NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1826 8.1731 122.4798 55.0433 41.8317 174.8085 4 G 3.9158 8.3423 105.7399 44.4221 0.0000 170.9343 5 H 5.0438 9.5314 120.9796 56.2523 31.3569 172.7321 6 I 4.9474 8.9274 126.1447 59.5485 40.9036 174.3198 7 I 4.7006 8.7248 126.5620 59.6206 39.3199 174.6612 8 V 4.6827 8.5889 127.7656 61.4765 32.8278 175.2465 9 T 4.2955 8.9946 125.0670 62.4101 71.1186 174.7259 10 G 4.3013 8.5741 108.8435 46.6848 0.0000 175.5732 11 A 4.0644 8.0200 122.7786 53.7849 18.8459 180.0529 12 G 3.9372 7.8368 103.2147 46.5479 0.0000 174.8937 13 S 4.4067 7.8480 115.6017 57.7846 64.8625 175.0428 14 G 3.7910 8.6547 109.1643 48.1569 0.0000 175.5750 15 L 4.0129 7.8825 122.7281 57.6477 42.2750 178.8172 16 G 4.0877 7.9803 107.0074 47.1699 0.0000 175.5022 17 R 3.9645 8.5597 122.3606 58.6903 30.1661 178.3516 18 A 3.9930 8.1798 120.7572 55.2039 18.2760 179.6562 19 L 3.9185 8.3472 117.7810 58.1497 41.6266 179.6886 20 T 3.8192 7.9787 115.6157 66.7620 68.4632 176.4592 21 I 3.7783 8.1025 121.9803 64.5581 37.2456 178.5431 22 G 3.7470 8.2057 106.3429 47.9505 0.0000 175.6882 23 L 4.0698 7.9012 121.1882 57.6394 41.8688 179.6679 24 V 3.9569 8.0207 119.8086 65.5923 31.1707 177.9486 25 E 4.0659 8.1621 117.5740 59.1417 29.4120 178.6879 26 R 4.2115 7.6517 115.3733 56.7148 30.3156 177.4024 27 G 3.9969 7.7870 107.4237 45.1160 0.0000 174.0203 28 H 4.5282 7.9054 116.7468 55.9245 30.3302 174.4135 29 Q 4.8359 8.2341 118.7619 55.1082 30.7161 175.0370 30 V 4.9704 9.3022 123.6301 61.3789 34.5079 175.6503 31 S 4.2425 9.1967 124.9892 57.6710 65.2626 173.1690 *34 G 3.8912 8.2677 108.8950 46.0525 0.0000 173.3536 35 R 4.1493 8.3300 116.1504 57.4650 31.0972 177.9885 36 R 4.3075 7.7167 117.4842 55.1792 29.7545 176.2656 37 Y 4.2036 8.4245 124.0295 59.9206 38.3032 177.9270 38 Q 3.7688 6.8223 119.4405 58.3773 28.7864 178.4679 39 R 4.0659 7.5612 120.0132 58.7455 30.1912 178.7154 40 L 3.9292 7.6309 118.1423 58.0122 41.7240 179.7366 41 Q 4.1323 8.0403 117.7265 58.9803 28.7786 178.7012 42 Q 3.9644 8.3977 119.4029 59.3484 28.3135 179.2435 43 Q 4.1044 8.1999 118.8040 58.8961 28.6792 178.7439 44 E 3.9732 8.3348 119.8174 59.4415 29.2617 179.4093 45 L 4.0560 7.6382 117.7598 57.4484 41.7257 178.9063 46 L 4.1384 7.8660 119.7845 56.9736 42.2937 177.8105 47 L 4.6093 8.1199 116.8476 53.2815 43.2810 177.5879 48 G 3.8696 8.6695 108.2807 46.6570 0.0000 176.9664 49 N 4.5502 8.9547 120.9245 55.1772 38.7326 175.6022 50 A 5.2139 7.7099 119.0749 53.1850 18.9653 177.0793 51 V 5.5649 7.4762 107.7159 58.3817 35.8239 175.0020 52 I 4.0579 7.3275 121.4994 58.9335 40.8195 174.5907 53 G 3.8825 8.7206 116.1985 45.2243 0.0000 172.8048 54 I 4.5077 8.1043 126.7093 59.2824 39.5104 175.4323 55 V 4.2421 8.4204 127.5303 62.3866 32.3847 175.2324 56 A 4.5434 8.6220 127.8010 51.3349 22.8138 175.6453 57 D 4.5570 9.6566 124.1025 52.9395 40.5759 176.5518 58 L 4.3764 8.4070 124.3382 55.5767 41.5605 178.6752 59 A 4.2363 8.0007 121.7250 53.1613 19.5553 177.8108 60 H 4.7782 8.1646 114.6278 54.3664 30.0391 174.8525 61 H 3.9982 8.9109 126.3542 59.6975 29.7823 176.4608 62 E 3.9843 8.2356 119.4933 59.6082 29.3371 178.9557 63 D 4.4164 8.1106 118.4601 57.1414 41.0234 178.9352 64 V 3.7250 7.8147 118.8804 66.0740 31.6245 177.7817 65 D 4.3731 8.2113 118.6938 57.5758 40.7300 179.0237 66 V 3.6401 7.7953 118.1741 65.8832 31.4699 177.9294 67 A 3.9524 8.3042 120.6549 55.2794 18.2859 179.6375 68 F 4.0051 8.4412 115.6161 60.0174 39.0083 178.0616 69 A 4.0121 8.2735 120.4476 55.2257 18.2552 179.4649 70 A 3.9929 8.0751 119.0363 55.1828 18.4350 179.7047 71 A 3.9786 8.0807 119.1676 55.5261 18.4520 180.1485 72 V 3.9838 8.3227 118.4999 65.6921 31.3752 178.0909 73 E 3.9995 8.5925 118.1139 58.9178 29.3129 178.8015 74 W 4.4995 8.2469 127.9568 59.3938 