NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6309 8.4201 119.2044 53.5075 39.1175 175.3133 0 A 3.9315 8.3279 134.0976 53.4076 17.6468 176.3926 2 S 3.1737 8.0161 111.7326 58.5722 66.0472 169.7236 3 L 4.2570 8.1436 126.0204 55.1794 42.5546 175.5945 4 L 4.7787 8.9022 127.9602 53.2492 45.0756 174.7583 5 I 5.1363 8.4325 126.7997 59.5770 39.3012 174.9292 6 R 4.9121 8.7667 122.3860 54.4320 33.5037 173.8999 7 E 4.2931 8.8685 120.9476 55.8499 30.2405 176.1755 8 L 4.3309 8.6685 129.3543 55.4560 42.9445 176.0087 9 E 4.8478 9.5879 124.4029 54.4083 33.1362 177.2241 10 T 3.8685 8.5583 117.5161 67.1567 68.5528 176.0995 11 N 4.6277 8.0275 115.5056 54.8101 37.3920 175.4958 12 D 4.5924 8.1715 118.7559 56.0528 41.7732 178.7871 13 L 4.2372 7.9617 119.8127 57.7415 41.9105 178.8729 14 D 4.4038 8.3186 117.2972 57.1647 40.7111 177.5961 15 N 4.9421 7.2697 113.4919 52.6267 39.0805 174.5846 16 F 3.9135 7.8362 121.7018 57.3854 39.7771 173.3496 17 P 4.5928 0.0000 0.0000 62.3591 32.3289 176.5616 18 E 4.4622 8.2490 119.9342 54.7322 27.9886 175.8537 19 I 3.7539 7.7974 122.3435 61.0671 38.1567 176.0273 20 D 4.5541 8.8636 124.2395 54.0626 40.0556 175.6891 21 D 4.9766 8.5010 125.1252 52.8096 39.8618 176.9522 22 S 4.5531 8.3681 114.1776 58.1939 64.0022 172.9780 23 F 4.9761 7.6469 114.7543 55.8689 41.3543 172.6254 24 I 4.5821 8.3309 120.5452 59.9220 38.8007 175.3587 25 V 4.1447 8.1736 128.1179 61.4305 32.4498 175.4850 26 N 5.1731 8.7133 122.2783 51.2064 39.7113 173.0456 27 A 4.9177 7.8851 119.4850 52.0690 22.4019 175.8444 28 R 4.8069 8.8139 114.4181 55.4596 33.0995 175.8317 29 L 5.1090 8.2246 121.4706 53.4805 44.1639 176.0443 *31 L 4.4692 8.3437 118.6010 55.8751 42.8644 176.3623 32 S 4.8092 8.6839 114.3550 57.5784 67.0973 173.1167 33 L 5.2275 8.2268 122.3987 54.1917 44.0644 175.2632 34 S 4.5167 8.7987 121.2177 57.5200 63.3532 174.9888 35 K 3.8525 8.5741 124.4163 58.8573 32.0398 178.5456 36 V 4.2507 7.6779 109.8430 61.5645 33.4447 175.4372 37 N 4.8762 7.0209 117.8981 53.2675 38.7218 175.9935 *39 R 4.2007 8.4530 113.7256 55.6928 31.7123 173.1961 40 I 4.7673 8.3513 123.5836 60.8137 38.4535 174.8587 41 E 5.0074 9.1928 125.5318 55.0759 34.1958 173.7632 42 Y 5.2569 7.7691 117.3304 56.4656 40.9163 173.9332 43 T 4.7934 8.6098 109.2962 59.9816 72.5468 172.5139 44 V 4.6002 8.5154 123.2187 61.5989 33.1045 174.4357 45 E 4.8501 9.0423 128.2314 54.3715 32.8119 174.8545 46 D 5.2395 8.7315 125.0198 54.5018 42.2051 175.9831 47 V 4.5855 8.2896 119.1857 59.6228 35.1960 171.8394 48 P 4.3409 0.0000 