NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6252 8.2227 120.5317 54.3887 42.6401 177.2789 6 L 3.9024 7.7254 119.7458 57.1793 42.0074 177.1776 7 N 4.4389 8.8815 117.7397 56.2322 38.9842 176.7610 8 K 4.0296 7.9972 120.0066 59.3183 32.0282 179.1586 9 L 4.0456 7.8738 120.2721 58.0933 41.9041 178.6395 10 L 4.0690 7.4987 118.4393 57.9517 42.0714 178.1085 11 E 4.1872 7.9925 118.3428 58.4242 29.9496 177.7972 12 L 4.4389 8.3380 118.8862 56.2281 42.1018 178.5339 13 W 4.1507 8.6513 129.0705 60.2073 30.6112 175.9640 14 P 4.1755 0.0000 0.0000 66.2137 30.7071 178.2365 15 H 4.3070 7.8788 114.2099 58.5763 28.7209 177.8127 16 I 3.5252 7.2249 121.4301 64.2791 36.7684 178.2327 17 Q 3.6446 7.5777 120.7610 58.9344 28.8192 177.8875 18 E 3.8612 7.9037 120.0588 59.2111 29.5782 178.1902 19 Y 3.9835 7.8744 119.8938 60.5696 38.7537 177.6385 20 Q 3.7743 8.1220 120.6215 59.0246 28.9692 177.8034 21 D 4.2748 8.1943 120.3712 57.2075 40.9402 178.5459 22 L 3.8556 7.9098 120.5777 57.8992 42.0526 178.7333 23 A 3.9092 7.7403 120.8093 55.1418 18.3039 179.4565 24 L 4.0574 7.9679 119.0184 57.4264 41.5157 179.9993 25 K 3.9698 7.6261 116.7922 58.8482 31.8617 178.0130 26 H 4.8012 7.3709 113.3919 55.1302 29.2384 175.3234 27 G 3.7673 7.9480 107.7354 45.7761 0.0000 173.9768 28 I 4.2906 7.6387 121.2652 59.2351 37.7426 176.4133 29 N 4.3883 8.6662 124.2051 55.4949 38.8369 175.1993 30 D 4.5806 7.7128 117.6780 52.4461 42.9504 175.4401 31 I 3.6356 8.5518 122.0742 63.3634 37.7064 177.5059 32 F 5.0338 8.1923 118.7579 57.4056 38.9547 175.2818 33 Q 4.5636 7.7495 119.9302 55.3169 32.7931 174.5234 34 D 4.4297 9.5433 118.6546 56.5050 38.5747 173.3953 35 N 4.2141 8.2313 109.2152 53.9595 37.3074 177.1210 36 G 3.9274 8.2992 107.0463 48.3335 0.0000 176.4618 37 G 3.8924 8.0290 106.3569 46.5936 0.0000 175.5640 38 K 4.2867 7.7734 120.5001 59.1078 32.4984 178.5688 39 L 4.0102 7.9951 120.6614 58.1415 41.8735 178.5542 40 L 3.8560 7.7710 119.6753 58.3596 41.9055 179.0100 41 Q 3.9520 7.9416 117.6620 59.0039 28.6470 179.0372 42 V 3.4575 7.7878 118.5703 65.9071 31.5701 177.7800 43 L 3.8788 7.8941 118.5625 57.8901 41.2691 179.6269 44 L 3.8585 7.6718 117.4871 57.6481 41.5838 179.4357 45 I 3.6981 7.4136 118.7041 64.5986 37.1935 178.0604 46 T 4.0821 7.8451 111.4856 62.1628 67.2416 174.9768 47 G 3.7905 7.8423 107.9678 46.6005 0.0000 173.4801 48 L 4.6362 7.6009 118.6577 53.6100 43.9042 175.8437 49 T 4.6720 8.5595 116.7816 61.7596 71.2254 174.7959 50 V 4.2158 8.4815 119.1861 61.4598 32.4471 175.4522 51 L 4.8479 8.4363 123.5713 52.0368 44.2662 175.0036 52 P 4.3057 0.0000 0.0000 62.4707 31.9167 176.6948 53 G 3.5772 8.4524 111.0665 45.4730 0.0000 173.6834 *56 G 3.8618 8.2437 113.0171 45.2515 0.0000 171.8131 57 N 4.4562 8.7151 118.1798 54.0605 39.2386 174.2630 58 D 4.8982 8.8650 120.1034 54.9732 43.5851 175.7193 59 A 5.1273 7.6888 118.3797 51.2104 23.1593 175.1000 60 V 5.2400 8.8751 111.2851 60.3063 36.8217 174.9025 61 D 5.1047 8.8401 123.3212 51.7971 41.7975 177.0426 62 N 4.3203 8.9371 114.9919 55.7576 38.4925 175.9475 63 A 4.3516 8.2624 119.1963 51.7855 19.1285 177.8047 64 G 3.8862 8.2825 104.7710 45.4302 0.0000 173.4757 65 Q 4.1459 8.5719 122.7516 55.5599 29.8224 175.1457 66 E 4.9401 8.6139 126.0530 56.2651 30.9309 175.3548 67 Y 4.9190 9.1971 119.2533 56.3144 43.0227 173.7040 68 E 4.6158 8.5240 122.0544 54.3386 31.7189 174.2722 69 L 5.0083 9.0420 128.8494 53.0915 44.6320 175.5640 70 K 4.8571 8.7790 125.1840 54.5685 35.7808 175.3849 71 S 5.7154 8.9107 117.5451 57.0855 66.6237 172.8444 72 I 4.5624 8.8761 119.3378 59.9016 41.9274 173.2236 73 N 5.2170 8.7546 127.4936 52.0723 39.0078 175.0406 74 I 