NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7196 8.4201 118.2277 52.4743 38.4773 174.1861 0 A 4.0661 8.6889 125.7036 54.1550 19.7326 175.4046 2 R 4.5294 7.8132 111.3314 55.5791 35.7657 172.2425 3 I 4.7957 8.0321 123.0699 59.7563 40.7203 174.3410 4 G 4.5394 8.7083 113.3516 45.0586 0.0000 170.9539 5 H 5.5135 8.8643 121.2107 54.0979 33.2133 172.6470 6 G 4.3074 9.0840 111.5129 44.5527 0.0000 171.2332 7 F 5.4170 8.5540 123.5856 56.6015 42.5645 172.9814 8 D 4.4605 8.2926 124.8528 52.6051 44.9949 173.8730 9 V 4.6490 7.9166 123.2336 61.4255 34.8549 174.1988 10 H 4.9410 8.8077 122.6966 53.8338 33.2714 172.3063 11 K 4.7007 8.4545 122.8640 55.4314 33.6096 176.0622 12 F 4.8087 8.9233 126.5435 58.0111 39.6257 176.3817 13 G 4.0895 9.1269 110.4852 46.2646 0.0000 171.7253 14 E 4.6542 8.4629 120.2508 55.5904 31.8550 176.3771 15 N 5.4634 8.0890 117.5363 54.0324 38.4847 176.3387 16 G 3.9079 7.6984 109.2872 46.6024 0.0000 175.7663 17 S 4.1905 8.0001 115.0956 58.4083 63.3735 174.3131 18 G 3.9088 8.3086 112.6549 43.3721 0.0000 172.0821 19 P 4.7489 0.0000 0.0000 61.7620 32.5160 176.0466 20 L 4.1669 8.1556 118.5982 55.9753 42.7649 176.6458 21 I 4.9793 8.3619 123.2206 59.6542 39.9748 174.8398 22 I 4.6026 8.5523 128.0518 60.4254 40.2854 175.8262 23 G 3.9665 9.9571 114.5934 46.7216 0.0000 174.5609 24 G 3.8490 9.1793 106.9584 45.1544 0.0000 174.3693 25 V 4.1269 7.4458 120.3721 60.9410 32.8977 174.3937 26 R 4.7434 8.4625 127.7266 55.8382 30.3468 175.1143 27 I 4.4117 8.5521 128.3405 58.6784 39.7279 173.6132 28 P 4.6137 0.0000 0.0000 62.9485 31.6655 175.2654 29 Y 4.6606 8.1555 122.4894 56.5364 41.5795 173.6665 30 E 4.0535 7.3687 123.0807 58.3607 30.8114 176.3224 31 K 5.1064 7.7473 117.6304 54.4970 36.4864 175.4310 32 G 4.3449 8.6780 108.3725 44.5596 0.0000 171.7258 33 L 5.1257 8.3434 120.0077 53.0600 42.4696 177.1821 34 L 4.3016 8.8250 125.5701 55.8696 41.1960 176.1994 35 A 4.3092 8.0138 120.8217 51.9795 21.5379 176.1056 36 H 4.2547 8.7849 119.4321 59.2055 30.4017 175.5914 37 S 4.7579 7.6597 113.8262 57.0359 65.2557 173.6783 38 D 4.3077 8.2368 119.7714 55.0721 38.9209 177.2132 39 G 3.6226 7.8032 107.7508 46.7262 0.0000 175.0450 40 D 4.7110 7.8369 122.1020 52.5874 39.3795 176.1719 41 V 3.7413 8.3549 126.2150 64.9149 31.6114 177.1430 42 A 3.9077 7.8424 119.6569 55.1561 18.3495 179.4884 43 L 3.9550 8.1037 117.5610 57.9837 41.5280 179.4829 44 H 4.2128 8.3966 116.3539 58.9391 28.7024 177.4457 45 A 3.9165 8.1406 122.3792 55.3357 18.1255 179.6031 46 A 3.9182 8.0838 119.0096 55.5207 18.4290 179.9754 47 T 3.8573 8.3221 114.7056 66.9517 68.5457 176.6160 48 D 4.3664 8.4338 120.7436 57.1670 40.8055 178.4886 49 A 4.1157 8.1392 121.3535 55.2619 18.2743 179.7192 50 L 3.9410 8.0340 117.1727 58.1221 41.7844 179.8335 51 L 4.1480 8.4540 119.4507 57.7076 41.6259 179.9229 52 G 3.5880 8.6787 106.0305 47.6958 0.0000 175.7164 53 A 4.7648 8.2875 123.3930 53.9826 18.4312 178.5856 54 A 4.1171 7.5567 116.1735 51.0295 19.5671 176.9321 55 A 3.7091 7.3694 119.7566 53.6599 16.6651 177.7302 56 L 4.5753 8.6265 117.7122 54.9701 44.1149 177.1680 57 G 4.0012 9.8342 109.8112 43.7989 0.0000 175.8895 58 D 4.5191 8.5822 126.5608 51.5488 42.2401 176.1301 59 I 3.7961 8.7686 119.5581 64.7643 36.6518 178.6292 60 G 3.8188 8.1451 105.0174 47.7717 0.0000 175.4157 61 K 4.0801 8.1771 119.7331 59.4814 32.2286 179.2353 62 L 3.9090 7.1188 117.4780 55.9956 42.5351 177.4938 63 F 4.7590 7.7930 116.7853 53.8737 39.7581 170.8638 64 P 4.1434 0.0000 0.0000 62.2917 31.9295 177.0099 65 D 4.4923 8.8687 123.1422 57.3344 41.6678 177.2963 66 T 3.8714 8.1227 108.5638 64.4459 68.7412 173.6038 67 D 4.3039 7.7677 122.9746 53.6227 41.3379 175.2448 68 P 4.3734 0.0000 0.0000 64.5976 31.5532 178.2731 69 A 3.8966 7.7516 120.7958 53.9682 18.4132 178.0474 70 F 4.9590 7.4064 113.6270 56.7677 39.6634 175.1967 71 K 3.9163 7.8441 123.3507 57.3872 32.0891 176.6404 72 G 3.8842 9.3784 114.3182 46.0963 0.0000 173.3379 73 A 4.0023 7.7589 122.5143 52.0459 19.0564 177.4127 74 D 4.8766 8.5487 120.8882 54.0697 42.2403 177.6436 75 S 4.1339 9.4913 124.5607 61.7131 62.8401 176.9082 76 R 4.0153 8.5546 121.2418 59.0491 