NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 R 4.4052 8.2549 120.9744 56.7158 31.4845 174.3692 21 V 4.2135 8.0409 114.3354 58.8147 35.4595 173.5905 22 Y 5.8189 8.1252 122.2705 57.6692 39.8829 174.4364 23 V 4.3826 8.2207 121.5978 60.7073 35.1706 174.0061 24 D 4.9047 8.5068 127.4919 53.3585 41.8177 177.2526 25 V 3.6575 8.7072 125.4292 64.9504 31.7896 176.9586 26 R 3.9727 8.5513 120.5328 60.0365 30.2416 177.6721 27 E 4.5585 8.1667 114.7760 55.7879 29.6054 178.8238 28 E 4.6833 8.0495 119.0889 56.8025 30.1709 176.8279 29 R 4.6191 7.7922 114.1334 56.3225 33.8986 178.9156 30 S 4.5618 7.8440 112.3339 57.9270 62.9750 178.1794 31 P 4.4356 0.0000 0.0000 66.1690 30.7079 178.3182 32 V 3.7670 7.7625 118.8651 64.7180 32.4197 176.6293 33 P 4.4050 0.0000 0.0000 65.3706 31.7812 178.4289 34 S 4.2519 8.1738 112.1260 60.6143 62.7985 175.4400 35 I 4.1873 8.8664 125.3240 62.9712 37.4597 178.1420 *36 L 4.2953 8.0310 126.7046 59.8930 40.8916 184.7506 37 E 4.4364 8.1209 116.1339 59.5728 29.9432 179.7215 38 S 4.8432 7.7449 115.6814 61.6562 63.4694 176.4809 39 L 4.2128 7.4012 121.2396 56.8569 40.3361 180.1321 40 G 4.4632 8.0207 112.3624 46.4481 0.0000 174.9831 41 V 3.9826 7.4300 120.6434 62.2452 32.8468 175.9560 42 Q 4.3078 8.4078 126.7901 55.4782 29.8742 172.9607 43 V 4.3859 8.3863 121.1686 61.6884 32.4944 174.0615 44 I 4.6371 8.4894 129.1467 58.8006 39.0591 173.9615 45 P 5.4544 0.0000 0.0000 62.7603 32.5261 175.8469 46 K 4.1706 7.8245 120.9399 54.6660 35.8299 176.1013 47 Q 4.3926 8.4682 120.5318 55.4064 26.9640 174.2856 48 L 4.0111 7.9943 122.7448 53.9919 42.5833 176.1356 49 P 4.4483 0.0000 0.0000 65.4906 31.2934 175.3956 50 M 4.5391 7.6471 115.7375 54.9775 36.2509 174.8333 51 G 4.0315 8.4588 110.2347 44.9650 0.0000 172.7116 52 D 4.7599 8.3937 115.9206 54.9879 43.2124 176.5836 53 Y 5.1253 8.5971 115.1183 56.0586 42.1252 174.4576 54 L 4.9807 8.7892 123.7053 53.9534 45.0619 176.5649 55 V 4.1203 8.2533 118.5301 64.1239 37.0058 174.1084 56 S 4.5647 7.7553 113.7317 57.8023 65.8493 175.4714 57 D 4.5313 8.9385 121.2964 56.3185 39.6661 175.5824 58 S 4.9365 8.2297 112.0749 58.0492 63.4957 177.4717 59 I 5.1379 8.0061 123.5885 61.6184 40.4721 174.8944 60 I 4.6960 8.3529 126.8073 58.4633 38.8771 171.4972 61 V 4.9542 8.7421 124.4572 60.8246 34.5970 173.7560 62 E 4.9543 9.4601 128.8849 54.3885 32.1137 174.6311 63 R 4.5781 8.8523 129.7809 56.5137 31.2829 177.2067 64 K 4.6147 8.8108 128.4308 53.4827 35.1167 173.7281 65 T 4.1212 8.8125 117.0885 61.9256 68.5803 175.0599 66 S 3.9544 9.2815 125.9929 62.5757 62.8522 177.0357 67 S 4.2027 8.1630 121.5672 63.7191 62.0412 179.1625 68 D 4.6273 8.7776 122.2888 56.4905 40.4803 178.5474 69 F 3.8777 8.3577 120.3574 61.7693 39.3682 176.4334 70 A 3.8755 7.9631 121.9427 55.2044 17.9265 179.9621 71 K 3.9626 7.7035 120.5276 60.1824 31.9675 181.1905 72 S 4.4281 8.1114 117.4500 61.2371 62.4194 177.2889 73 L 3.9555 7.7011 128.6184 59.7882 40.8004 183.5669 *74 F 4.7650 7.5927 115.2944 56.6392 38.2137 177.9055 75 D 4.5390 8.9110 121.4430 58.4374 40.5851 175.3084 76 G 3.5667 8.5129 114.5236 44.5084 0.0000 178.5250 77 R 2.8589 7.3329 112.3894 53.6694 31.6519 182.1936 78 L 3.0375 6.5627 113.4732 56.3338 44.2636 178.2514 79 F 3.7804 8.4038 119.0931 61.0580 39.4012 178.4472 80 E 4.2292 9.0531 120.1613 60.4021 29.2921 181.2023 81 Q 4.4579 8.0837 116.4965 57.3407 28.9601 176.8252 82 A 4.2259 7.7579 122.3031 52.9140 19.7249 179.2602 83 S 4.3914 8.2139 116.8905 62.3464 62.9144 177.1047 84 R 4.1036 7.6408 121.4381 61.8201 29.2819 180.0160 85 L 4.4615 7.5448 119.4254 57.8737 41.6290 179.8170 86 A 4.3003 