3.6297 8.9578 128.6204 63.9430 38.1788 176.7018 75 D 4.5988 8.0624 118.1356 55.5348 41.0855 176.9085 76 L 4.4916 7.9337 118.2878 55.6648 43.1972 176.0505 77 T 4.6754 7.4508 109.8611 60.6142 70.8892 172.3623 78 K 4.5695 8.5396 121.7410 55.5742 34.1870 174.9067 79 G 4.4555 8.0383 104.8286 44.2618 0.0000 173.1143 80 F 4.6712 9.1301 124.0103 57.5544 40.2327 175.5610 81 S 4.6286 8.9325 118.9816 59.2671 63.8554 172.3201 82 T 4.6752 9.9781 109.6368 62.0759 70.5356 173.6307 83 H 4.7135 8.2258 116.1786 54.1319 33.8707 173.9331 84 H 4.2259 9.1337 122.8288 58.0250 29.6235 175.2722 85 H 5.2457 7.8963 113.9357 54.2407 27.3708 174.9361 86 M 4.0481 8.0902 119.6626 56.2852 33.7099 175.7748 87 N 4.7675 8.2983 121.8146 49.6759 40.8743 173.4560 88 P 4.0503 0.0000 0.0000 65.7391 30.5793 178.7767 89 V 3.3659 8.1949 118.3975 65.8976 31.3935 178.0398 90 I 3.3804 7.4904 118.8964 64.2934 36.9049 178.1618 91 I 3.4997 7.4455 120.3085 64.4177 36.7125 178.1499 92 A 3.9003 7.6712 120.2444 55.0293 18.4545 179.3905 93 K 4.0162 7.5259 117.7373 59.9380 32.2152 178.5623 94 Y 4.6899 8.1359 117.2952 61.5834 37.5747 179.0843 95 R 4.0639 7.9049 117.9297 59.2237 30.1917 178.6722 96 Q 4.2391 8.0381 116.5141 56.7527 29.1160 176.4015 97 V 4.5540 7.0043 112.4541 58.4140 35.5382 173.5582 98 P 4.8951 0.0000 0.0000 62.7557 33.1068 174.7701 99 W 5.2127 9.4041 121.0062 55.1659 32.0751 174.8047 100 I 4.8746 8.7309 124.7759 59.6315 39.2853 174.5227 101 F 4.9998 9.5365 125.8787 55.6731 41.6477 174.0692 102 A 5.0931 9.4662 126.8047 50.3303 21.3780 175.3821 103 I 4.8206 8.8736 123.7877 60.0350 39.7195 174.6736 104 Y 5.1673 9.3211 125.3386 56.3337 41.4663 175.4215 105 R 4.7068 8.9376 121.3605 54.3217 32.7138 175.6337 106 G 4.0437 9.2269 119.4286 46.8955 0.0000 173.7926 107 I 4.1640 8.6039 117.8606 60.2083 38.2784 174.8872 108 A 4.7093 7.7293 125.3452 50.5468 20.2671 176.3503 109 I 3.7221 8.3765 123.0457 60.9977 38.5734 175.2078 110 E 4.6478 9.2081 127.5730 57.9904 31.1082 176.0729 111 A 4.8592 7.5186 117.7752 51.1935 22.9037 175.3667 112 I 5.1675 8.6134 119.8435 59.9317 41.5380 174.3206 113 Y 5.3169 9.3478 123.4728 56.1666 42.2457 174.3618 114 R 5.3333 9.2384 122.0666 54.6702 33.3108 174.1098 115 L 5.1891 9.1221 125.7794 53.0526 44.9138 176.4151 116 E 4.6959 9.6035 123.2565 54.9821 30.8119 175.8574 117 P 4.3987 0.0000 0.0000 66.0144 31.1060 179.0946 118 K 3.9982 8.0765 115.5514 59.6897 32.5145 178.0647 119 D 4.5568 8.1882 118.9066 55.4873 41.2594 177.2151 120 L 4.2832 7.7129 118.5358 54.0033 42.5319 177.5210 121 E 3.8559 7.9442 120.1588 59.2571 29.3168 177.9317 122 F 3.8388 8.0910 120.0033 61.8413 39.1645 176.7813 123 Y 3.0268 7.1396 115.2000 60.4122 37.5359 177.3893 124 Y 4.4115 7.2191 117.7152 61.2345 37.9590 178.2594 125 D 4.2998 8.6357 119.1799 57.1253 41.3507 177.9806 126 K 3.6948 7.2633 119.7375 59.4720 32.0466 178.7788 127 W 4.5084 8.1946 119.4824 59.7526 28.4605 178.1330 128 E 4.1774 8.7544 119.5640 59.6283 29.0908 179.2062 129 R 4.2010 8.5246 118.2946 59.0237 30.0555 179.1488 130 K 4.0390 8.2824 118.5025 59.2499 32.1420 178.8445 131 W 4.1003 8.7165 128.9190 61.0147 30.4292 177.6269 132 Y 4.0726 8.1240 115.5517 61.0062 37.1539 178.3184 133 S 4.1775 8.2974 115.4318 61.6970 63.0676 174.8060 134 D 4.5608 8.2483 117.9780 54.1348 40.6277 176.3148 135 G 3.3766 7.6474 105.6236 47.3841 0.0000 174.2799 136 H 2.0000 7.3825 110.9427 56.0258 26.7366 176.0058 137 K 4.3271 6.6081 118.1510 54.0658 34.2960 174.8456 138 D 5.2527 8.6327 126.5108 54.1889 41.6529 176.1438 139 I 4.1537 8.5388 124.9042 60.8403 38.7654 174.7739 140 N 5.2519 9.0097 124.5368 53.3786 37.8110 176.1429 141 N 4.1701 