NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6979 8.2233 120.4822 54.1594 42.1518 174.0125 6 N 4.5646 8.5706 120.7202 52.4402 39.7557 173.0953 7 K 4.5488 9.2520 121.4741 54.4028 36.8337 174.5152 8 L 4.8702 8.2123 124.9369 53.9368 43.7735 174.8605 9 F 5.4573 9.4501 125.7044 55.6860 41.9719 174.2647 10 L 4.4318 8.9886 125.9738 53.6615 43.6220 175.1177 11 V 4.9221 8.7805 126.7995 61.2859 34.5706 173.3161 12 Y 5.3108 9.6403 130.0067 56.3049 40.2876 174.5473 13 V 4.6767 8.7379 126.4884 59.8397 35.1525 174.8367 14 G 3.9908 8.6862 108.7882 44.4057 0.0000 172.7401 15 G 3.4919 7.4798 107.0836 45.8140 0.0000 172.0130 16 T 4.7229 7.7200 113.1955 60.5794 69.6880 173.5700 17 A 4.8261 7.9211 124.7267 49.5399 22.1395 173.9918 18 P 4.4429 0.0000 0.0000 64.1703 31.7572 176.7443 19 G 3.9926 9.0819 111.4505 45.2246 0.0000 173.5325 20 A 4.3300 7.4343 122.2234 51.8670 19.1837 177.2828 21 N 4.5623 8.8025 119.3285 54.6264 39.2246 175.2392 22 I 4.5672 7.2963 109.2230 58.0644 40.3282 174.3444 23 E 4.2851 8.5765 121.5470 56.5602 30.6416 175.5581 24 L 4.9052 9.4099 126.1548 53.5801 45.1960 174.9884 25 H 5.5215 8.7878 116.2702 54.4127 32.6614 172.3605 26 D 5.0848 9.2181 120.4269 52.7623 45.4937 173.7813 27 I 4.8257 8.3493 122.8574 59.8149 38.7232 175.3827 28 R 4.6682 9.0021 126.0329 54.3097 33.6500 174.6425 29 F 5.1572 8.7185 120.6408 56.1729 40.6457 175.6327 30 V 4.8498 9.0282 116.1054 59.6842 36.4793 174.5397 31 V 4.9471 8.6157 122.1776 61.5153 34.1535 174.8423 32 G 4.1002 8.5630 112.9500 45.5003 0.0000 172.4595 33 P 5.0823 0.0000 0.0000 64.1216 31.4007 176.9265 34 S 4.2818 7.1536 115.8847 57.7422 65.9787 176.4225 *36 E 2.6391 8.9589 115.9092 55.6516 30.6613 177.0815 37 E 4.0189 7.3636 115.8293 58.0481 29.7749 177.5050 38 T 4.2597 6.8509 106.7005 62.0893 69.8616 176.2269 39 Y 4.3638 7.5905 121.1477 61.2566 37.9041 176.6282 40 P 4.2326 0.0000 0.0000 65.8022 31.4417 178.5246 41 A 4.0980 7.9794 118.8424 54.8530 18.3212 179.7125 42 I 3.6831 7.8732 118.6394 64.6864 37.0054 178.7061 43 R 3.9725 8.0186 118.0616 59.1792 30.0038 178.9665 44 K 4.2914 8.1494 117.2209 59.2016 32.8712 178.8946 45 G 3.9108 7.8286 105.6847 45.1641 0.0000 173.9422 46 W 4.4970 7.7395 132.0119 57.1800 30.9406 176.0013 47 F 4.1806 8.2224 121.4336 58.7317 38.4220 176.1322 48 G 3.0293 4.0000 112.2518 44.5229 0.0000 172.6978 49 T 4.1217 8.2793 119.5573 63.4756 69.3284 174.9458 50 Q 4.1264 8.8156 125.3922 58.5821 29.1536 176.5454 51 K 4.0912 7.8553 119.3812 57.8477 32.3395 176.5941 52 G 3.8969 8.8514 114.5455 44.7314 0.0000 172.6482 53 L 3.8278 7.4280 122.7188 55.2874 43.0468 175.6331 54 H 4.9644 8.4231 120.9548 53.3998 32.5287 172.1031 55 L 4.3650 8.9360 123.5144 55.5091 42.7591 176.4682 56 D 5.3009 9.6555 125.7891 55.1623 43.3844 176.3467 57 S 5.4744 8.3215 110.6599 57.7076 66.6611 172.9465 58 F 5.8359 8.8194 114.9887 56.0184 41.8706 173.3808 59 V 5.0986 9.3183 118.7726 60.2395 34.7866 173.9708 60 H 4.6345 10.1271 125.7475 56.2330 30.1391 174.3964 61 L 4.7053 8.8284 128.0595 54.0981 41.8991 176.6288 62 H 4.8354 8.8860 117.5426 55.1452 30.4022 172.9366 63 H 5.2847 8.6083 116.7125 54.1033 32.5976 172.9183 64 V 4.4175 8.6463 122.8727 62.5074 34.1518 174.9211 65 D 4.5412 10.2190 127.4244 55.4884 38.6426 174.6461 66 G 3.9277 8.5635 105.0289 45.0688 0.0000 172.4758 67 Y 5.1501 8.1242 118.3885 55.9703 40.4118 175.1365 68 R 4.3381 9.5848 126.3852 56.1266 31.6461 175.0523 69 I 4.5232 8.2904 127.5478 60.7740 38.1959 174.9225 70 H 5.0075 9.4090 124.6151 53.9213 31.9684 173.6259 71 L 5.2160 8.5771 120.9204 53.3901 44.2844 175.8712 72 T 4.8539 8.6787 113.8945 59.8750 71.8352 175.4971 73 S 4.5502 8.9620 118.1696 60.2825 63.3988 174.1310 74 E 4.6649 7.9990 117.7905 54.3250 32.7080 175.1233 75 A 4.2510 7.5494 123.4980 50.0216 21.3795 175.7016 *79 P 4.2036 0.0000 0.0000 62.5651 32.5681 175.4898 80 E 4.4857 8.0929 119.8053 55.3831 30.7844 175.3606 81 E 4.1199 8.9785 126.3756 59.0018 29.9504 176.7168 82 K 5.0192 7.7350 115.6916 54.7407 34.8690 175.7608 83 R 4.6597 8.9023 121.0578 54.1833 35.1392 174.4504 84 L 4.6548 8.1423 120.9056 55.0268 43.2078 175.6728 