7.8138 122.4254 55.7019 18.3399 179.7245 87 E 4.2179 8.3252 112.7926 59.7401 29.6345 178.8368 88 H 4.7758 8.3457 113.5694 56.2700 31.8235 173.3692 89 Y 4.8799 7.5933 114.9603 55.6846 41.3362 175.0114 90 E 4.2069 9.2798 122.8698 59.0283 30.5760 177.3074 91 T 4.6191 8.6405 117.4346 61.3802 71.5316 173.9043 92 V 4.5852 8.2161 125.0784 61.2760 34.6583 174.0115 93 F 5.3753 9.1828 128.3905 55.6815 40.5233 175.1726 94 I 4.9546 8.3817 125.2774 59.7573 39.5609 174.6054 95 I 4.6750 8.4368 128.7251 59.6132 39.4068 174.9242 96 V 4.4009 8.4661 128.0715 60.8356 32.9784 174.1364 97 E 5.1334 8.0172 129.6956 55.5003 30.7983 174.6923 98 G 4.4949 8.3444 113.9722 43.2855 0.0000 171.4534 99 P 4.1418 0.0000 0.0000 63.5726 31.4252 175.6055 100 P 3.8038 0.0000 0.0000 64.4929 31.7691 176.2054 101 V 4.1810 7.3707 122.0127 60.3077 32.2700 173.5561 102 P 4.4779 0.0000 0.0000 62.6069 32.2259 178.5063 103 R 3.8936 8.8376 121.1769 59.5679 29.6503 176.2594 104 R 3.8633 8.2703 116.6782 59.5472 30.1894 177.3884 105 Y 4.4480 8.2512 116.9707 58.5421 37.9130 177.8694 106 R 4.4881 7.7116 119.8647 55.5081 29.4353 178.0667 107 G 4.1560 7.2244 121.1385 46.0521 0.0000 173.1765 108 R 4.3534 7.3262 116.3488 54.8127 28.6964 177.0818 109 E 4.3051 8.0958 123.8785 59.3884 30.2235 178.6620 110 R 4.1440 8.1172 118.3070 58.4598 29.9609 178.6736 111 S 4.3349 7.9680 114.7560 61.1702 63.3349 175.9467 112 L 3.9172 7.2918 121.5915 58.2375 41.2300 179.3916 113 Y 4.1733 7.9212 115.3791 60.6828 38.0744 177.4183 114 A 4.0755 7.7612 120.4242 55.4682 18.2970 179.6580 115 A 4.1370 8.5404 119.0984 55.6981 18.5465 179.2871 116 M 3.9020 7.6978 115.4515 59.1048 32.0363 179.1929 117 A 4.0945 8.6645 120.4015 54.8963 18.3942 179.5266 118 A 4.0395 8.3207 119.8837 55.5341 18.5160 179.6085 119 L 3.6026 8.5448 117.4905 58.5469 41.6009 179.5084 120 Q 4.5419 7.9433 119.4011 57.9654 28.4329 178.3643 121 L 3.9948 7.8509 120.5705 58.3581 42.0711 179.3860 122 D 4.6004 8.4933 117.4614 56.6285 41.1960 176.9266 123 Y 4.4406 8.1296 114.6690 56.8641 38.9364 178.0760 124 G 4.0750 7.7918 109.7789 46.4017 0.0000 174.4530 125 I 3.3767 7.4786 121.8522 60.1795 37.6106 174.9986 126 R 4.4785 8.6692 126.4837 55.3840 30.5152 172.7860 127 L 4.8907 8.3522 125.0690 53.3384 43.0295 176.2680 128 M 4.9167 9.0567 121.4769 53.7437 36.8516 174.5643 129 N 5.2753 8.5665 117.0216 51.7510 41.0371 174.5049 130 T 4.1917 8.5240 114.8487 61.4706 70.5032 175.5873 131 M 4.1961 8.6398 122.1408 57.9824 33.8307 175.2205 132 D 4.7218 7.6688 115.8687 50.1438 42.8635 173.7194 133 P 5.0583 0.0000 0.0000 66.1107 30.7581 178.9505 134 K 4.0065 8.2118 123.1767 59.5326 31.6373 182.0975 135 G 4.0818 7.9630 106.7312 48.2960 0.0000 175.3013 136 T 3.8087 7.9358 117.9770 66.3390 68.4380 176.4440 137 A 3.7176 8.4035 122.4804 55.0731 18.5355 179.2828 138 L 3.7817 8.4172 118.6250 58.2269 41.6904 179.9072 139 V 3.4851 8.2090 117.9155 66.3868 31.2838 178.1983 140 I 3.4607 7.0206 118.8952 63.9119 36.7589 177.7676 141 E 3.8148 8.4285 120.7498 59.6938 29.5125 179.3200 142 S 4.0696 8.1172 114.8997 61.3898 62.6162 176.6419 143 L 3.8154 7.6941 120.8480 57.6720 41.6841 179.0475 144 A 4.0101 8.5821 121.1864 55.2632 18.1338 179.6949 145 R 3.8212 8.0301 115.5394 59.5145 30.2591 178.4778 146 L 4.2130 7.6859 114.1611 55.6456 41.5697 176.3822 147 S 4.6137 7.6765 115.0529 56.7984 66.1821 174.0798 *164 S 4.2812 8.3138 118.0664 58.3645 63.7972 175.1051 165 D 4.6138 8.6535 125.5362 57.9605 39.5205 178.4583 166 V 4.0578 8.0702 121.0407 66.8432 31.4953 178.6609 167 R 4.1576 7.6445 118.8103 61.6122 29.2129 180.0181 168 E 4.0792 8.1929 119.8339 