NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1432 8.0249 114.2721 59.5872 39.0895 175.2392 6 P 4.0702 0.0000 0.0000 62.5156 31.7149 176.7101 7 K 4.0267 8.6517 124.9986 57.5482 32.6678 175.3750 8 I 3.8922 7.5797 110.2740 62.7883 37.8940 175.9561 9 I 3.9726 7.3113 123.1620 59.9424 37.2438 174.7174 10 P 4.5656 0.0000 0.0000 61.6512 33.5488 175.2377 11 P 4.2472 0.0000 0.0000 65.9520 31.2218 178.5419 12 E 3.9668 8.1528 117.5028 59.2061 29.5706 178.4855 13 L 4.0510 7.8771 119.9811 57.6551 42.2193 178.3644 14 L 3.9499 7.9886 120.6215 58.0069 42.0241 178.9283 15 K 3.9367 8.1223 119.5130 59.3984 31.9285 178.7270 16 V 3.9581 7.6533 117.3565 66.4143 31.5392 177.7814 17 L 4.2817 7.9506 117.1061 57.9897 41.4902 179.0311 18 C 4.3398 8.0054 116.4291 61.7865 29.4811 175.1799 19 E 4.2662 7.9814 120.6445 55.5087 26.6086 174.9180 *21 G 3.5601 7.6004 110.7606 45.8166 0.0000 168.8967 22 H 4.4092 8.4958 119.1121 58.5035 29.6762 175.4831 23 G 3.9870 8.8645 116.5030 45.2407 0.0000 173.3485 24 D 4.6133 8.0963 119.9262 54.5036 42.0881 175.5067 25 Q 5.4572 8.7735 119.9907 54.0817 32.5225 174.4217 26 L 5.2743 8.7733 121.5293 53.9638 44.4692 175.1501 27 V 4.6601 8.5293 120.1130 61.2323 34.2773 174.3943 28 I 4.3880 8.8270 129.2628 60.0859 38.4591 174.4046 29 A 4.6188 8.7421 130.8866 50.1655 20.7988 176.5815 30 D 4.7235 9.7370 123.2880 52.6133 40.7758 177.8093 31 G 3.7162 8.9554 108.2493 48.4075 0.0000 174.4057 32 N 4.6367 7.8940 115.1467 53.4589 39.1441 175.3392 33 F 4.3734 8.0128 121.6591 57.3639 40.4944 174.1295 34 P 4.4336 0.0000 0.0000 61.6955 29.9881 176.5166 35 A 4.3160 8.0145 127.0243 56.1712 18.7290 179.1559 36 E 3.9803 8.0772 115.8836 59.3576 29.7984 179.2759 37 S 4.2416 7.8699 113.9049 61.5141 63.3334 176.3745 38 I 3.8231 8.0050 124.0566 63.3583 36.6970 177.4685 39 G 4.0421 8.2209 110.1214 45.9804 0.0000 176.4795 40 K 3.9024 7.7261 124.6772 56.7615 31.6904 180.6401 41 N 4.8776 8.1009 113.2426 52.7814 38.8105 173.3271 42 A 4.7305 7.7813 120.2881 50.0482 22.8790 175.9362 43 I 4.0839 7.9631 119.1681 60.4529 38.5376 175.6681 44 V 4.6579 8.3572 127.4928 61.2132 33.1556 174.6925 45 V 4.3678 8.4790 128.4370 61.1987 33.4253 175.7346 46 R 4.4121 8.4963 126.8741 56.1066 31.1408 175.9828 *48 D 4.6034 8.6775 118.4904 54.2270 43.3873 177.5306 49 G 3.9024 8.1388 102.8647 46.6026 0.0000 173.3108 50 H 5.1666 8.0051 117.4314 53.6821 32.8378 173.9763 51 G 4.2986 8.6600 110.4978 44.4131 0.0000 175.1611 52 G 4.1361 8.9651 108.0455 47.1971 0.0000 176.3997 53 G 3.7925 8.2374 107.9151 47.5027 0.0000 175.0368 54 E 3.9596 8.2479 121.6523 59.0737 29.5892 178.8694 55 I 3.6273 7.6928 119.5307 64.2315 37.1123 178.0886 56 L 3.7843 8.1650 121.5128 57.9943 41.6548 178.7810 57 K 3.8773 8.0888 118.1524 59.5223 32.0021 178.1812 58 A 4.1361 7.9352 120.8121 55.2828 18.3095 179.6256 59 I 3.6266 7.9210 118.5270 64.6255 36.9791 178.7801 60 L 4.0657 8.0380 118.7354 57.4759 41.4303 179.3026 61 T 4.0766 7.5115 108.6336 63.7852 68.7181 175.1670 62 V 4.2975 7.8014 111.7803 60.4376 33.3571 175.0349 63 F 4.6375 7.9785 121.7193 55.1845 40.8539 172.1362 64 P 4.4781 0.0000 0.0000 62.5759 32.4519 175.6133 65 L 4.7552 8.4498 123.4199 54.0071 42.7827 176.2077 66 D 4.5522 8.7403 123.7983 55.1179 41.2263 176.3088 67 T 4.3445 8.8495 114.9906 62.3900 69.6041 174.8525 68 Y 4.2201 8.7153 119.5720 58.9086 38.3971 175.5822 69 V 4.6296 7.3885 112.1517 59.2831 35.2293 175.4701 70 D 4.5382 8.6388 121.7890 56.6495 41.1819 176.0864 71 K 4.8578 7.5642 117.4353 53.8168 32.2938 173.8599 72 P 4.5743 0.0000 0.0000 63.8756 33.0763 176.2918 73 A 5.2191 8.0871 123.4716 50.5274 21.8432 175.6271 74 T 5.0050 8.9490 118.0950 60.7478 72.3799 172.3371 75 L 5.0828 8.7105 127.7760 54.6668 42.8866 178.8290 *77 E 4.4011 8.8352 125.9690 56.7599 30.3568 174.6682 78 K 2.9831 8.5334 122.1228 55.5704 32.9416 177.3709 