29.7422 179.3693 77 G 3.5143 7.9142 105.0111 47.7687 0.0000 175.4474 78 L 3.4023 7.6512 121.9529 57.1549 41.4893 179.4081 79 L 3.9929 8.2015 120.4075 58.4369 42.0730 179.3321 80 R 4.0213 8.1636 117.9364 59.0506 29.9417 178.8122 81 E 3.9731 8.3879 119.0131 59.3330 29.6880 178.5228 82 A 4.1096 8.4023 120.9507 55.6506 18.4059 179.0360 83 Y 4.2483 8.3948 118.0542 60.5142 38.7425 177.8875 84 R 3.7588 8.1403 119.8962 59.5310 30.2387 178.6237 85 R 3.9046 8.0575 117.6439 59.4188 30.2041 179.0822 86 I 3.7832 7.9789 119.7486 64.3717 37.0348 178.5037 87 L 4.3562 8.3127 121.2481 57.1836 41.1975 179.0923 88 A 3.9573 7.8987 119.8780 55.2402 18.3682 178.9496 89 K 4.1638 7.7002 114.3024 56.9964 32.4483 177.4632 90 G 3.7194 8.5176 107.3886 45.7201 0.0000 172.3371 91 Y 5.5072 7.7262 116.6287 55.8201 41.5947 174.8190 92 K 5.1719 9.0318 120.4315 54.5172 36.8898 175.1211 93 L 3.9728 9.2053 124.0479 55.9689 41.8554 176.4408 94 G 4.0299 9.5063 115.9669 47.2078 0.0000 173.0350 95 N 5.2291 7.5886 114.9289 50.9161 41.2073 172.3826 96 L 5.1947 9.1228 121.5898 53.3841 45.9392 174.6118 97 D 5.2474 9.1787 123.9501 52.6351 44.9652 174.0528 98 I 4.9695 8.6718 125.4465 59.7865 41.3319 174.6005 99 T 4.9884 9.2085 122.8140 61.7495 71.2837 173.3251 100 I 4.2294 8.8236 129.0565 60.9549 38.8144 175.5015 101 I 4.9248 9.1697 127.6277 59.8974 39.4119 174.4897 102 A 4.7100 8.4789 128.2141 50.7261 21.7838 176.1590 103 Q 3.9176 9.3319 122.8787 58.3851 29.5837 175.8239 104 A 4.3630 7.2861 116.5361 50.6925 21.5935 173.8634 105 P 4.5806 0.0000 0.0000 61.5473 32.8992 175.5218 106 K 4.1081 8.1569 117.7307 56.2966 33.3310 176.6370 *108 A 4.4016 8.4748 120.4665 52.2346 20.0231 177.2994 109 P 4.1965 0.0000 0.0000 65.5414 31.7084 176.9278 110 H 4.7468 7.7979 112.8674 55.8608 29.4872 176.9907 111 I 3.8634 7.5511 120.7127 63.8452 37.3713 175.7790 112 P 4.3818 0.0000 0.0000 65.6469 31.4522 178.5940 113 Q 4.3457 7.6290 117.7028 56.2645 28.5025 178.0203 *115 R 4.2663 8.1322 117.1435 55.8214 32.5082 178.1552 116 V 3.5664 7.9416 117.0091 66.2814 31.3948 177.8819 117 N 4.3523 8.5211 116.4650 56.2469 38.3042 177.5216 118 L 3.9206 7.7985 119.7062 57.6970 41.9149 179.1436 119 A 4.0766 8.3835 121.1434 54.8210 18.2163 179.3993 120 E 3.8327 8.2677 117.9590 59.7052 29.6126 178.6689 121 D 4.3512 8.0273 117.5377 57.1445 40.9827 177.5818 122 L 3.7952 8.1715 116.3411 53.3850 42.1036 176.9454 123 Q 3.2866 7.7947 116.7129 56.7232 26.3922 171.3632 124 C 4.8793 8.0835 111.0246 57.0692 34.5920 175.3076 125 H 4.7869 8.1781 127.5089 56.3660 27.8546 177.1425 *127 D 4.5571 8.6334 116.8906 53.6884 42.3656 175.1831 128 D 4.7407 8.2054 118.9063 53.9626 41.3432 175.3359 129 I 4.9157 7.5249 120.4497 59.3804 39.7230 174.3085 130 N 5.0813 9.1481 125.8200 51.6717 42.0004 173.2095 131 V 4.9477 8.3158 123.9602 61.1898 34.5760 174.3827 132 K 4.8885 9.4254 125.9077 54.5512 36.5165 174.7668 133 A 5.2459 8.3778 121.7697 50.8673 22.3069 175.2857 134 T 4.6072 8.8209 113.5872 61.1652 71.3115 172.8531 135 T 4.7245 8.4297 120.7340 60.7386 70.4200 174.3042 136 T 4.4479 8.1875 114.7067 61.0039 67.7194 173.3915 137 E 3.8798 9.0815 116.0852 57.2172 27.0371 175.2606 138 Q 4.0272 8.5662 113.2270 56.5351 27.3409 173.8793 139 L 4.3427 7.8377 118.7745 54.3671 43.2021 178.6087 140 G 4.2822 8.3837 110.3828 45.0923 0.0000 173.9908 141 F 4.3313 8.2728 112.8472 59.8655 37.9259 177.4966 142 T 4.2308 6.1120 111.7206 64.0216 68.6268 176.8828 143 G 3.5810 7.8713 108.2205 47.1869 0.0000 174.9810 144 R 4.3079 8.2498 118.7191 56.0096 30.3016 176.1773 145 G 4.1653 7.9878 105.4382 47.7074 0.0000 174.6116 146 E 4.5560 8.6919 120.3320 57.0342 30.0284 175.9785 147 G 3.9617 7.5313 104.4124 45.9643 0.0000 171.9301 148 I 4.9126 7.9704 119.5591 59.2621 40.5369 175.2554 149 A 5.1780 8.8406 126.9089 50.4457 22.7216 174.6236 150 C 5.0603 8.5639 118.6553 57.8340 35.7065 172.3986 151 E 5.3314 9.4722 126.1141 54.4335 32.5993 174.3128 152 A 5.3654 9.2962 127.6002 50.2072 23.1294 175.1358 153 V 5.0621 8.8376 119.2756 60.1386 35.2730 174.8280 154 V 4.9583 8.7750 121.2962 60.2620 35.5553 173.1982 155 L 5.1351 8.9215 123.9543 53.4171 44.7969 