58.7842 29.6140 178.4670 169 W 4.1709 8.0555 118.5558 60.7237 29.1620 177.8440 170 Q 3.9503 8.5110 116.3798 60.0207 28.2152 179.6891 171 L 3.9735 8.6442 119.8065 58.2297 41.6072 179.3121 172 Y 4.2523 8.4771 119.1727 60.6197 38.9997 177.8029 173 I 4.0088 8.0348 120.7888 64.6490 37.3799 178.5205 174 L 4.2355 8.3626 119.9733 57.6144 41.2689 178.8146 175 Q 4.6872 7.9453 116.8367 56.7687 28.7776 177.7869 176 S 4.2601 7.8918 116.6472 59.9209 63.7089 174.8164 177 F 4.3193 8.0964 120.4713 56.3077 39.4460 173.1979 178 P 4.5417 0.0000 0.0000 63.7432 31.7383 177.0531 179 G 4.1119 8.9134 110.7021 45.8623 0.0000 173.7265 180 I 3.9201 7.7175 121.4843 60.8873 37.2192 176.1240 181 G 4.0917 8.3634 112.4706 42.8534 0.0000 173.5689 182 R 3.9491 8.6771 121.8347 60.5433 29.7626 179.0929 183 R 4.0230 7.9000 119.4315 61.6039 29.5505 180.4366 184 T 4.2123 7.9197 115.4120 66.1751 68.3824 176.5665 185 A 3.8294 8.0949 123.1395 55.0836 18.3761 179.2756 186 E 3.8494 8.0493 117.0579 59.8918 29.7257 179.7138 187 R 3.6993 8.3231 118.1752 59.4857 30.0419 179.1750 188 I 3.7129 7.9662 119.6616 64.3567 36.9993 178.5267 189 L 3.9798 8.0252 122.2057 58.4220 41.2416 179.8683 190 E 4.0051 8.8899 120.5518 61.9244 29.6310 181.6447 191 R 4.1245 7.5876 120.1321 60.8760 29.6580 180.1139 192 F 4.8362 8.2041 116.9593 57.1876 39.4656 176.5121 193 G 4.4251 8.8377 110.8673 45.4809 0.0000 174.3253 194 S 4.7801 7.4539 114.7884 55.4387 67.8975 174.2025 195 L 3.4372 8.5858 123.4827 57.9107 41.3177 179.6863 196 E 4.1378 7.9853 120.6276 60.0712 29.8038 180.0549 197 R 3.9327 7.9185 118.6427 61.6485 29.8030 179.9123 198 F 3.3562 7.9693 121.6342 60.6147 39.0961 177.3562 199 F 4.4466 8.4239 117.0144 60.2796 38.7363 176.9191 200 T 4.2249 7.5056 113.3505 63.4751 68.7936 174.8853 201 A 4.1808 7.1770 124.3787 51.5565 19.3151 177.2440 202 S 4.6257 8.4588 117.0642 57.9553 65.3531 176.1942 203 K 3.9465 8.7551 129.5379 60.7497 31.6596 176.1577 204 A 4.3300 8.0960 120.5538 54.7308 18.4793 178.8275 205 E 4.2435 8.4761 117.1245 59.0141 30.0253 179.8768 206 I 4.2951 7.9639 120.4446 64.2070 37.0361 177.6346 207 S 4.8037 8.4564 116.0426 59.3402 62.9823 175.6607 208 K 4.6063 7.4029 126.1964 55.7875 31.7954 181.0555 209 V 4.2716 7.3078 120.7662 61.5805 32.1484 174.2581 210 E 4.0712 8.8321 128.8562 59.8981 29.3961 175.1242 211 G 4.0483 8.9634 117.6802 46.2290 0.0000 173.2879 212 I 4.0823 8.1130 122.4089 59.9720 36.9437 177.2167 213 G 3.9942 8.4921 116.8529 44.9509 0.0000 172.8893 214 E 4.1303 8.8174 120.7246 61.6956 29.8100 175.5257 215 K 4.3077 7.9999 124.6041 59.7500 31.8192 180.8907 216 R 4.1546 8.1525 118.9830 58.9880 29.6464 178.3838 217 A 4.0913 8.3297 122.3705 56.3732 18.0884 179.7386 218 E 4.0069 8.0746 117.0828 61.8391 29.8473 181.6125 219 E 4.4297 8.0217 118.8995 61.2881 29.6912 181.8271 220 I 4.1541 8.6582 123.5048 64.9174 37.1715 179.2758 221 K 3.9233 9.2818 127.8247 60.3881 31.2786 181.5976 222 K 4.1865 9.0408 125.3183 59.9235 31.4650 181.6328 223 I 3.8616 7.6701 119.9833 64.3711 37.1924 177.9727 224 L 4.0626 7.8547 118.3035 57.4939 41.5895 178.1174 225 M 4.5522 7.4560 114.7343 55.2084 33.7497 176.0764 226 T 4.1733 8.0384 117.3180 61.8599 69.1848 172.9621 227 P 4.4874 0.0000 0.0000 63.0696 31.9155 174.3785 228 Y 4.7713 8.2815 120.8754 56.1782 41.8738 175.9200 229 K 4.1225 7.6274 123.5431 54.6997 31.9168 177.8023 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 20 R 8.25 4.41 0.00 1.61 1.79 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 21 V 8.04 4.21 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 0.59 0.00 0.00 0.94 0.00 0.00 22 Y 8.13 