79 V 3.7075 8.2556 122.6102 62.2313 31.9873 173.7917 80 P 4.3702 0.0000 0.0000 64.5898 31.4968 176.4510 81 G 3.8627 9.1147 111.7108 45.0742 0.0000 172.6343 82 D 4.6005 8.0468 119.5953 53.5226 40.3620 175.4328 83 T 4.3953 8.2253 115.8620 60.8049 69.2768 175.2164 84 V 3.5007 7.2476 120.4253 62.2152 31.5372 176.0795 85 A 3.9475 8.3821 126.0056 52.5843 19.6787 177.5704 86 T 4.3007 7.5230 109.3194 59.1742 68.5961 173.4095 87 P 4.2262 0.0000 0.0000 66.1445 31.7299 178.1890 88 I 3.5167 7.5468 118.2351 63.4904 37.7625 177.4363 89 W 4.3976 7.9564 119.9640 60.0437 28.8694 178.0979 90 D 4.4619 8.1794 118.3509 57.0425 40.2304 178.8698 91 V 3.6071 7.6313 118.3806 66.3099 31.5373 177.3959 92 Y 4.4389 8.2061 116.4607 61.3153 37.6837 178.7059 93 A 4.1851 8.3056 121.7246 55.0131 18.3480 179.7630 94 G 3.6771 8.2701 104.2456 48.2049 0.0000 175.9354 95 L 4.1045 7.7963 120.3607 57.3896 41.8860 179.4134 96 I 3.9073 8.1101 120.0432 64.2223 35.4825 178.0928 97 K 4.0225 8.4681 120.9110 59.9235 31.6720 178.4325 98 E 4.2207 7.8788 117.7922 58.9612 29.3830 177.5138 99 H 4.7306 7.6296 113.0964 55.6487 30.9960 174.0427 100 D 4.6870 8.4653 121.3882 52.6528 43.3892 176.1559 101 E 4.0450 9.1999 123.2547 59.2728 29.9457 175.2245 102 R 4.1214 8.5961 117.3483 57.4013 31.5013 178.6760 103 G 3.7770 7.9252 106.4390 45.9230 0.0000 176.3174 104 A 3.9836 8.7777 126.5230 55.0743 18.0989 179.4401 105 D 4.4640 7.9929 113.9879 56.3670 41.1541 176.9803 106 A 4.5779 8.1201 121.2182 51.7344 19.0469 176.4601 107 I 4.7109 7.6202 118.0240 59.5492 38.7210 175.3560 108 G 4.4729 8.6794 115.7467 45.2301 0.0000 171.9023 109 S 5.2796 8.2631 112.5444 57.3705 65.9299 173.6446 110 L 4.9231 8.6783 120.0731 52.5897 45.4089 176.5016 111 E 4.0398 8.9862 122.8306 56.3449 30.5035 177.2520 112 R 3.6320 8.8646 124.0053 60.1880 29.9007 178.8578 113 F 4.1890 8.6269 116.2657 60.2441 39.0090 177.5039 114 A 4.1411 8.6492 120.7406 54.9767 18.0764 179.5192 115 F 3.9306 8.4740 119.5439 61.6306 39.5982 176.8725 116 Y 4.6665 7.9532 116.4284 61.4767 37.4898 178.6600 117 E 4.0725 8.2175 118.1174 59.5880 29.9111 178.9794 118 Q 4.0524 8.3889 119.4404 59.0214 29.1174 177.9839 119 A 3.9842 8.4154 122.2401 54.8989 18.1759 179.5994 120 K 4.3342 7.8654 117.2309 58.3567 32.1608 178.1235 121 N 4.6710 7.8692 114.6468 52.3932 39.2232 175.2716 122 A 4.2262 7.2675 124.1684 52.0559 19.3911 177.2299 123 Y 4.2443 8.9704 122.8672 60.5071 40.1381 175.5733 124 C 5.1598 8.0164 118.0323 57.7267 35.7123 172.6998 125 V 4.6834 8.8332 125.7719 61.2307 33.7979 174.0687 126 I 4.6695 9.1003 129.4176 59.9820 38.7971 174.9731 127 A 4.7319 8.9853 131.4942 50.6929 18.1706 176.9022 128 S 4.3566 8.7770 116.6583 58.4276 64.7319 174.3739 129 G 4.5159 8.4821 104.7522 45.2154 0.0000 173.4280 130 E 4.2059 8.4142 123.1661 56.6670 29.8792 178.0223 131 S 4.3714 8.9069 121.0529 59.4820 64.0513 174.4699 132 A 4.1404 7.9534 124.7661 51.9381 18.6736 177.3590 133 Q 4.1288 8.3899 120.3438 56.2338 29.7016 174.9172 134 Y 3.6425 7.6720 113.6228 59.6324 35.4780 171.0685 135 A 4.9317 8.2586 117.8152 51.9517 19.9606 178.1566 136 N 4.7468 8.0617 114.2993 53.8090 39.7510 174.5982 137 L 4.9246 8.9218 124.0876 53.7965 45.9917 174.6618 138 I 4.7032 8.9404 127.6180 60.0754 39.2222 174.6456 139 L 5.2010 8.9786 126.5187 52.9095 45.1518 175.0250 140 Q 5.1572 8.9673 124.8102 54.1249 31.3271 174.4682 141 K 3.7442 9.2189 128.9628 56.4430 33.3524 176.6156 142 G 4.1906 8.1953 115.8653 45.4353 0.0000 173.2184 143 V 4.0201 8.1673 119.7764 61.7871 32.9718 177.2012 144 V 3.9045 8.0104 122.6981 62.9620 31.4436 175.4561 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 I 8.02 4.14 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.92 0.00 0.00 6 P 0.00 4.07 0.00 2.27 2.03 0.00 3.61 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 2.32 2.14 0.00 7 K 8.65 4.03 