31.0341 176.9274 75 G 3.2573 8.0195 103.1958 43.9810 0.0000 173.1504 76 G 3.8617 8.2832 108.5388 44.1351 0.0000 172.8953 77 L 4.1794 8.1721 118.4092 54.0398 42.0268 175.9491 78 P 4.6525 0.0000 0.0000 62.7696 32.2667 176.0462 79 E 4.3568 9.1921 118.4567 58.1172 31.4354 175.8757 80 L 5.0430 7.6628 122.0025 53.6435 46.0278 174.1747 81 V 4.7224 8.9395 126.6169 61.1320 33.8804 173.8984 82 L 4.9377 9.3851 131.3365 53.8186 44.0634 174.3858 83 H 4.9207 9.3994 128.3886 55.0553 31.4739 173.4952 84 C 4.6981 7.9069 124.8174 58.1430 27.6768 174.1345 85 A 3.7852 8.1796 124.0328 55.0713 18.2367 180.1871 86 G 3.8341 7.9770 100.1637 46.1079 0.0000 173.6851 87 T 4.3334 7.3547 115.3131 62.5301 69.6059 174.2037 88 G 3.9394 7.9468 111.3478 43.6448 0.0000 170.9879 89 E 4.2843 7.9542 120.4382 56.6254 30.0148 176.5793 90 F 4.6813 7.8258 114.5354 58.2983 40.1786 175.1368 *96 Y 4.6845 7.5098 118.5613 57.0900 38.8910 174.4724 97 T 4.7086 8.2573 110.6650 59.8038 71.8317 174.3708 98 A 4.1598 8.5500 125.8080 55.3640 19.0304 179.9929 99 E 3.9754 8.2150 112.1348 59.6258 29.9980 178.9229 100 Q 4.1542 7.9986 118.5966 58.5323 28.8840 178.3663 101 I 3.8063 7.7740 120.3097 63.7810 36.9412 178.4085 102 R 3.9576 7.5899 116.7070 58.2996 29.3089 178.5421 103 R 4.0708 8.1333 118.0219 59.4708 29.3355 179.1821 104 V 4.0236 7.2437 119.2660 62.5880 31.6732 177.7117 *106 E 4.3106 8.3010 120.0045 55.7862 31.5757 178.2362 107 S 4.1468 8.1508 113.9992 61.7564 62.6206 176.2803 108 N 4.2862 8.2653 119.8376 56.1071 38.2672 177.0595 109 L 3.8541 7.7165 120.7962 58.1940 42.3920 179.0128 110 V 3.4807 8.0735 118.8654 66.0950 31.3386 178.1536 111 S 4.8525 7.8205 114.7428 61.1656 62.7904 176.7131 112 T 3.6606 7.7435 119.2735 66.4138 68.2745 176.6510 113 I 2.9904 7.6408 121.9375 64.1729 37.0690 178.5580 114 L 3.9092 8.1255 120.0196 57.8264 41.4481 179.7196 115 V 3.4854 7.9931 118.2279 65.8839 31.4123 177.9130 116 A 4.0132 8.0217 120.4889 55.3530 18.4088 179.7141 117 Q 3.9625 8.2401 116.6272 58.9756 28.7974 178.5327 118 Q 3.7344 7.9636 120.6451 59.3470 28.8806 178.6716 119 T 3.7984 7.8566 116.7380 66.5481 68.5309 176.7385 120 V 3.5520 7.7972 120.1719 66.0014 31.2530 177.9869 121 R 3.8421 7.5342 116.6288 59.5839 30.0518 178.2413 122 L 4.2907 7.6537 117.5236 56.8187 41.9383 177.9554 123 I 4.6564 7.9368 109.3221 60.1742 38.6748 177.2757 124 G 3.6603 8.2864 112.2886 48.9871 0.0000 175.3443 125 E 4.1901 8.1005 118.2551 58.5922 30.2103 177.9130 126 R 3.8270 7.9832 117.8264 58.4579 30.2741 176.4898 127 G 3.8288 7.7575 102.1499 44.5697 0.0000 171.4723 128 G 3.7093 7.5943 102.7315 43.9327 0.0000 171.8220 129 V 4.7101 8.2186 119.8322 60.9956 34.9708 175.4760 130 L 4.9420 9.3415 130.4072 53.6584 43.6879 174.5670 131 A 5.2298 9.3799 129.3727 50.1905 21.6511 174.5139 132 N 5.3236 9.2277 120.3652 51.3532 41.2024 173.9102 133 V 4.2936 8.9252 123.9051 61.6389 33.1399 174.6090 134 L 4.6199 8.1536 130.0547 53.1145 41.3229 176.2049 135 S 4.5739 8.2051 118.8456 58.0460 64.4023 173.7731 136 S 4.6374 8.3711 119.1672 56.5518 65.0323 173.7070 137 A 4.4481 8.3966 126.6440 51.4928 18.4764 177.9315 138 A 4.4156 8.8842 123.6214 51.0309 15.8203 178.2924 139 Q 3.9936 8.4384 120.2655 56.9646 29.1056 179.5981 140 V 3.5287 7.5455 115.3409 63.1276 30.9857 172.3253 141 G 3.8329 7.6877 103.5124 45.7178 0.0000 174.1712 142 K 4.0642 8.3974 117.4868 55.8803 31.0850 176.5759 143 A 4.1759 7.9861 120.1605 55.6904 18.4595 178.7183 144 N 5.0280 7.6826 112.0675 52.9668 39.6229 176.7087 145 E 3.8751 8.1846 121.9307 59.3755 29.6981 178.2150 146 S 4.2371 8.0480 113.9609 61.0550 63.2475 176.0463 147 L 3.6660 7.8177 123.9561 58.2077 41.7284 178.6498 148 Y 4.3787 7.2709 116.7290 61.1959 37.7924 178.1312 149 C 4.2959 8.2960 117.5033 62.8294 28.2217 175.8207 150 A 4.0958 