5.82 0.00 2.79 2.73 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 0.00 0.00 0.00 23 V 8.22 4.38 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 0.59 0.00 0.00 0.93 0.00 0.00 24 D 8.51 4.90 0.00 2.67 2.39 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 25 V 8.71 3.66 2.04 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 0.82 0.00 0.00 0.92 0.00 0.00 26 R 8.55 3.97 0.00 1.76 1.95 0.00 3.24 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 27 E 8.17 4.56 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 28 E 8.05 4.68 0.00 1.87 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 2.19 2.26 0.00 29 R 7.79 4.62 0.00 1.81 1.73 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 30 S 7.84 4.56 0.00 3.62 3.70 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 31 P 0.00 4.44 0.00 2.05 2.15 0.00 3.67 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 2.04 2.08 0.00 32 V 7.76 3.77 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 33 P 0.00 4.40 0.00 2.24 2.10 0.00 3.70 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 2.19 2.32 0.00 34 S 8.17 4.25 0.00 4.05 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 35 I 8.87 4.19 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 1.38 0.71 0.89 0.00 0.00 *36 L 8.03 4.30 0.00 1.66 1.66 0.92 0.77 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 37 E 8.12 4.44 0.00 2.06 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 2.23 1.97 0.00 38 S 7.74 4.84 0.00 4.01 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 39 L 7.40 4.21 0.00 1.78 1.55 0.92 0.90 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 40 G 8.02 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 41 V 7.43 3.98 2.04 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 0.76 0.00 0.00 0.90 0.00 0.00 42 Q 8.41 4.31 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 43 V 8.39 4.39 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 1.05 0.00 0.00 1.07 0.00 0.00 44 I 8.49 4.64 2.04 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 1.35 0.57 1.15 0.00 0.00 45 P 0.00 5.45 0.00 2.02 2.01 0.00 3.16 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 46 K 7.82 4.17 0.00 1.41 1.63 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 0.96 7.81 47 Q 8.47 4.39 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 48 L 7.99 4.01 0.00 1.73 1.70 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.45 0.00 2.27 2.21 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 50 M 7.65 4.54 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 51 G 8.46 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.39 4.76 0.00 2.73 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 53 Y 8.60 5.13 0.00 2.87 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 54 L 8.79 4.98 0.00 1.87 1.71 0.92 0.95 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 55 V 8.25 4.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.84 0.00 0.00 56 S 7.76 4.56 0.00 4.12 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 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0.00 0.00 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 66 S 9.28 3.95 0.00 3.92 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 67 S 8.16 4.20 0.00 3.