NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.4404 8.4293 118.8136 56.0642 31.7288 175.9220 5 D 4.8398 8.0709 117.6512 51.8376 41.3872 173.5988 6 F 5.5272 8.5185 120.9827 57.2849 43.6531 174.0302 7 Y 4.6101 8.0470 124.9278 55.9504 42.7378 173.3593 8 L 4.9467 7.3484 126.9712 53.4885 46.2192 174.7705 9 R 5.0708 9.2047 125.8997 55.1040 34.0944 172.8668 10 Y 5.1093 8.5530 126.6104 55.9751 42.3237 173.2017 11 Y 5.2614 8.0420 126.6975 55.9232 43.1122 174.3306 12 V 4.5083 7.1249 124.7407 60.4567 35.2779 174.0734 13 G 4.2834 8.0456 111.0575 46.9701 0.0000 170.4161 14 H 5.2774 9.2869 119.7405 54.6852 33.3560 173.0712 15 K 4.9842 8.2630 124.8828 54.9399 34.4505 176.2174 16 G 4.1548 8.7192 109.8297 45.6271 0.0000 173.8051 17 K 3.8399 8.7622 117.8993 59.2596 32.0724 177.7648 18 F 4.6265 7.7724 115.4876 57.4616 39.8023 175.1170 19 G 3.9931 7.9542 106.2898 44.5028 0.0000 174.1330 20 H 5.3339 8.8475 123.9707 54.4593 31.5134 172.4879 21 E 4.8625 9.1591 129.8737 55.0221 31.2184 174.8155 22 F 4.9301 8.0597 120.5313 56.4772 42.0571 172.2477 23 L 4.8824 8.2693 120.1508 53.5121 45.8078 174.6227 24 E 5.8825 9.1645 124.1488 56.1771 33.8598 173.8296 25 F 5.6115 8.1525 120.6963 55.1553 41.9729 173.1243 26 E 5.0423 9.2160 121.0769 54.7081 33.1817 174.0742 27 F 4.8802 9.1164 126.4251 55.7521 40.5205 175.9627 28 R 4.3959 8.7897 123.9074 54.7759 30.8172 176.4403 29 P 4.5972 0.0000 0.0000 65.1697 31.2993 177.3680 30 D 4.6252 8.1650 114.4987 53.6553 39.7827 176.8930 31 G 4.0817 8.5725 109.2405 45.1194 0.0000 172.7455 32 K 4.0380 8.5224 122.4826 55.5593 33.6579 175.1792 33 L 4.6527 9.0858 130.5761 53.4302 44.0738 174.9375 34 R 5.0576 8.7497 125.6115 54.4900 33.0501 174.1174 35 Y 5.1767 9.2047 125.2015 55.7011 41.7129 174.0513 36 A 5.0007 8.7889 127.9336 50.1425 22.9857 174.3739 37 N 4.5798 8.8492 120.4291 52.1630 42.7664 172.7049 38 N 4.8687 8.4521 127.2417 52.4332 40.5543 175.5317 39 S 4.6926 7.9410 125.6739 57.9158 65.1533 169.9253 40 N 4.4084 8.5804 109.8265 55.9514 36.9742 175.8806 *45 T 4.1651 7.7780 112.9036 63.6242 70.4623 173.8416 46 M 5.0698 8.4214 125.1056 54.4621 35.5658 173.5569 47 I 4.6256 8.8575 126.8611 59.5502 40.7976 174.7913 48 R 4.9861 8.4975 124.4918 54.5546 33.4103 174.7274 49 K 4.5063 9.2199 122.8192 54.6581 36.7049 175.3721 50 E 5.3003 8.3548 121.2711 54.9750 33.4782 174.6563 51 A 4.5374 8.2644 121.1298 51.5552 23.4665 175.0072 52 F 5.0625 9.0094 118.3278 56.0888 40.6579 176.0477 53 V 4.4748 8.5819 117.1374 59.7054 33.7769 175.7103 54 H 4.3746 8.7007 122.2852 55.8191 30.6542 175.9253 55 Q 4.0332 8.3260 124.4814 59.5045 28.6239 179.1707 56 S 4.1316 8.2582 114.7252 61.0479 63.0961 176.6270 57 V 3.5494 7.8504 122.0532 66.1127 31.3534 177.6832 58 M 4.0680 8.1248 117.9378 58.8044 31.8986 178.5894 59 E 3.8739 8.4221 118.5218 59.1338 29.4224 179.4141 60 E 3.8765 8.0770 118.8495 59.2528 29.5157 179.1486 61 L 3.8095 7.7824 119.0062 57.6717 41.6250 179.4316 62 K 3.1814 7.4360 119.3354 59.2272 31.9347 178.7592 63 R 3.7632 7.6974 118.7650 59.4533 30.0268 178.4628 64 I 3.6677 7.8626 119.8428 64.3917 37.1705 178.5013 65 I 3.6976 7.8358 120.4850 64.5316 36.7850 178.4458 66 I 3.7221 7.5974 119.1975 64.7368 37.0346 178.0837 67 D 4.5128 8.3787 118.9681 57.0029 40.6670 178.5903 68 S 4.2870 7.9106 114.2522 59.0686 63.4851 174.5829 69 E 3.8843 8.1429 120.2123 57.1624 27.4910 176.2374 70 I 4.0610 7.6613 121.8895 64.2025 38.1960 177.9836 71 M 4.2079 8.1967 119.0530 57.6715 31.8533 176.8033 72 Q 4.3502 7.9333 114.6580 56.4403 29.5738 175.6470 73 E 4.5003 8.2429 119.7534 56.0073 31.1873 174.4295 74 D 4.3723 7.5769 117.1389 53.2755 44.1058 174.4995 75 D 3.3700 7.0837 122.1392 52.2391 40.2033 178.1235 76 L 3.7955 7.5555 120.8153 57.6904 41.6084 176.9274 77 P 4.3722 0.0000 0.0000 64.1383 31.6045 176.6138 78 W 4.7242 7.3540 118.1687 55.3323 30.0709 174.6555 79 P 4.4644 0.0000 0.0000 62.6410 31.7962 174.6631 80 P 4.8001 0.0000 0.0000 61.3684 32.8043 174.1526 