174.9811 156 L 5.0809 9.1352 126.5340 53.3009 44.1043 175.5352 157 V 4.6696 8.8190 123.0159 60.8760 34.2518 174.2188 158 N 4.9319 9.1842 127.3937 53.6723 39.4786 174.8943 159 V 3.9294 8.5127 125.8667 63.1664 31.2530 175.5385 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 -1 N 8.42 4.72 0.00 2.90 2.97 0.00 0.00 6.02 6.38 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 A 8.69 4.07 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 2 R 7.81 4.53 0.00 1.27 1.69 0.00 3.06 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.30 0.00 3 I 8.03 4.80 1.85 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 1.28 1.42 0.89 0.00 0.00 4 G 8.71 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.86 5.51 0.00 3.13 3.14 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.08 4.31 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 0.00 7 F 8.55 5.42 0.00 3.07 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 8 D 8.29 4.46 0.00 2.57 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 0.00 0.00 0.00 0.00 9 V 7.92 4.65 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 0.79 0.00 0.00 0.90 0.00 0.00 10 H 8.81 4.94 0.00 2.95 3.00 0.00 5.66 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 11 K 8.45 4.70 0.00 1.78 1.65 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.46 7.81 12 F 8.92 4.81 0.00 3.09 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 13 G 9.13 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 14 E 8.46 4.65 0.00 2.06 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 2.36 2.34 0.00 15 N 8.09 5.46 0.00 2.65 2.76 0.00 0.00 7.15 7.65 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 16 G 7.70 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 17 S 8.00 4.19 0.00 4.02 3.85 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 0.00 0.00 0.00 0.00 18 G 8.31 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 19 P 0.00 4.75 0.00 2.06 2.37 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 20 L 8.16 4.17 0.00 1.87 1.58 1.16 0.80 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 21 I 8.36 4.98 1.84 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 1.34 1.04 0.98 0.00 0.00 22 I 8.55 4.60 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.86 0.00 0.00 23 G 9.96 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 0.00 0.00 0.00 24 G 9.18 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.45 4.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.98 0.00 0.00 26 R 8.46 4.74 0.00 1.85 1.82 0.00 3.25 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 27 I 8.55 4.41 1.79 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 0.78 1.12 0.81 0.00 0.00 28 P 0.00 4.61 0.00 2.00 2.03 0.00 3.75 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 2.08 2.12 0.00 29 Y 8.16 4.66 0.00 2.78 2.97 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 30 E 7.37 4.05 0.00 1.72 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 1.47 1.68 0.00 31 K 7.75 5.11 0.00 1.69 2.00 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.63 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 0.93 7.81 32 G 8.68 4.34 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 0.00 33 L 8.34 5.13 0.00 1.47 1.52 0.89 0.38 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 34 L 8.82 4.30 0.00 1.64 1.69 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.01 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.78 4.25 0.00 3.26 3.36 0.00 5.68 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 37 S 7.66 4.76 0.00 4.21 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 38 D 8.24 4.31 0.00 2.79 2.83 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 39 G 7.