85 Y 4.9707 9.0533 120.6991 56.1820 41.7744 174.1142 86 F 5.0794 9.4082 127.8900 57.2243 41.3023 174.3612 87 V 4.1451 8.2540 126.3946 60.9269 33.8590 173.3755 88 N 4.8168 8.0562 126.9381 51.9899 40.5331 173.9644 89 F 4.8733 8.7992 125.5336 56.3840 40.0829 176.2865 90 G 4.0156 8.3423 108.8461 44.2063 0.0000 172.7894 *101 Y 4.6361 7.5006 113.8338 58.4926 39.1443 174.8650 102 H 4.6138 8.8067 122.7999 57.1221 32.5097 173.3543 103 D 5.1617 8.2472 116.7157 53.6254 40.4669 175.6679 104 F 5.3224 7.6747 112.9859 56.7069 41.1138 172.8286 105 T 4.7501 8.6172 112.8321 60.9662 71.3620 172.0922 106 V 5.0554 8.5485 124.7418 61.3420 33.6900 174.8959 107 V 4.8481 8.9884 120.0039 59.6630 36.4252 174.3159 108 V 4.8548 8.3027 121.8093 61.3948 32.8216 174.6449 109 A 4.8014 8.9735 128.4639 50.8933 22.6858 176.3908 110 D 4.6336 9.0235 117.8334 54.5110 40.5186 177.4294 111 S 4.7389 7.7762 113.0516 54.9506 67.5226 172.9681 112 P 3.5438 0.0000 0.0000 65.7875 31.1234 179.0870 113 Q 3.9300 7.8040 116.6122 58.8411 28.7900 178.5695 114 S 4.1575 8.0288 114.9108 60.8154 63.0744 176.5069 115 A 3.8402 7.5518 124.7920 54.9520 18.1800 179.6391 116 K 3.8295 7.7969 117.0354 59.6678 31.7135 179.6035 117 Q 4.0126 7.9258 117.9475 59.0863 28.4471 178.9448 118 L 4.1080 7.8226 118.4707 57.6588 41.7746 179.1424 119 A 4.2637 8.2770 120.9640 55.2085 17.8220 179.9346 120 R 4.0175 8.1457 116.0621 59.1282 29.9421 178.5479 121 A 3.9996 7.5855 117.4364 53.8447 18.5985 178.5360 122 Q 4.1105 7.7940 116.3482 58.4726 29.1906 177.8266 123 F 4.2638 7.7481 119.9092 60.5242 39.6471 175.8017 124 S 4.2033 7.8392 109.6565 59.1416 66.6113 174.2750 *142 V 3.7630 7.6231 119.4179 62.5014 31.7140 173.7752 143 D 5.0417 8.5331 125.7069 52.4170 44.4036 174.3675 144 D 5.1659 7.9717 119.9620 52.6846 43.7454 174.5820 145 C 5.2809 8.6042 118.7508 56.3831 33.2877 172.7035 146 L 4.8564 9.4876 122.4241 53.4513 45.0620 174.6875 147 C 4.2149 8.7062 126.3227 58.5424 32.1107 174.0904 148 V 3.8722 8.0121 129.6869 61.2514 28.6051 174.3904 149 D 4.7153 8.0230 123.2883 52.4598 41.8515 176.7596 150 L 4.8090 7.5857 120.4513 52.7895 44.5455 175.4692 151 V 4.2216 8.4445 125.1348 62.5997 34.6109 174.7096 152 D 4.3177 9.7405 128.2513 55.8512 38.2647 173.5484 153 N 4.1071 8.0818 109.4142 54.1956 36.8714 173.9590 154 H 5.1080 8.0546 115.7049 54.2362 31.9581 172.9467 155 Y 4.7940 9.2039 120.6785 57.0944 39.7415 174.7058 156 V 4.6781 8.6795 124.8814 61.8953 32.5608 175.0898 157 T 4.9072 8.7391 118.3250 59.8765 71.8632 172.8423 158 L 5.3699 8.7755 123.3304 53.0824 44.2837 175.4921 159 E 4.7986 9.2982 124.1126 54.0986 32.5545 174.4861 160 F 4.5816 9.1790 130.2624 58.3460 39.6188 174.1200 161 D 4.4234 7.8625 123.2584 51.9953 40.6518 176.6891 162 G 3.5074 7.2628 107.4932 45.4050 0.0000 173.9648 163 E 4.0582 7.7862 119.5532 56.0824 30.1261 176.0429 164 Q 4.6884 8.1977 120.4885 54.4037 31.4231 175.2139 165 Q 4.4507 8.2187 120.5023 53.8788 31.7946 172.6997 166 P 4.4142 0.0000 0.0000 62.7787 32.1704 177.0269 167 L 4.5017 8.2461 124.7144 53.8673 40.4919 175.6374 168 V 4.3504 7.3490 113.3534 57.8405 35.9452 173.9756 169 P 4.3967 0.0000 0.0000 62.9671 31.6556 176.7415 170 D 4.4883 8.5886 122.7172 56.7652 41.1182 176.7637 171 W 5.0511 7.1853 126.7322 55.6546 33.7026 173.1270 172 K 4.1700 7.7119 121.8635 54.0149 36.0611 177.6680 173 G 3.7924 6.6758 109.0705 46.1426 0.0000 173.8909 174 Y 4.8962 8.5471 130.3436 56.3759 40.9833 173.9490 175 Q 4.4796 9.3808 129.5965 53.3214 31.5643 172.5737 176 P 4.5004 0.0000 0.0000 62.3938 32.1367 176.4685 177 L 3.7687 8.1004 124.4369 53.3374 42.1854 175.5677 178 P 4.4151 0.0000 0.0000 62.3172 32.2429 176.3849 179 E 3.8998 8.5776 119.3101 58.4459 29.6918 177.5822 180 G 4.0146 8.1495 110.8062 45.6490 0.0000 173.0017 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 4.70 0.00 2.62 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 6 N 8.57 4.56 0.00 2.63 2.64 0.00 0.00 6.96 6.73 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 7 K 9.25 4.55 0.00 1.29 0.82 0.00 1.65 0.00 0.00 1.13 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.05 1.21 7.81 8 L 