8.1752 118.5493 53.2441 36.5156 170.9245 142 P 4.4209 0.0000 0.0000 62.1703 32.3911 176.5088 143 K 4.8164 8.6536 122.6969 55.4010 34.5231 176.1036 144 I 4.1001 8.4954 123.2974 58.6845 39.6236 173.5714 145 P 4.5621 0.0000 0.0000 62.9925 31.8525 178.1102 146 V 3.7714 8.5490 123.0446 65.9242 31.3637 178.3663 147 K 3.9125 8.0478 119.1840 59.3608 32.0644 178.0847 148 Y 3.8864 7.9707 119.9860 60.6961 38.7619 178.2224 149 V 3.4344 7.7066 112.8571 64.6920 31.4371 178.3848 150 M 3.0729 7.6153 117.0715 57.5632 31.7309 177.7571 151 E 4.0580 7.4582 117.8935 57.4115 30.0772 176.2575 152 H 4.5464 7.8847 113.2525 55.1218 30.5918 173.9691 153 G 4.1907 7.8210 106.7783 45.1925 0.0000 173.2145 154 T 4.6106 8.8012 117.0132 62.2084 70.2752 174.6232 155 K 4.1926 8.6539 127.9464 55.7277 31.8683 176.1758 156 I 4.0830 8.4789 129.9166 63.4047 38.2593 175.9411 157 Y 4.2029 7.4496 127.4216 57.8955 38.6227 173.9004 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 D 8.22 4.63 0.00 2.80 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 6 L 7.73 3.90 0.00 1.78 1.66 0.90 0.37 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 7 N 8.88 4.44 0.00 2.86 2.86 0.00 0.00 7.17 6.91 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 8 K 8.00 4.03 0.00 2.09 1.89 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 9 L 7.87 4.05 0.00 1.78 1.84 1.05 0.45 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 10 L 7.50 4.07 0.00 1.72 1.91 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.99 4.19 0.00 2.08 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 2.37 2.53 0.00 12 L 8.34 4.44 0.00 1.91 1.78 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.65 4.15 0.00 3.61 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.18 0.00 2.02 2.05 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 15 H 7.88 4.31 0.00 3.32 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.22 3.53 1.02 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 1.59 1.19 0.55 0.00 0.00 17 Q 7.58 3.64 0.00 1.68 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 18 E 7.90 3.86 0.00 2.14 2.07 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 2.30 2.29 0.00 19 Y 7.87 3.98 0.00 3.15 2.99 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 20 Q 8.12 3.77 0.00 2.01 2.11 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 2.28 2.36 0.00 21 D 8.19 4.27 0.00 2.90 2.65 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 0.00 0.00 0.00 0.00 22 L 7.91 3.86 0.00 1.78 1.58 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.74 3.91 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 24 L 7.97 4.06 0.00 1.79 1.69 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.63 3.97 0.00 1.76 1.73 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.64 7.81 26 H 7.37 4.80 0.00 3.09 3.23 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.95 3.77 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 0.00 0.00 0.00 28 I 7.64 4.29 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.19 0.85 0.00 0.00 29 N 8.67 4.39 0.00 2.68 2.86 0.00 0.00 6.86 8.06 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 30 D 7.71 4.58 0.00 2.66 2.50 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 31 I 8.55 3.64 1.78 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.82 0.00 0.00 32 F 8.19 5.03 0.00 3.27 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 33 Q 7.75 4.56 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.20 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 34 D 9.54 4.43 0.00 2.76 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 35 N 8.23 4.21 0.00 2.83 2.74 