81 P 4.5590 0.0000 0.0000 62.6726 32.1226 176.2904 82 D 5.0845 8.1191 120.1246 53.6603 43.6514 176.7665 83 R 4.5235 8.6779 123.2875 57.1334 30.2926 176.9947 84 V 3.9936 7.5903 119.4524 64.2935 32.6982 175.2844 85 G 4.1865 7.5747 104.6291 46.4599 0.0000 171.9902 86 R 5.2935 8.0702 117.6059 55.3863 34.2024 173.5427 87 Q 5.2704 9.3871 122.6923 54.7408 32.6388 173.6575 88 E 5.2652 9.4333 120.4992 54.5880 33.7711 174.2272 89 L 5.1579 9.2248 126.3422 53.3416 44.8889 174.4662 90 E 5.2077 9.5469 128.1460 54.5514 32.3492 174.6460 91 I 5.2489 9.0246 127.0238 59.6342 42.2153 174.4844 92 V 4.8118 8.9265 124.6648 61.3763 34.9942 174.3949 93 I 4.5197 8.6719 128.2681 59.7339 40.6635 177.2717 94 G 3.9335 8.7892 120.7408 46.9298 0.0000 175.0247 95 D 4.5032 9.1759 124.9526 55.2540 41.8668 175.2222 96 E 4.5538 7.9570 118.8730 55.4611 30.7982 174.4564 97 H 5.5213 8.5896 121.6585 54.6050 32.7537 172.2466 98 I 4.4741 9.0187 119.1957 59.2407 40.7588 174.6816 99 S 4.7711 8.2713 117.7365 56.8867 62.2689 172.9109 100 F 5.2199 9.3579 123.2338 57.4648 40.5952 174.5361 101 T 5.2616 8.7860 117.1800 62.9507 72.8444 173.1281 102 T 4.7563 8.6159 117.8253 62.7578 71.8769 171.7353 103 S 4.7949 8.4927 117.5680 57.0819 65.4209 173.7204 104 K 4.1625 8.6968 119.0787 58.4426 32.4184 178.3659 105 T 3.1245 8.6113 118.9285 64.5234 67.7798 170.9344 *108 L 3.8785 7.8479 121.1148 54.6845 43.0556 177.9720 109 V 3.3622 8.1114 123.7462 64.8237 31.5199 178.1369 110 D 4.4019 8.1634 120.1562 57.4214 41.2146 178.7511 111 V 3.5501 7.1950 112.0281 64.5422 31.7917 178.3465 112 N 4.2372 7.6187 114.9291 56.0952 38.3860 175.7542 113 R 4.3415 7.5727 115.0009 55.9608 30.0274 175.8069 114 S 4.6652 7.4488 111.8558 56.5592 65.1504 173.3735 115 K 4.0745 8.3861 119.6665 57.3076 33.2155 176.7427 116 D 4.4397 8.8016 121.2205 55.1212 39.2537 172.6514 117 P 4.3695 0.0000 0.0000 65.6395 31.9023 178.1528 118 E 4.0876 8.3062 117.9114 59.3118 29.6367 179.0588 119 G 4.4338 8.1649 107.0967 47.0845 0.0000 175.5104 120 L 3.1090 7.9686 122.5849 56.9435 41.8539 179.0458 121 R 3.8679 8.1233 119.2630 59.3634 30.0944 177.8522 122 C 4.2840 8.2624 118.6035 62.4779 31.6102 175.3080 123 F 4.2563 8.3878 122.2242 61.4640 38.9533 176.3022 124 Y 3.9421 8.1744 119.0945 61.1376 38.4878 177.9228 125 Y 4.0658 8.2466 117.7170 60.7439 37.8565 178.0058 126 L 3.9131 8.0869 121.5255 58.0586 42.1585 179.2071 127 V 3.2740 7.5285 118.2404 65.8583 31.3722 178.1173 128 Q 3.7430 7.4839 117.4387 58.8654 28.3815 178.3436 129 D 4.2887 8.1949 120.1392 57.2469 40.8542 178.9200 130 L 3.8333 8.0499 119.7262 57.6664 41.6794 179.5424 131 K 3.2146 7.7681 118.4487 59.3648 32.0107 178.7917 132 C 4.0042 7.7284 118.7191 62.2935 31.3421 175.4957 133 L 3.8484 7.4575 121.6599 58.0236 41.6422 179.0594 134 V 3.4387 7.3443 118.0716 66.1053 31.3223 177.9074 135 F 4.4540 8.1936 117.8108 60.7900 38.7102 177.9861 136 S 4.1255 8.0566 114.3485 61.4501 62.5792 176.5219 137 L 3.9486 8.0559 121.7787 57.9383 41.3428 179.7547 138 I 3.8857 8.0937 119.8861 64.3298 36.9983 178.4203 139 G 4.0734 8.2118 106.8662 47.8720 0.0000 175.6039 140 L 3.9780 7.7101 120.3656 57.5740 41.7717 178.8688 141 H 4.1684 8.3190 117.3285 58.1349 29.8138 175.6966 142 F 4.7609 8.1166 116.6805 55.9363 41.1679 174.4154 143 K 3.9212 8.4638 120.6211 56.4296 28.9950 173.8672 144 I 4.4880 6.5921 121.0062 60.8978 41.5586 173.7738 145 K 4.2729 7.9656 118.7188 56.0785 33.9311 172.9452 146 P 4.4839 0.0000 0.0000 63.1759 31.1663 176.5186 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 4 E 8.43 4.44 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 5 D 8.07 4.84 0.00 2.82 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.52 5.53 0.00 3.07 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 7 Y 8.05 4.61 0.00 2.99 2.54 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 8 L 7.35 4.95 0.00 1.33 1.17 1.05 0.98 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 9 R 9.20 5.07 0.00 1.95 1.82 