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 8 I 7.58 3.89 1.63 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 1.36 0.93 0.89 0.00 0.00 9 I 7.31 3.97 1.87 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 1.33 0.52 0.91 0.00 0.00 10 P 0.00 4.57 0.00 2.27 2.19 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 11 P 0.00 4.25 0.00 2.18 2.16 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 12 E 8.15 3.97 0.00 2.04 1.95 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 2.39 2.38 0.00 13 L 7.88 4.05 0.00 1.80 1.78 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.99 3.95 0.00 2.00 1.72 0.93 0.32 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 15 K 8.12 3.94 0.00 1.91 1.98 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.48 7.81 16 V 7.65 3.96 2.32 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 1.13 0.00 0.00 1.04 0.00 0.00 17 L 7.95 4.28 0.00 1.86 1.84 0.95 0.89 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 18 C 8.01 4.34 0.00 3.12 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 19 E 7.98 4.27 0.00 2.10 2.00 0.00 0.00 0.00 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 2.26 0.00 *21 G 7.60 3.56 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 0.00 0.00 0.00 22 H 8.50 4.41 0.00 2.91 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 23 G 8.86 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 24 D 8.10 4.61 0.00 2.72 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 25 Q 8.77 5.46 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 26 L 8.77 5.27 0.00 1.81 1.74 0.63 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.53 4.66 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 0.71 0.00 0.00 0.85 0.00 0.00 28 I 8.83 4.39 1.70 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 1.02 0.41 0.84 0.00 0.00 29 A 8.74 4.62 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 9.74 4.72 0.00 2.96 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 31 G 8.96 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 0.00 0.00 0.00 32 N 7.89 4.64 0.00 2.64 2.85 0.00 0.00 6.96 7.85 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 33 F 8.01 4.37 0.00 3.34 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.43 0.00 1.88 1.89 0.00 2.43 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.17 0.00 35 A 8.01 4.32 1.50 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 36 E 8.08 3.98 0.00 1.94 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 2.33 2.31 0.00 37 S 7.87 4.24 0.00 3.96 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 38 I 8.01 3.82 2.09 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 1.16 0.00 0.00 39 G 8.22 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 40 K 7.73 3.90 0.00 1.74 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.30 7.81 41 N 8.10 4.88 0.00 2.67 2.81 0.00 0.00 6.61 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 42 A 7.78 4.73 1.26 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 0.00 0.00 43 I 7.96 4.08 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.40 0.90 0.00 0.00 44 V 8.36 4.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.97 0.00 0.00 45 V 8.48 4.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 46 R 8.50 4.41 0.00 1.75 2.10 0.00 3.47 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 *48 D 8.68 4.60 0.00 2.62 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 49 G 8.14 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 50 H 8.01 5.17 0.00 3.07 3.16 0.00 5.61 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 51 G 8.66 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.97 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 0.00 0.00 0.00 53 G 8.24 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 54 E 8.25 3.96 0.00 2.09 