00 1.88 1.95 0.00 3.17 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 38 D 8.07 4.34 0.00 2.93 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 39 V 7.72 3.51 2.17 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 0.91 0.00 0.00 0.92 0.00 0.00 40 L 7.78 4.14 0.00 1.89 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.23 3.76 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.90 0.00 0.00 42 E 7.87 4.02 0.00 1.94 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 0.00 2.28 2.33 0.00 43 A 8.26 4.04 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 44 R 7.51 3.80 0.00 1.90 1.99 0.00 3.56 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 G 7.26 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 46 P 0.00 4.56 0.00 2.01 2.03 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 47 V 8.73 4.71 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 0.73 0.00 0.00 0.85 0.00 0.00 48 A 8.70 4.81 0.67 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 0.00 0.00 49 V 8.52 4.62 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 1.03 0.00 0.00 0.87 0.00 0.00 50 V 8.95 4.80 2.30 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 1.27 0.00 0.00 1.20 0.00 0.00 51 S 9.17 5.36 0.00 3.88 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 52 E 8.56 5.24 0.00 1.90 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 2.31 2.32 0.00 53 R 8.39 4.66 0.00 1.78 1.79 0.00 3.26 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 54 H 9.85 4.09 0.00 3.26 3.33 0.00 5.72 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 55 G 8.55 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.82 4.94 0.00 2.78 2.61 0.00 0.00 6.93 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 57 P 0.00 4.65 0.00 1.62 2.01 0.00 3.50 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 1.75 2.13 0.00 58 A 8.83 4.40 1.10 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 0.00 0.00 59 R 7.86 5.35 0.00 1.92 1.76 0.00 3.08 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 60 I 9.44 5.03 1.95 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.45 0.98 0.00 0.00 61 T 8.82 4.94 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 1.31 0.00 0.00 62 F 9.25 5.13 0.00 3.01 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 63 L 9.20 5.38 0.00 1.66 1.53 0.94 0.79 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 64 D 8.91 4.98 0.00 2.81 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 65 E 8.45 4.13 0.00 1.85 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 0.00 2.28 2.34 0.00 66 R 7.90 4.05 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 67 G 8.44 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 68 G 8.12 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.64 4.70 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 2.39 2.38 0.00 70 R 9.67 4.11 0.00 2.07 1.96 0.00 3.31 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 71 G 7.31 4.08 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 0.00 0.00 0.00 72 Y 7.91 5.67 0.00 3.32 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 73 I 9.26 5.21 2.15 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 1.30 1.08 1.09 0.00 0.00 74 L 9.27 5.40 0.00 2.01 1.76 1.30 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 75 F 9.03 5.46 0.00 3.26 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 76 N 9.01 4.91 0.00 2.54 2.67 0.00 0.00 7.15 8.72 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 77 P 0.00 4.85 0.00 2.39 1.52 0.00 3.49 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 78 S 8.99 4.51 0.00 3.81 3.67 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 79 F 7.89 5.57 0.00 3.21 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 80 E 9.07 4.78 0.00 1.97 1.21 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 2.36 2.52 0.00 *82 K 8.75 4.12 0.00 1.80 1.80 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.39 7.81 83 K 8.40 4.16 0.00 1.79 1.79 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.40 7.81 84 P 0.00 4.34 0.00 1.78 1.90 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 85 E 8.60 4.20 0.00 1.97 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 2.29 2.21 0.00 *89 K 8.26 4.24 0.00 1.79 1.79 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.42 7.81 90 A 8.62 4.45 0.98 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 0.00 0.00 91 V 8.12 4.62 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 0.79 0.00 0.00 0.94 0.00 0.00 92 R 8.01 5.38 0.00 1.86 2.01 0.00 2.90 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 93 V 8.37 4.99 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 0.81 0.00 0.00 1.08 0.00 0.00 94 S 8.99 4.17 0.00 3.95 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 95 S 7.48 4.46 0.00 3.82 3.67 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 96 C 8.52 