8.0905 122.2990 55.3581 17.7255 179.6324 151 S 4.0344 7.8631 109.9520 61.4852 62.6548 175.8024 152 K 4.0289 8.5073 121.1887 59.4705 32.1722 178.4654 153 W 4.5377 8.9467 119.6956 59.4895 28.9863 178.4885 154 G 3.8137 8.3577 104.4322 46.3917 0.0000 174.6323 *156 R 4.2749 7.9488 122.0506 56.0941 32.2157 177.7823 157 G 3.7747 8.8037 104.8788 47.8918 0.0000 175.2827 158 F 4.2547 8.3596 123.5236 61.1183 39.3054 177.2470 159 L 3.6382 7.9004 117.9754 57.6025 41.5610 179.0979 160 E 3.9739 8.6053 119.0251 59.0603 29.3901 179.3540 161 S 4.0319 7.9391 113.2436 61.2035 62.2785 175.8958 162 L 3.7663 7.5011 122.1409 57.8616 42.0087 178.6106 163 R 3.9382 8.1353 118.6858 59.4786 30.2249 178.2432 164 A 3.9836 7.9093 120.4816 55.2917 18.1523 179.1411 165 E 3.9387 8.0995 116.5337 58.6806 30.0186 178.0353 166 L 4.4926 7.6245 117.0708 54.2920 41.7813 178.0377 167 K 4.0086 7.3947 121.2525 59.0387 32.4759 176.8866 168 D 5.0200 7.9461 117.4576 53.7943 40.6119 176.1592 169 S 4.7389 7.8398 111.9401 55.9015 66.1994 172.9910 170 P 4.3742 0.0000 0.0000 64.2597 31.6615 175.9889 171 L 4.3006 7.2223 119.9277 55.1875 42.4779 176.0928 172 R 4.6586 8.9701 125.9781 54.5516 32.7071 175.1683 173 L 5.0668 8.4692 122.7602 53.1063 43.6752 175.8301 174 V 4.6505 9.0607 124.4753 61.0642 34.4312 173.8220 175 N 5.3195 9.0799 124.7896 51.3494 41.5688 173.4360 176 L 4.8914 8.5268 123.1319 53.2130 45.5074 175.3358 177 Y 4.7199 9.0475 121.5867 55.3110 39.3841 171.1970 178 P 4.7613 0.0000 0.0000 62.1622 32.6447 175.5319 179 S 4.8121 10.1450 122.3647 59.1593 62.4467 172.2730 180 G 3.3599 8.2932 120.3720 45.1741 0.0000 172.4068 181 I 4.0487 7.8421 120.0462 59.7969 38.8962 175.9783 182 R 3.9089 8.4104 123.0462 59.8551 30.9227 176.4484 183 S 4.6079 7.9238 108.6216 56.9395 60.5898 173.0490 184 E 4.0540 8.7012 120.7052 56.3630 28.1418 174.9347 185 F 4.4495 7.7231 128.1448 58.3860 47.9895 174.5692 *197 F 4.3126 8.0134 123.8504 57.7112 41.0206 175.9860 *199 T 4.1571 7.4853 109.8503 61.0165 71.2334 171.9084 200 P 4.2933 0.0000 0.0000 65.7776 31.3786 179.0409 201 E 3.9371 8.0347 116.9949 59.4863 29.7243 178.7772 202 D 4.2396 8.3413 118.8911 57.1654 40.6450 178.7148 203 A 4.1384 7.9097 119.9038 55.1826 18.5265 179.1516 204 A 4.0743 8.0339 117.8320 55.2267 18.7557 179.1393 205 A 4.1263 7.8259 119.1240 55.6699 18.3959 180.1744 206 Y 4.0685 7.4564 110.6168 59.3419 37.5024 178.2649 *208 L 4.3216 7.8790 122.5858 54.9975 44.2133 178.9447 209 D 4.4237 8.2343 118.1995 57.3712 40.8681 178.7313 210 A 4.1195 7.8868 120.5208 54.6842 18.4433 178.2681 211 L 4.3205 7.2928 112.6182 55.5473 42.1835 177.2870 212 E 3.9929 7.6860 118.7767 56.4337 29.8620 176.5614 213 A 4.4247 8.3894 126.1198 51.6936 19.6975 176.6115 214 R 4.8026 8.0355 118.9173 54.3789 34.5932 176.0396 215 S 4.2552 8.8501 115.6365 61.6065 62.8433 175.9221 216 S 4.5846 7.7147 111.0902 58.0579 63.5485 172.7290 217 C 4.7622 7.5380 114.2528 58.5511 31.4064 172.2057 218 H 4.8969 8.2096 114.2305 53.8254 30.8579 173.2375 219 V 3.7693 8.3242 121.4244 63.2382 32.0842 175.7003 220 T 4.4472 8.5357 116.9040 63.3796 70.8377 174.5201 221 D 5.2684 7.9318 120.1964 52.4662 45.2555 174.6801 222 L 4.7921 8.9914 125.1256 53.2443 45.0857 174.7922 223 F 5.2269 9.1235 124.8903 55.9339 41.0427 174.8145 224 I 4.4439 9.1911 125.5431 59.3803 39.5401 175.2175 225 G 4.5046 8.4322 112.4760 43.9150 0.0000 172.6208 226 R 4.2761 8.5454 119.8367 56.0561 30.8966 176.4481 227 N 4.5266 8.6491 120.9376 52.7474 39.4683 175.1349 228 E 3.9834 8.6163 119.8244 56.5179 29.9462 176.4308 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 3 L 8.17 4.18 0.00 1.54 1.61 0.94 0.83 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 4 G 8.34 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 0.00 0.00 0.00 5 H 9.53 