0.00 3.21 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 10 Y 8.55 5.11 0.00 2.76 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.04 5.26 0.00 3.21 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.12 4.51 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 0.81 0.00 0.00 1.00 0.00 0.00 13 G 8.05 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 14 H 9.29 5.28 0.00 3.26 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.26 4.98 0.00 1.64 1.57 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.41 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.75 1.27 7.81 16 G 8.72 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.76 3.84 0.00 1.39 1.30 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.24 7.81 18 F 7.77 4.63 0.00 3.10 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 19 G 7.95 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 20 H 8.85 5.33 0.00 3.15 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.16 4.86 0.00 2.20 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 2.28 2.34 0.00 22 F 8.06 4.93 0.00 2.88 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 23 L 8.27 4.88 0.00 1.71 1.51 0.99 1.19 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 24 E 9.16 5.88 0.00 2.40 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 2.26 2.29 0.00 25 F 8.15 5.61 0.00 3.10 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.22 5.04 0.00 1.99 1.73 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 2.04 2.06 0.00 27 F 9.12 4.88 0.00 2.80 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 28 R 8.79 4.40 0.00 2.08 1.95 0.00 3.10 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 29 P 0.00 4.60 0.00 2.13 2.23 0.00 3.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 30 D 8.17 4.63 0.00 2.91 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 31 G 8.57 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 32 K 8.52 4.04 0.00 1.27 1.58 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.47 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.13 0.68 7.81 33 L 9.09 4.65 0.00 1.34 1.45 -0.25 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.75 5.06 0.00 1.72 1.79 0.00 3.36 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 35 Y 9.20 5.18 0.00 3.06 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 36 A 8.79 5.00 1.24 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 0.00 0.00 0.00 37 N 8.85 4.58 0.00 2.38 2.49 0.00 0.00 6.83 6.94 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 38 N 8.45 4.87 0.00 2.04 2.77 0.00 0.00 6.69 7.29 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 39 S 7.94 4.69 0.00 3.42 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.58 4.41 0.00 2.74 3.30 0.00 0.00 6.81 7.70 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 *45 T 7.78 4.17 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 1.17 0.00 0.00 46 M 8.42 5.07 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 47 I 8.86 4.63 1.93 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 0.57 0.99 0.00 0.00 48 R 8.50 4.99 0.00 1.59 1.77 0.00 3.33 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 49 K 9.22 4.51 0.00 1.49 0.94 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.57 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.08 0.94 7.81 50 E 8.35 5.30 0.00 1.79 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 51 A 8.26 4.54 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 52 F 9.01 5.06 0.00 2.94 3.04 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 53 V 8.58 4.47 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 0.73 0.00 0.00 1.17 0.00 0.00 54 H 8.70 4.37 0.00 3.18 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.33 4.03 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 56 S 8.26 4.13 0.00 4.11 4.19 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 57 V 7.85 3.55 2.31 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 