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.84 4.71 0.00 2.75 2.43 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 41 V 8.35 3.74 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 1.10 0.00 0.00 0.91 0.00 0.00 42 A 7.84 3.91 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 43 L 8.10 3.95 0.00 1.64 1.70 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.40 4.21 0.00 3.25 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.14 3.92 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 46 A 8.08 3.92 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 47 T 8.32 3.86 4.42 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 1.32 0.00 0.00 48 D 8.43 4.37 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 49 A 8.14 4.12 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 50 L 8.03 3.94 0.00 1.93 1.82 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.45 4.15 0.00 1.65 1.70 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.68 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.29 4.76 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 54 A 7.56 4.12 1.39 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 55 A 7.37 3.71 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 56 L 8.63 4.58 0.00 1.57 1.65 0.94 0.98 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 57 G 9.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.58 4.52 0.00 3.04 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 59 I 8.77 3.80 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 1.58 0.82 1.03 0.00 0.00 60 G 8.15 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 0.00 0.00 0.00 61 K 8.18 4.08 0.00 1.81 1.78 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.59 7.81 62 L 7.12 3.91 0.00 0.63 0.13 0.76 0.95 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 63 F 7.79 4.76 0.00 2.46 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 64 P 0.00 4.14 0.00 2.34 2.08 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 65 D 8.87 4.49 0.00 2.66 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 66 T 8.12 3.87 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 1.22 0.00 0.00 67 D 7.77 4.30 0.00 2.97 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 P 0.00 4.37 0.00 2.18 2.08 0.00 3.61 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 2.10 2.09 0.00 69 A 7.75 3.90 0.80 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 0.00 0.00 70 F 7.41 4.96 0.00 3.17 2.97 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 71 K 7.84 3.92 0.00 1.64 1.67 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.28 7.81 72 G 9.38 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 0.00 0.00 0.00 73 A 7.76 4.00 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 74 D 8.55 4.88 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.49 4.13 0.00 3.83 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 76 R 8.55 4.02 0.00 1.93 2.08 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 77 G 7.91 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 78 L 7.65 3.40 0.00 1.66 1.28 0.69 -0.77 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 79 L 8.20 3.99 0.00 1.73 1.85 0.91 0.83 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 80 R 8.16 4.02 0.00 2.11 2.02 0.00 3.21 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 81 E 8.39 3.97 0.00 2.17 2.30 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 2.65 2.73 0.00 82 A 8.40 4.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.39 4.25 0.00 3.15 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 84 R 8.14 3.76 0.00 2.22 2.06 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 85 R 8.06 3.90 0.00 1.97 1.96 0.00 3.35 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 86 I 7.98 3.78 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.08 1.06 0.00 0.00 87 L 8.31 4.36 0.00 1.60 1.55 0.57 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.90 3.96 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 89 K 7.70 4.16 0.00 1.99 1.91 0.00 1.87 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.47 7.81 90 G 8.52 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 91 Y 7.73 5.51 0.00 2.98 2.81 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 92 K 9.03 5.17 0.00 1.94 1.93 0.00 1.38 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81 93 L 9.21 3.97 0.00 1.61 1.66 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.51 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 95 N 7.59 5.23 0.00 2.86 2.87 0.00 0.00 5.39 