0.00 0.00 6.83 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 36 G 8.30 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 37 G 8.03 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 0.00 0.00 0.00 38 K 7.77 4.29 0.00 1.76 1.26 0.00 1.45 0.00 0.00 0.97 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.37 7.81 39 L 8.00 4.01 0.00 1.76 1.81 0.93 0.38 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 40 L 7.77 3.86 0.00 1.66 1.58 0.71 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.94 3.95 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 42 V 7.79 3.46 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 1.08 0.00 0.00 0.97 0.00 0.00 43 L 7.89 3.88 0.00 1.78 1.61 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.67 3.86 0.00 1.49 1.62 0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.41 3.70 1.61 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 0.95 0.30 0.53 0.00 0.00 46 T 7.85 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 1.17 0.00 0.00 47 G 7.84 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 0.00 0.00 0.00 48 L 7.60 4.64 0.00 1.42 1.52 0.45 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.56 4.67 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 1.21 0.00 0.00 50 V 8.48 4.22 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 0.65 0.00 0.00 0.97 0.00 0.00 51 L 8.44 4.85 0.00 1.50 1.54 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.31 0.00 2.02 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 53 G 8.45 3.58 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 0.00 0.00 0.00 *56 G 8.24 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 0.00 0.00 0.00 57 N 8.72 4.46 0.00 2.79 2.87 0.00 0.00 6.63 8.06 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 58 D 8.86 4.90 0.00 2.49 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 59 A 7.69 5.13 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 60 V 8.88 5.24 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 0.77 0.00 0.00 0.96 0.00 0.00 61 D 8.84 5.10 0.00 2.84 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 62 N 8.94 4.32 0.00 2.75 2.94 0.00 0.00 6.76 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.26 4.35 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.28 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 0.00 0.00 0.00 65 Q 8.57 4.15 0.00 2.14 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.87 0.00 0.00 0.00 0.00 0.00 2.00 1.50 0.00 66 E 8.61 4.94 0.00 1.84 1.84 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 2.30 2.32 0.00 67 Y 9.20 4.92 0.00 2.78 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 68 E 8.52 4.62 0.00 1.45 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 69 L 9.04 5.01 0.00 1.46 1.50 0.91 0.52 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 70 K 8.78 4.86 0.00 1.26 1.69 0.00 1.42 0.00 0.00 1.24 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.65 7.81 71 S 8.91 5.72 0.00 4.24 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 72 I 8.88 4.56 1.31 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 0.63 1.08 0.73 0.00 0.00 73 N 8.75 5.22 0.00 2.84 2.72 0.00 0.00 6.75 7.77 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 74 I 8.96 3.63 1.92 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 1.33 0.82 0.97 0.00 0.00 75 D 8.06 4.60 0.00 2.86 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 76 L 7.93 4.49 0.00 1.61 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.45 4.68 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 1.22 0.00 0.00 78 K 8.54 4.57 0.00 1.80 1.65 