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 0.00 2.37 2.43 0.00 55 I 7.69 3.63 1.98 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 1.38 0.66 0.84 0.00 0.00 56 L 8.16 3.78 0.00 1.55 1.69 0.74 0.34 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 57 K 8.09 3.88 0.00 1.92 2.01 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.51 7.81 58 A 7.94 4.14 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 59 I 7.92 3.63 1.82 0.00 0.00 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 1.67 0.64 0.52 0.00 0.00 60 L 8.04 4.07 0.00 1.54 1.50 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.51 4.08 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 1.29 0.00 0.00 62 V 7.80 4.30 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 0.71 0.00 0.00 1.07 0.00 0.00 63 F 7.98 4.64 0.00 2.90 2.94 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 64 P 0.00 4.48 0.00 2.04 2.08 0.00 3.29 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 65 L 8.45 4.76 0.00 1.60 1.69 0.97 1.25 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 66 D 8.74 4.55 0.00 2.97 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 67 T 8.85 4.34 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 1.21 0.00 0.00 68 Y 8.72 4.22 0.00 3.13 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 69 V 7.39 4.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 70 D 8.64 4.54 0.00 2.71 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 71 K 7.56 4.86 0.00 1.68 1.77 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.32 7.81 72 P 0.00 4.57 0.00 2.17 2.48 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 73 A 8.09 5.22 1.26 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 0.00 0.00 74 T 8.95 5.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 75 L 8.71 5.08 0.00 1.13 0.29 -0.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *77 E 8.84 4.40 0.00 1.90 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 2.18 2.45 0.00 78 K 8.53 2.98 0.00 1.53 1.46 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 1.12 7.81 79 V 8.26 3.71 2.22 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 1.13 0.00 0.00 1.10 0.00 0.00 80 P 0.00 4.37 0.00 2.11 2.02 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 81 G 9.11 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 82 D 8.05 4.60 0.00 2.70 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 83 T 8.23 4.40 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 84 V 7.25 3.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 85 A 8.38 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.52 4.30 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 0.58 0.00 0.00 87 P 0.00 4.23 0.00 2.21 2.27 0.00 3.61 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 88 I 7.55 3.52 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 1.22 0.78 0.00 0.00 89 W 7.96 4.40 0.00 3.54 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 90 D 8.18 4.46 0.00 2.85 2.75 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 91 V 7.63 3.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.89 0.00 0.00 92 Y 8.21 4.44 0.00 3.21 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.31 4.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.27 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 0.00 0.00 0.00 95 L 7.80 4.10 0.00 1.89 1.81 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.11 3.91 2.05 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 1.42 0.76 0.94 0.00 0.00 97 K 8.47 4.02 0.00 1.97 2.06 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 98 E 7.88 4.22 0.00 2.02 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 2.35 2.62 0.00 99 H 7.63 4.73 0.00 3.17 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.47 4.69 0.00 2.73 2.49 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 0.00 101 E 9.20 4.04 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 102 R 8.60 4.12 0.00 2.03 2.02 0.00 3.24 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 103 G 7.