8.21 4.87 0.00 1.76 1.69 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.45 5.46 0.00 3.00 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 10 L 8.99 4.43 0.00 1.61 1.58 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.78 4.92 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 0.85 0.00 0.00 0.96 0.00 0.00 12 Y 9.64 5.31 0.00 3.10 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 13 V 8.74 4.68 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.75 0.00 0.00 14 G 8.69 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 15 G 7.48 3.49 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 0.00 0.00 0.00 16 T 7.72 4.72 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 1.25 0.00 0.00 17 A 7.92 4.83 1.17 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 0.00 0.00 0.00 18 P 0.00 4.44 0.00 2.05 2.02 0.00 3.64 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 2.01 2.08 0.00 19 G 9.08 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 A 7.43 4.33 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 21 N 8.80 4.56 0.00 2.76 2.91 0.00 0.00 6.81 7.45 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 22 I 7.30 4.57 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.95 0.00 0.00 23 E 8.58 4.29 0.00 2.19 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 2.47 2.63 0.00 24 L 9.41 4.91 0.00 1.94 1.82 1.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.79 5.52 0.00 3.04 2.65 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.22 5.08 0.00 3.15 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 27 I 8.35 4.83 1.49 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 1.45 0.77 0.02 0.00 0.00 28 R 9.00 4.67 0.00 1.61 1.80 0.00 3.32 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 29 F 8.72 5.16 0.00 2.85 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 30 V 9.03 4.85 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 0.70 0.00 0.00 1.00 0.00 0.00 31 V 8.62 4.95 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 0.55 0.00 0.00 1.00 0.00 0.00 32 G 8.56 4.10 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 0.00 33 P 0.00 5.08 0.00 2.04 2.12 0.00 3.71 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 34 S 7.15 4.28 0.00 3.81 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 *36 E 8.96 2.64 0.00 1.70 1.62 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 1.83 1.97 0.00 37 E 7.36 4.02 0.00 1.96 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 2.25 2.10 0.00 38 T 6.85 4.26 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 1.16 0.00 0.00 39 Y 7.59 4.36 0.00 2.94 2.86 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 40 P 0.00 4.23 0.00 2.16 2.12 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 41 A 7.98 4.10 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 42 I 7.87 3.68 2.03 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 1.52 0.72 0.81 0.00 0.00 43 R 8.02 3.97 0.00 1.91 2.18 0.00 3.08 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 44 K 8.15 4.29 0.00 1.95 2.10 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 45 G 7.83 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 W 7.74 4.50 0.00 3.34 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 47 F 8.22 4.18 0.00 2.96 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 48 G 4.00 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 0.00 0.00 0.00 49 T 8.28 4.12 4.40 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 1.26 0.00 0.00 50 Q 8.82 4.13 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.09 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 51 K 7.86 4.09 0.00 1.70 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.42 7.81 52 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 53 L 7.43 3.83 0.00 1.46 1.27 -0.62 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.42 4.96 0.00 2.58 2.77 0.00 5.51 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 L 8.94 4.36 0.00 1.81 1.68 0.84 1.28 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 56 D 9.66 5.30 0.00 2.92 2.91 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 