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.78 4.63 0.00 2.70 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 69 F 8.36 3.88 0.00 3.11 3.07 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 70 A 7.96 3.88 0.30 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 71 K 7.70 3.96 0.00 1.77 1.88 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.11 7.81 72 S 8.11 4.43 0.00 3.93 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 73 L 7.70 3.96 0.00 1.76 1.62 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 132 D 7.67 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 0.00 133 P 0.00 5.06 0.00 2.28 2.56 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.89 0.00 134 K 8.21 4.01 0.00 1.81 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.33 7.81 135 G 7.96 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 0.00 136 T 7.94 3.81 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 1.21 0.00 0.00 137 A 8.40 3.72 1.27 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 0.00 0.00 0.00 138 L 8.42 3.78 0.00 1.77 1.72 0.89 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.21 3.49 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 140 I 7.02 3.46 1.56 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.78 0.55 0.00 0.00 141 E 8.43 3.81 0.00 1.91 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 2.26 2.32 0.00 142 S 8.12 4.07 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.69 3.82 0.00 1.56 1.44 0.30 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.58 4.01 1.30 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 0.00 145 R 8.03 3.82 0.00 1.79 1.99 0.00 3.30 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 146 L 7.69 4.21 0.00 1.85 1.69 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.68 4.61 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *164 S 8.31 4.28 0.00 3.70 3.82 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 0.00 165 D 8.65 4.61 0.00 2.68 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 0.00 166 V 8.07 4.06 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 1.03 0.00 0.00 0.99 0.00 0.00 167 R 7.64 4.16 0.00 1.90 1.93 0.00 3.33 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 168 E 8.19 4.08 0.00 1.99 1.79 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 2.16 2.23 0.00 169 W 8.06 4.17 0.00 3.77 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 0.00 170 Q 8.51 3.95 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.84 0.00 171 L 8.64 3.97 0.00 1.89 1.77 0.92 0.64 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 0.00 172 Y 8.48 4.25 0.00 2.78 3.29 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 0.00 173 I 8.03 4.01 2.33 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.23 1.31 0.00 0.00 174 L 8.36 4.24 0.00 1.65 1.58 0.62 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 7.95 4.69 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 176 S 7.89 4.26 0.00 4.14 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 0.00 177 F 8.10 4.32 0.00 3.38 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 0.00 178 P 0.00 4.54 0.00 2.10 2.01 0.00 3.92 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 2.07 2.08 0.00 179 G 8.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 7.72 3.92 2.24 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 1.28 1.12 0.96 0.00 0.00 181 G 8.36 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 R 8.68 3.95 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 183 R 7.90 4.02 0.00 1.86 1.91 0.00 3.31 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.28 0.00 184 T 7.92 4.21 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 1.28 0.00 0.00 185 A 8.09 3.83 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.05 3.85 0.00 2.13 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 2.31 2.63 0.00 187 R 8.32 3.70 0.00 2.01 1.97 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 