5.04 0.00 3.26 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.93 4.95 1.85 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 1.32 0.77 0.93 0.00 0.00 7 I 8.72 4.70 1.85 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 0.98 0.77 0.68 0.00 0.00 8 V 8.59 4.68 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 0.74 0.00 0.00 0.91 0.00 0.00 9 T 8.99 4.30 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 10 G 8.57 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 11 A 8.02 4.06 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 12 G 7.84 3.94 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 0.00 0.00 0.00 13 S 7.85 4.41 0.00 4.04 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 14 G 8.65 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 15 L 7.88 4.01 0.00 1.75 1.64 0.92 0.96 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 16 G 7.98 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 17 R 8.56 3.96 0.00 1.88 2.13 0.00 3.13 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 18 A 8.18 3.99 1.38 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 19 L 8.35 3.92 0.00 1.88 1.71 0.89 0.60 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 20 T 7.98 3.82 4.36 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 1.20 0.00 0.00 21 I 8.10 3.78 1.86 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 1.45 0.91 0.91 0.00 0.00 22 G 8.21 3.75 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 0.00 0.00 0.00 23 L 7.90 4.07 0.00 2.00 1.78 0.89 0.91 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 24 V 8.02 3.96 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 1.20 0.00 0.00 0.98 0.00 0.00 25 E 8.16 4.07 0.00 2.22 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 2.35 2.52 0.00 26 R 7.65 4.21 0.00 2.02 1.97 0.00 3.27 0.00 0.00 3.29 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 27 G 7.79 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 0.00 0.00 0.00 28 H 7.91 4.53 0.00 3.29 3.36 0.00 5.61 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 29 Q 8.23 4.84 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 30 V 9.30 4.97 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 0.98 0.00 0.00 1.00 0.00 0.00 31 S 9.20 4.24 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 *34 G 8.27 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 35 R 8.33 4.15 0.00 1.83 2.03 0.00 3.39 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 36 R 7.72 4.31 0.00 1.82 1.82 0.00 3.09 0.00 0.00 3.36 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 37 Y 8.42 4.20 0.00 3.18 3.20 0.00 0.00 0.00 0.00 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1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 119 T 7.86 3.80 4.36 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 1.24 0.00 0.00 120 V 7.80 3.55 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 0.99 0.00 0.00 0.96 0.00 0.00 121 R 7.53 3.84 0.00 1.91 2.04 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 122 L 7.65 4.29 0.00 1.80 1.76 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.94 4.66 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 1.01 0.00 0.00 124 G 8.29 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.19 0.00 1.95 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 0.00 2.29 2.35 0.00 126 R 7.98 3.83 0.00 1.77 1.96 0.00 3.21 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 127 G 7.76 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 0.00 0.00 0.00 128 G 7.59 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 0.00 0.00 0.00 129 V 8.22 4.71 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 1.02 0.00 0.00 0.91 0.00 0.00 130 L 9.34 4.94 0.00 1.76 1.53 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 131 A 9.38 5.23 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 0.00 132 N 9.23 5.32 0.00 2.67 2.61 0.00 0.00 6.