57 S 8.32 5.47 0.00 4.06 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 58 F 8.82 5.84 0.00 3.33 3.34 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 59 V 9.32 5.10 2.45 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 1.04 0.00 0.00 1.16 0.00 0.00 60 H 10.13 4.63 0.00 3.17 3.53 0.00 5.76 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 61 L 8.83 4.71 0.00 1.77 1.64 1.18 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.89 4.84 0.00 3.21 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.61 5.28 0.00 3.12 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.65 4.42 2.19 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 1.25 0.00 0.00 1.03 0.00 0.00 65 D 10.22 4.54 0.00 3.08 2.91 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 66 G 8.56 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 67 Y 8.12 5.15 0.00 3.10 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 68 R 9.58 4.34 0.00 1.97 1.79 0.00 2.89 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 69 I 8.29 4.52 1.84 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 1.25 0.70 0.91 0.00 0.00 70 H 9.41 5.01 0.00 3.19 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.58 5.22 0.00 1.48 1.58 0.88 0.81 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 72 T 8.68 4.85 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 1.25 0.00 0.00 73 S 8.96 4.55 0.00 3.92 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 74 E 8.00 4.66 0.00 1.87 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 75 A 7.55 4.25 0.39 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 *79 P 0.00 4.20 0.00 2.20 2.18 0.00 3.70 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 80 E 8.09 4.49 0.00 1.91 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 2.20 2.45 0.00 81 E 8.98 4.12 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 82 K 7.74 5.02 0.00 1.42 1.47 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.36 7.81 83 R 8.90 4.66 0.00 1.55 1.31 0.00 2.99 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 84 L 8.14 4.65 0.00 1.60 1.44 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.05 4.97 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.41 5.08 0.00 3.19 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 87 V 8.25 4.15 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.82 0.00 0.00 88 N 8.06 4.82 0.00 2.76 2.59 0.00 0.00 6.76 7.15 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 89 F 8.80 4.87 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 90 G 8.34 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 *101 Y 7.50 4.64 0.00 2.92 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 0.00 0.00 0.00 102 H 8.81 4.61 0.00 3.04 3.29 0.00 5.91 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.25 5.16 0.00 2.98 3.05 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 0.00 104 F 7.67 5.32 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.62 4.75 4.35 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 1.25 0.00 0.00 106 V 8.55 5.06 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 1.44 0.00 0.00 107 V 8.99 4.85 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 0.74 0.00 0.00 1.04 0.00 0.00 108 V 8.30 4.85 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 0.19 0.00 0.00 0.94 0.00 0.00 109 A 8.97 4.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.02 4.63 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.78 4.74 0.00 3.99 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 0.00 112 P 0.00 3.54 0.00 2.10 2.10 0.00 3.55 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 113 Q 7.80 3.93 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 114 S 8.03 4.16 0.00 4.02 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 0.00 115 A 7.55 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.80 3.83 0.00 1.94 1.83 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.53 7.81 117 Q 7.93 4.01 0.00 2.27 2.14 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 2.37 2.53 0.00 118 L 7.82 4.11 0.00 1.85 1.77 0.98 0.64 