1.10 0.00 0.00 0.97 0.00 0.00 58 M 8.12 4.07 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.74 0.00 59 E 8.42 3.87 0.00 2.05 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 2.48 2.47 0.00 60 E 8.08 3.88 0.00 2.21 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 2.28 2.44 0.00 61 L 7.78 3.81 0.00 1.73 1.67 -0.35 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.44 3.18 0.00 1.11 1.60 0.00 1.17 0.00 0.00 1.32 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 0.85 7.81 63 R 7.70 3.76 0.00 1.93 2.00 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 64 I 7.86 3.67 1.94 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 1.46 0.58 0.87 0.00 0.00 65 I 7.84 3.70 2.02 0.00 0.00 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 1.61 1.24 1.00 0.00 0.00 66 I 7.60 3.72 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.90 0.00 0.00 67 D 8.38 4.51 0.00 2.70 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 68 S 7.91 4.29 0.00 4.13 4.14 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 69 E 8.14 3.88 0.00 2.34 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 2.35 2.43 0.00 70 I 7.66 4.06 2.09 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 1.04 0.00 0.00 71 M 8.20 4.21 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 72 Q 7.93 4.35 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 73 E 8.24 4.50 0.00 2.53 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 2.58 2.80 0.00 74 D 7.58 4.37 0.00 2.41 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 0.00 0.00 0.00 75 D 7.08 3.37 0.00 2.49 1.54 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 76 L 7.56 3.80 0.00 1.47 1.65 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.37 0.00 2.10 2.10 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 78 W 7.35 4.72 0.00 3.20 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 79 P 0.00 4.46 0.00 2.09 2.00 0.00 3.61 0.00 0.00 3.88 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 80 P 0.00 4.80 0.00 2.08 2.07 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 81 P 0.00 4.56 0.00 2.09 2.07 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 82 D 8.12 5.08 0.00 2.75 2.60 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 83 R 8.68 4.52 0.00 1.84 2.00 0.00 3.21 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 84 V 7.59 3.99 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 0.82 0.00 0.00 0.96 0.00 0.00 85 G 7.57 4.19 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 0.00 86 R 8.07 5.29 0.00 1.95 1.89 0.00 3.06 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 87 Q 9.39 5.27 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 88 E 9.43 5.27 0.00 1.84 1.85 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 2.25 2.35 0.00 89 L 9.22 5.16 0.00 2.22 2.02 1.15 0.79 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 90 E 9.55 5.21 0.00 2.08 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 2.41 2.30 0.00 91 I 9.02 5.25 1.90 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 1.21 0.76 1.10 0.00 0.00 92 V 8.93 4.81 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 1.02 0.00 0.00 0.63 0.00 0.00 93 I 8.67 4.52 1.97 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 1.44 1.40 0.94 0.00 0.00 94 G 8.79 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 95 D 9.18 4.50 0.00 2.65 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 96 E 7.96 4.55 0.00 2.15 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 2.30 2.26 0.00 97 H 8.59 5.52 0.00 3.04 3.09 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 98 I 9.02 4.47 0.89 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.77 0.76 0.00 0.00 99 S 8.27 4.77 0.00 3.76 3.72 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 0.00 100 F 9.36 5.22 0.00 3.23 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 0.00 101 T 8.79 5.26 4.29 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 