4.61 0.00 2.86 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 P 0.00 4.53 0.00 2.40 2.11 0.00 3.31 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 2.28 2.18 0.00 98 P 0.00 4.85 0.00 2.15 2.08 0.00 3.82 0.00 0.00 4.46 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 99 G 9.51 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 0.00 100 S 7.93 4.16 0.00 2.72 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 0.00 101 E 8.12 3.86 0.00 2.03 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 2.35 2.36 0.00 102 G 8.06 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 0.00 0.00 0.00 103 L 5.75 3.39 0.00 1.20 1.32 0.58 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 104 C 7.63 4.22 0.00 2.88 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 0.00 105 N 7.62 4.16 0.00 2.59 2.82 0.00 0.00 7.27 7.93 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 0.00 106 L 7.27 3.49 0.00 0.99 0.13 0.84 0.93 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 *108 G 7.88 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 0.00 109 L 7.96 4.79 0.00 1.42 1.55 0.57 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.83 4.72 0.00 2.00 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 0.00 2.34 2.25 0.00 111 V 8.37 4.29 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 0.61 0.00 0.00 0.91 0.00 0.00 112 D 7.94 4.99 0.00 2.76 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 0.00 113 E 8.56 4.90 0.00 2.12 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 0.00 2.25 2.27 0.00 114 S 7.68 4.53 0.00 3.87 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *117 R 7.82 4.11 0.00 1.79 1.88 0.00 3.32 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 118 D 8.64 4.29 0.00 2.80 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 0.00 119 A 7.47 4.68 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 9.48 4.64 0.00 3.25 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 0.00 121 S 9.38 5.11 0.00 3.84 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 0.00 122 I 8.55 4.95 1.82 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.81 0.00 0.00 123 R 8.92 5.10 0.00 1.98 2.08 0.00 2.84 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 124 T 8.62 4.32 4.07 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 1.15 0.00 0.00 125 D 7.84 4.82 0.00 2.68 2.87 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 0.00 126 E 8.84 4.06 0.00 2.09 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 0.00 2.27 2.26 0.00 127 E 8.36 4.21 0.00 1.81 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 128 Y 8.10 4.38 0.00 3.07 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 0.00 129 A 8.93 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.11 5.33 0.00 3.39 3.12 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 0.00 0.00 0.00 131 V 8.73 4.56 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 1.02 0.00 0.00 1.08 0.00 0.00 *133 E 8.49 4.66 0.00 2.25 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 2.32 2.40 0.00 134 L 8.42 3.71 0.00 0.86 1.40 -0.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 *136 D 8.45 4.51 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 0.00 137 A 7.69 4.10 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 0.00 138 R 8.69 4.35 0.00 1.71 1.90 0.00 3.30 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 139 G 9.09 3.93 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 0.00 0.00 0.00 140 T 7.42 4.43 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 1.20 0.00 0.00 141 P 0.00 4.33 0.00 2.07 2.34 0.00 3.67 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 2.04 2.11 0.00 142 A 9.29 4.22 1.21 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 0.00 0.00 143 G 8.58 3.83 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 0.00 144 F 8.10 5.29 0.00 3.12 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 0.00 145 K 9.46 5.13 0.00 1.67 1.67 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 146 L 8.80 4.90 0.00 1.49 1.58 1.26 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.74 4.17 0.00 0.78 0.13 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.88 4.63 2.32 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 1.32 0.00 0.00 149 R 9.32 4.34 0.00 1.93 2.11 0.00 3.43 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 150 D 8.12 4.66 0.00 2.81 2.55 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 0.00 151 F 8.02 5.21 0.00 3.07 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 0.00 152 R 8.37 4.58 0.00 1.21 1.74 0.00 3.27 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.56 0.00 153 V 8.72 4.53 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 0.78 0.00 0.00 0.93 0.00 0.00 154 G 8.85 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 * Residues marked with a * may have inaccurate shift predictions.