6.67 0.00 0.00 0.00 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0.00 2.50 2.41 0.00 104 A 7.29 4.36 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 0.00 105 P 0.00 4.58 0.00 2.18 2.10 0.00 3.38 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 106 K 8.16 4.11 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.45 7.81 *108 A 8.47 4.40 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 0.00 109 P 0.00 4.20 0.00 1.66 2.03 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 110 H 7.80 4.75 0.00 3.18 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.55 3.86 1.99 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 1.29 0.47 0.96 0.00 0.00 112 P 0.00 4.38 0.00 2.17 2.09 0.00 3.70 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 2.10 2.06 0.00 113 Q 7.63 4.35 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 *115 R 8.13 4.27 0.00 2.10 1.99 0.00 3.18 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 116 V 7.94 3.57 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 1.03 0.00 0.00 0.96 0.00 0.00 117 N 8.52 4.35 0.00 2.75 2.83 0.00 0.00 7.12 6.33 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 0.00 118 L 7.80 3.92 0.00 1.79 1.65 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.38 4.08 1.39 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 0.00 120 E 8.27 3.83 0.00 2.27 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 2.31 2.34 0.00 121 D 8.03 4.35 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.17 3.80 0.00 1.38 0.98 0.71 0.32 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0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 132 K 9.43 4.89 0.00 1.65 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.38 5.25 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 0.00 134 T 8.82 4.61 4.24 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 1.21 0.00 0.00 135 T 8.43 4.72 4.24 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 1.22 0.00 0.00 136 T 8.19 4.45 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 1.13 0.00 0.00 137 E 9.08 3.88 0.00 2.11 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 2.21 2.24 0.00 138 Q 8.57 4.03 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 139 L 7.84 4.34 0.00 1.78 1.55 0.91 0.74 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 0.00 140 G 8.38 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 0.00 0.00 0.00 0.00 141 F 8.27 4.33 0.00 3.57 3.43 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 0.00 142 T 6.11 4.23 4.12 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 0.91 0.00 0.00 143 G 7.87 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.25 4.31 0.00 2.18 2.16 0.00 3.50 0.00 0.00 3.27 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 145 G 7.99 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 0.00 0.00 0.00 146 E 8.69 4.56 0.00 2.21 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 2.44 2.71 0.00 147 G 7.53 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.97 4.91 1.67 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.52 0.92 0.00 0.00 149 A 8.84 5.18 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 0.00 150 C 8.56 5.06 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 9.47 5.33 0.00 2.26 1.82 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 2.29 2.52 0.00 152 A 9.30 5.37 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.84 5.06 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 0.81 0.00 0.00 1.04 0.00 0.00 154 V 8.77 4.96 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 0.68 0.00 0.00 1.01 0.00 0.00 155 L 8.92 5.14 0.00 1.73 1.52 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 156 L 9.14 5.08 0.00 1.31 1.46 0.84 0.73 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 0.00 157 V 8.82 4.67 2.16 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 1.06 0.00 0.00 0.97 0.00 0.00 158 N 9.18 4.93 0.00 3.21 2.78 0.00 0.00 7.13 7.25 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 0.00 159 V 8.51 3.93 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 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.