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 0.00 119 A 8.28 4.26 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 0.00 120 R 8.15 4.02 0.00 2.13 2.04 0.00 3.23 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 121 A 7.59 4.00 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 0.00 122 Q 7.79 4.11 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 123 F 7.75 4.26 0.00 2.58 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.84 4.20 0.00 3.93 3.76 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 *142 V 7.62 3.76 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 0.82 0.00 0.00 0.93 0.00 0.00 143 D 8.53 5.04 0.00 2.63 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 0.00 144 D 7.97 5.17 0.00 2.74 2.47 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 0.00 145 C 8.60 5.28 0.00 3.06 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 0.00 146 L 9.49 4.86 0.00 1.88 1.76 0.94 0.94 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 0.00 147 C 8.71 4.21 0.00 2.97 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 0.00 148 V 8.01 3.87 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 0.20 0.00 0.00 0.20 0.00 0.00 149 D 8.02 4.72 0.00 2.83 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 0.00 150 L 7.59 4.81 0.00 1.39 1.38 0.72 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.44 4.22 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 1.11 0.00 0.00 0.86 0.00 0.00 152 D 9.74 4.32 0.00 2.85 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 0.00 153 N 8.08 4.11 0.00 2.81 2.80 0.00 0.00 7.04 8.16 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 0.00 154 H 8.05 5.11 0.00 3.24 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.20 4.79 0.00 2.97 2.86 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 0.00 156 V 8.68 4.68 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 0.75 0.00 0.00 0.89 0.00 0.00 157 T 8.74 4.91 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 1.23 0.00 0.00 158 L 8.78 5.37 0.00 1.56 1.76 0.72 0.78 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 0.00 159 E 9.30 4.80 0.00 2.09 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 2.27 2.29 0.00 160 F 9.18 4.58 0.00 2.67 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 0.00 161 D 7.86 4.42 0.00 2.55 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 0.00 162 G 7.26 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 7.79 4.06 0.00 1.81 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 2.19 2.12 0.00 164 Q 8.20 4.69 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 165 Q 8.22 4.45 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 166 P 0.00 4.41 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 167 L 8.25 4.50 0.00 1.71 1.73 1.06 1.22 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 0.00 168 V 7.35 4.35 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 0.75 0.00 0.00 0.89 0.00 0.00 169 P 0.00 4.40 0.00 1.76 1.91 0.00 3.26 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.00 170 D 8.59 4.49 0.00 2.47 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 0.00 171 W 7.19 5.05 0.00 3.09 2.24 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 0.00 172 K 7.71 4.17 0.00 1.49 1.39 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.63 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.99 1.06 7.81 173 G 6.68 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 0.00 174 Y 8.55 4.90 0.00 2.93 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 0.00 175 Q 9.38 4.48 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.76 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 176 P 0.00 4.50 0.00 1.88 1.86 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 177 L 8.10 3.77 0.00 1.28 1.17 0.45 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.42 0.00 2.15 2.02 0.00 3.13 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 1.98 2.06 0.00 179 E 8.58 3.90 0.00 1.95 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 2.27 2.23 0.00 180 G 8.15 4.01 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.