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.93 4.29 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 0.85 0.00 0.00 0.85 0.00 0.00 134 L 8.15 4.62 0.00 0.81 1.37 0.56 0.72 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 0.00 135 S 8.21 4.57 0.00 3.67 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 0.00 136 S 8.37 4.64 0.00 3.72 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 0.00 137 A 8.40 4.45 1.10 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 0.00 138 A 8.88 4.42 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.44 3.99 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.08 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 140 V 7.55 3.53 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 0.74 0.00 0.00 0.98 0.00 0.00 141 G 7.69 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 0.00 0.00 0.00 142 K 8.40 4.06 0.00 1.90 2.08 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.51 7.81 143 A 7.99 4.18 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 0.00 144 N 7.68 5.03 0.00 2.31 2.58 0.00 0.00 6.73 7.66 0.00 0.00 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 E 8.18 3.88 0.00 2.24 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 2.53 2.40 0.00 146 S 8.05 4.24 0.00 4.16 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 0.00 147 L 7.82 3.67 0.00 1.37 1.43 -0.46 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.27 4.38 0.00 3.04 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 0.00 149 C 8.30 4.30 0.00 3.30 3.25 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 0.00 150 A 8.09 4.10 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 0.00 151 S 7.86 4.03 0.00 3.95 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 0.00 152 K 8.51 4.03 0.00 1.80 1.87 0.00 1.83 0.00 0.00 1.47 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.25 1.41 7.81 153 W 8.95 4.54 0.00 3.60 3.25 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 0.00 154 G 8.36 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 4.27 0.00 1.88 2.18 0.00 2.94 0.00 0.00 2.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 157 G 8.80 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 0.00 158 F 8.36 4.25 0.00 3.19 3.14 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 0.00 159 L 7.90 3.64 0.00 1.86 1.64 0.97 1.03 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 0.00 160 E 8.61 3.97 0.00 2.12 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 0.00 2.38 2.56 0.00 161 S 7.94 4.03 0.00 3.97 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 0.00 162 L 7.50 3.77 0.00 0.96 1.39 0.83 1.07 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 0.00 163 R 8.14 3.94 0.00 1.92 2.06 0.00 3.18 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 164 A 7.91 3.98 1.38 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 0.00 165 E 8.10 3.94 0.00 2.00 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 2.30 2.34 0.00 166 L 7.62 4.49 0.00 1.86 1.63 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 167 K 7.39 4.01 0.00 1.99 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.54 7.81 168 D 7.95 5.02 0.00 2.69 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 0.00 169 S 7.84 4.74 0.00 3.96 3.88 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 0.00 170 P 0.00 4.37 0.00 2.19 2.21 0.00 3.86 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 171 L 7.22 4.30 0.00 1.64 1.62 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 172 R 8.97 4.66 0.00 1.70 1.71 0.00 2.50 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 173 L 8.47 5.07 0.00 1.47 1.56 