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.78 3.98 1.34 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 0.00 105 D 7.99 4.46 0.00 2.88 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 0.00 106 A 8.12 4.58 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 0.00 107 I 7.62 4.71 1.92 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 0.67 0.81 0.00 0.00 108 G 8.68 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.26 5.28 0.00 3.72 3.61 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 0.00 110 L 8.68 4.92 0.00 1.73 1.67 0.86 0.75 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 0.00 111 E 8.99 4.04 0.00 2.02 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 2.47 2.35 0.00 112 R 8.86 3.63 0.00 1.84 1.84 0.00 3.12 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.07 0.00 113 F 8.63 4.19 0.00 3.34 3.24 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 0.00 114 A 8.65 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 3.93 0.00 3.24 3.06 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 0.00 116 Y 7.95 4.67 0.00 3.32 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 E 8.22 4.07 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 118 Q 8.39 4.05 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 119 A 8.42 3.98 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 0.00 0.00 120 K 7.87 4.33 0.00 2.02 1.92 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.62 7.81 121 N 7.87 4.67 0.00 2.85 2.86 0.00 0.00 6.94 6.71 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 0.00 122 A 7.27 4.23 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 0.00 123 Y 8.97 4.24 0.00 3.13 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 0.00 124 C 8.02 5.16 0.00 3.05 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 0.00 125 V 8.83 4.68 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 1.00 0.00 0.00 0.99 0.00 0.00 126 I 9.10 4.67 1.81 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 1.13 0.56 0.89 0.00 0.00 127 A 8.99 4.73 1.26 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 0.00 0.00 128 S 8.78 4.36 0.00 4.11 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 0.00 129 G 8.48 4.52 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 0.00 0.00 0.00 130 E 8.41 4.21 0.00 2.25 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 2.39 2.36 0.00 131 S 8.91 4.37 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.95 4.14 1.28 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 0.00 133 Q 8.39 4.13 0.00 2.04 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 134 Y 7.67 3.64 0.00 3.23 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.26 4.93 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 0.00 136 N 8.06 4.75 0.00 2.11 2.54 0.00 0.00 6.72 7.85 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 0.00 137 L 8.92 4.92 0.00 1.45 1.18 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.94 4.70 1.73 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 0.87 0.09 0.83 0.00 0.00 139 L 8.98 5.20 0.00 1.24 1.55 0.55 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.97 5.16 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 141 K 9.22 3.74 0.00 1.42 1.61 0.00 1.31 0.00 0.00 1.42 0.00 0.00 2.61 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.03 0.36 7.81 142 G 8.20 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 0.00 143 V 8.17 4.02 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 0.77 0.00 0.00 0.53 0.00 0.00 144 V 8.01 3.90 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 0.81 0.00 0.00 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.