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.38 7.81 79 G 8.04 4.46 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 80 F 9.13 4.67 0.00 3.27 3.30 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 81 S 8.93 4.63 0.00 3.83 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 82 T 9.98 4.68 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 1.50 0.00 0.00 83 H 8.23 4.71 0.00 3.31 3.10 0.00 5.68 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 84 H 9.13 4.23 0.00 3.21 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.90 5.25 0.00 3.01 3.46 0.00 5.91 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.09 4.05 0.00 2.14 1.75 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.25 0.00 87 N 8.30 4.77 0.00 2.06 2.84 0.00 0.00 5.99 7.76 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 88 P 0.00 4.05 0.00 2.00 2.08 0.00 2.20 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.00 89 V 8.19 3.37 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 0.89 0.00 0.00 0.76 0.00 0.00 90 I 7.49 3.38 1.58 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 1.32 0.28 0.04 0.00 0.00 91 I 7.45 3.50 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.71 0.86 0.00 0.00 92 A 7.67 3.90 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 93 K 7.53 4.02 0.00 1.71 1.81 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 94 Y 8.14 4.69 0.00 2.99 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 95 R 7.90 4.06 0.00 1.95 2.04 0.00 3.17 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 96 Q 8.04 4.24 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 97 V 7.00 4.55 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 0.73 0.00 0.00 1.04 0.00 0.00 98 P 0.00 4.90 0.00 2.33 2.40 0.00 3.66 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 1.46 1.72 0.00 99 W 9.40 5.21 0.00 3.20 2.57 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 0.00 100 I 8.73 4.87 1.76 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 1.23 0.74 0.86 0.00 0.00 101 F 9.54 5.00 0.00 2.88 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 0.00 102 A 9.47 5.09 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 0.00 103 I 8.87 4.82 2.14 0.00 0.00 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 1.56 1.46 1.02 0.00 0.00 104 Y 9.32 5.17 0.00 3.05 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 0.00 105 R 8.94 4.71 0.00 2.01 1.83 0.00 3.30 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 106 G 9.23 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 0.00 107 I 8.60 4.16 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.93 0.00 0.00 108 A 7.73 4.71 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.38 3.72 1.71 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 0.98 0.61 0.91 0.00 0.00 110 E 9.21 4.65 0.00 2.03 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 2.48 2.45 0.00 111 A 7.52 4.86 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 0.00 112 I 8.61 5.17 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.91 0.00 0.00 113 Y 9.35 5.32 0.00 3.03 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 0.00 114 R 9.24 5.33 0.00 1.95 1.86 0.00 3.21 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 115 L 9.12 5.19 0.00 1.90 1.63 0.97 0.79 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 0.00 116 E 9.60 4.70 0.00 2.02 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 2.53 2.47 0.00 117 P 0.00 4.40 0.00 2.25 2.51 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 118 K 8.08 4.00 0.00 1.92 1.98 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.55 7.81 119 D 8.19 4.56 0.00 2.82 