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 174 V 9.06 4.65 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 1.02 0.00 0.00 1.06 0.00 0.00 175 N 9.08 5.32 0.00 2.88 2.36 0.00 0.00 6.49 7.27 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 0.00 176 L 8.53 4.89 0.00 1.35 1.42 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 9.05 4.72 0.00 2.47 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 4.76 0.00 2.12 2.24 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 179 S 10.14 4.81 0.00 3.92 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 0.00 180 G 8.29 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 I 7.84 4.05 1.87 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 1.62 0.90 0.00 0.00 182 R 8.41 3.91 0.00 1.86 2.01 0.00 3.17 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 183 S 7.92 4.61 0.00 4.02 3.98 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 0.00 0.00 0.00 184 E 8.70 4.05 0.00 1.95 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 1.47 1.93 0.00 185 F 7.72 4.45 0.00 3.00 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 *197 F 8.01 4.31 0.00 3.10 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 *199 T 7.49 4.16 4.41 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 1.23 0.00 0.00 200 P 0.00 4.29 0.00 2.09 2.15 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 201 E 8.03 3.94 0.00 2.04 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 2.38 2.44 0.00 202 D 8.34 4.24 0.00 2.72 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 0.00 203 A 7.91 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 8.03 4.07 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 0.00 205 A 7.83 4.13 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 0.00 206 Y 7.46 4.07 0.00 3.29 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 *208 L 7.88 4.32 0.00 1.74 1.77 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 209 D 8.23 4.42 0.00 2.96 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 0.00 210 A 7.89 4.12 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 0.00 211 L 7.29 4.32 0.00 1.84 1.73 0.91 0.89 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 0.00 212 E 7.69 3.99 0.00 2.10 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 2.67 2.46 0.00 213 A 8.39 4.42 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 0.00 214 R 8.04 4.80 0.00 1.77 1.80 0.00 3.24 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 215 S 8.85 4.26 0.00 3.87 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 0.00 216 S 7.71 4.58 0.00 3.98 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 0.00 217 C 7.54 4.76 0.00 3.04 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 0.00 218 H 8.21 4.90 0.00 3.26 3.26 0.00 5.53 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 0.00 219 V 8.32 3.77 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 0.89 0.00 0.00 0.98 0.00 0.00 220 T 8.54 4.45 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 1.13 0.00 0.00 221 D 7.93 5.27 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 L 8.99 4.79 0.00 1.73 1.45 0.92 0.81 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 0.00 223 F 9.12 5.23 0.00 2.81 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 0.00 224 I 9.19 4.44 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.62 0.90 0.00 0.00 225 G 8.43 4.50 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 0.00 226 R 8.55 4.28 0.00 1.71 1.82 0.00 3.31 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 227 N 8.65 4.53 0.00 2.70 2.73 0.00 0.00 7.03 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 E 8.62 3.98 0.00 1.99 1.86 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 2.21 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.