188 I 7.97 3.71 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 -0.06 0.00 0.00 189 L 8.03 3.98 0.00 1.76 1.67 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.89 4.01 0.00 1.99 1.88 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 2.27 2.21 0.00 191 R 7.59 4.12 0.00 1.95 1.87 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 192 F 8.20 4.84 0.00 3.13 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 0.00 193 G 8.84 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 0.00 194 S 7.45 4.78 0.00 3.84 3.71 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 0.00 195 L 8.59 3.44 0.00 1.55 0.84 1.06 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 196 E 7.99 4.14 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 197 R 7.92 3.93 0.00 1.95 1.84 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 198 F 7.97 3.36 0.00 2.21 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 0.00 199 F 8.42 4.45 0.00 3.14 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 0.00 200 T 7.51 4.22 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 201 A 7.18 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.46 4.63 0.00 4.06 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 0.00 203 K 8.76 3.95 0.00 1.87 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.13 7.81 204 A 8.10 4.33 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 0.00 205 E 8.48 4.24 0.00 2.10 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 2.38 2.42 0.00 206 I 7.96 4.30 1.90 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 1.04 0.00 0.00 207 S 8.46 4.80 0.00 4.04 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 0.00 208 K 7.40 4.61 0.00 2.01 1.72 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.30 7.81 209 V 7.31 4.27 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 0.98 0.00 0.00 1.05 0.00 0.00 210 E 8.83 4.07 0.00 1.96 1.90 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 2.30 2.34 0.00 211 G 8.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.11 4.08 2.14 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 1.31 0.79 1.03 0.00 0.00 213 G 8.49 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 0.00 214 E 8.82 4.13 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 215 K 8.00 4.31 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.10 7.81 216 R 8.15 4.15 0.00 1.93 2.09 0.00 3.37 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 217 A 8.33 4.09 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 0.00 218 E 8.07 4.01 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 219 E 8.02 4.43 0.00 1.94 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 2.27 0.00 220 I 8.66 4.15 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.70 0.97 0.00 0.00 221 K 9.28 3.92 0.00 1.58 1.84 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 222 K 9.04 4.19 0.00 1.63 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.36 7.81 223 I 7.67 3.86 2.06 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 1.49 1.08 0.77 0.00 0.00 224 L 7.85 4.06 0.00 1.76 1.71 0.78 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 225 M 7.46 4.55 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 226 T 8.04 4.17 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 0.00 227 P 0.00 4.49 0.00 2.20 2.10 0.00 3.71 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 2.00 1.97 0.00 228 Y 8.28 4.77 0.00 2.82 2.73 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 0.00 0.00 0.00 229 K 7.63 4.12 0.00 1.81 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.