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 0.00 120 L 7.71 4.28 0.00 1.00 0.26 -0.11 0.65 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 0.00 121 E 7.94 3.86 0.00 2.10 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 2.40 2.44 0.00 122 F 8.09 3.84 0.00 2.96 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 0.00 123 Y 7.14 3.03 0.00 2.13 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 0.00 124 Y 7.22 4.41 0.00 3.08 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 0.00 125 D 8.64 4.30 0.00 2.94 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.26 3.69 0.00 1.27 1.35 0.00 1.55 0.00 0.00 1.03 0.00 0.00 2.89 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.36 1.29 7.81 127 W 8.19 4.51 0.00 3.61 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 0.00 128 E 8.75 4.18 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 129 R 8.52 4.20 0.00 2.10 2.04 0.00 3.20 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.09 0.00 130 K 8.28 4.04 0.00 2.18 2.02 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.81 7.81 131 W 8.72 4.10 0.00 3.50 3.28 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 0.00 132 Y 8.12 4.07 0.00 3.27 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 0.00 133 S 8.30 4.18 0.00 3.96 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 0.00 134 D 8.25 4.56 0.00 2.66 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 0.00 135 G 7.65 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 0.00 0.00 0.00 136 H 7.38 2.00 0.00 2.78 2.39 0.00 5.63 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 6.61 4.33 0.00 1.51 1.53 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.36 7.81 138 D 8.63 5.25 0.00 2.66 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 0.00 139 I 8.54 4.15 1.78 0.00 0.00 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 1.49 1.09 0.87 0.00 0.00 140 N 9.01 5.25 0.00 2.72 2.82 0.00 0.00 6.52 8.04 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 0.00 141 N 8.18 4.17 0.00 2.73 3.20 0.00 0.00 7.38 7.69 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 0.00 142 P 0.00 4.42 0.00 1.12 1.75 0.00 3.33 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 143 K 8.65 4.82 0.00 1.69 1.79 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 144 I 8.50 4.10 2.00 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 0.60 1.08 0.54 0.00 0.00 145 P 0.00 4.56 0.00 2.22 2.07 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 146 V 8.55 3.77 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 1.02 0.00 0.00 0.74 0.00 0.00 147 K 8.05 3.91 0.00 1.87 1.83 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.47 7.81 148 Y 7.97 3.89 0.00 3.18 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 0.00 149 V 7.71 3.43 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 0.00 0.00 -0.17 0.00 0.00 0.82 0.00 0.00 150 M 7.62 3.07 0.00 1.83 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 151 E 7.46 4.06 0.00 1.93 1.72 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 1.88 2.13 0.00 152 H 7.88 4.55 0.00 2.79 3.11 0.00 5.89 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 0.00 153 G 7.82 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 0.00 154 T 8.80 4.61 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 1.25 0.00 0.00 155 K 8.65 4.19 0.00 1.73 1.64 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 0.42 7.81 156 I 8.48 4.08 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.90 0.00 0.00 157 Y 7.45 4.20 0.00 2.86 2.62 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 * Residues marked with a * may have inaccurate shift predictions.