1.23 0.00 0.00 102 T 8.62 4.76 4.29 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 1.12 0.00 0.00 103 S 8.49 4.79 0.00 3.96 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.70 4.16 0.00 1.73 1.87 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.51 7.81 105 T 8.61 3.12 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 1.23 0.00 0.00 *108 L 7.85 3.88 0.00 1.07 1.08 0.80 0.75 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 0.00 109 V 8.11 3.36 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 0.71 0.00 0.00 0.90 0.00 0.00 110 D 8.16 4.40 0.00 2.64 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 0.00 111 V 7.20 3.55 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 0.67 0.00 0.00 0.88 0.00 0.00 112 N 7.62 4.24 0.00 2.93 2.87 0.00 0.00 6.93 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 0.00 113 R 7.57 4.34 0.00 1.74 1.89 0.00 3.29 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 114 S 7.45 4.67 0.00 4.05 3.86 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 0.00 115 K 8.39 4.07 0.00 1.98 1.82 0.00 2.13 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 116 D 8.80 4.44 0.00 3.04 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 0.00 117 P 0.00 4.37 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 118 E 8.31 4.09 0.00 2.13 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 2.45 2.54 0.00 119 G 8.16 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.97 3.11 0.00 1.35 1.40 -0.52 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.12 3.87 0.00 2.26 2.03 0.00 3.44 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 122 C 8.26 4.28 0.00 3.28 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 0.00 123 F 8.39 4.26 0.00 3.03 2.85 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 0.00 124 Y 8.17 3.94 0.00 3.14 2.97 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 0.00 125 Y 8.25 4.07 0.00 3.12 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 0.00 126 L 8.09 3.91 0.00 1.87 1.83 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.53 3.27 1.77 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 0.47 0.00 0.00 0.41 0.00 0.00 128 Q 7.48 3.74 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 129 D 8.19 4.29 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.05 3.83 0.00 1.73 1.74 1.00 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 0.00 131 K 7.77 3.21 0.00 1.65 1.03 0.00 1.45 0.00 0.00 1.46 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 1.13 7.81 132 C 7.73 4.00 0.00 3.06 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 0.00 133 L 7.46 3.85 0.00 1.72 1.60 0.78 1.25 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 0.00 134 V 7.34 3.44 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 0.90 0.00 0.00 0.02 0.00 0.00 135 F 8.19 4.45 0.00 3.03 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 0.00 136 S 8.06 4.13 0.00 4.06 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.06 3.95 0.00 1.81 1.70 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.09 3.89 1.60 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 1.48 0.22 0.63 0.00 0.00 139 G 8.21 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 0.00 0.00 0.00 140 L 7.71 3.98 0.00 1.78 1.70 0.90 0.90 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 0.00 141 H 8.32 4.17 0.00 2.93 2.84 0.00 5.89 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 0.00 142 F 8.12 4.76 0.00 3.11 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 0.00 143 K 8.46 3.92 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 144 I 6.59 4.49 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 0.88 0.00 0.00 145 K 7.97 4.27 0.00 1.63 1.63 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.08 1.19 7.81 146 P 0.00 4.48 0.00 1.81 1.85 0.00 3.29 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.00 0.00 * Residues marked with a * may have inaccurate shift predictions.