0.0000 63.4187 31.6080 176.4134 49 S 5.1435 9.0438 120.3472 58.8672 63.6391 173.0971 50 Y 4.7674 7.8039 118.4035 56.2439 40.6038 172.9414 51 E 4.6186 8.8168 122.0180 55.7842 31.1872 174.6857 52 K 4.2777 8.0206 124.4817 55.0553 37.1491 175.1729 *63 V 3.8995 8.2282 120.7741 62.5197 31.6192 174.9377 64 Y 4.0983 8.2642 126.4247 61.4900 37.7132 178.3962 65 N 4.3728 8.3828 116.6540 56.5059 38.4538 176.3545 66 E 4.2946 8.0817 116.8700 57.6661 29.6298 176.8661 67 Y 4.3722 7.9798 116.6339 57.9635 38.5713 177.6308 68 I 3.8330 7.4901 120.5993 64.0254 37.8803 176.7754 69 N 5.0078 7.7987 116.1144 51.4633 37.7746 174.2612 70 K 4.7324 7.4620 117.1211 53.9032 36.6866 175.4949 71 P 4.5168 0.0000 0.0000 64.9903 31.9793 176.5652 72 N 5.1902 8.2558 114.1242 53.1132 39.9201 174.2499 73 Q 5.1725 7.9570 116.6440 54.8107 33.1520 173.7266 74 I 4.5036 8.1404 119.4669 61.2653 42.3416 172.8759 75 I 4.9450 7.8148 126.0136 59.6859 40.9100 173.7855 76 Y 5.2658 8.9119 124.4560 56.1953 40.6436 174.7578 77 I 5.0518 9.0090 117.1180 59.1783 40.9630 174.1943 78 A 4.9654 8.9531 126.7383 50.5297 20.9582 175.5480 79 L 5.0304 9.0659 123.4406 53.0765 44.4107 175.7174 80 L 4.7287 8.5543 125.2493 54.0244 45.7116 175.9070 81 H 4.0154 9.6671 121.2674 56.9378 27.4176 174.4566 82 N 4.2328 8.2150 110.3147 54.7875 36.4758 174.1363 83 Q 4.4638 7.8139 119.3182 53.9759 31.5837 174.6899 84 I 4.2052 8.1069 125.8091 61.1170 37.3048 175.5461 85 I 4.2075 8.1765 119.1973 60.0259 38.9404 175.1254 86 G 4.2963 7.5641 109.4308 46.6178 0.0000 171.9787 87 F 5.4562 7.8557 113.9231 56.1091 41.8357 172.8047 88 I 5.1130 9.1215 119.5699 59.3618 41.7107 173.7287 89 V 4.6250 9.0075 129.1739 61.1372 33.7599 174.2736 90 L 5.5988 8.9896 127.6453 52.9308 45.8222 175.6755 91 K 5.3456 9.0810 120.1982 55.2099 36.7196 174.9491 92 K 4.7326 9.0556 123.8140 56.0378 32.8746 176.4303 93 N 4.7867 9.4370 127.0617 51.9273 40.0167 175.6511 94 W 4.3543 8.6143 118.1301 58.9121 28.1634 176.4674 95 N 4.4027 6.9362 114.7644 52.2797 36.6461 175.4756 96 N 4.4551 8.0931 114.2217 54.1182 37.3019 173.9022 97 Y 4.6552 7.8650 116.0660 56.9347 40.1626 174.8054 98 A 4.8745 8.9641 124.6926 52.3079 20.1253 175.8117 99 Y 4.9058 9.6629 123.5691 55.8343 41.5925 174.7507 100 I 4.4193 7.9773 127.9006 60.4931 36.7759 175.4446 101 E 4.4632 9.2274 128.6964 59.4248 30.1090 177.4446 102 D 4.6279 7.7181 115.6370 53.3017 44.7453 174.3089 103 I 4.8901 8.1498 124.2447 59.6949 41.2021 174.2802 104 T 4.4387 8.1692 124.7121 61.8501 73.1240 172.8038 105 V 4.5776 7.9360 124.9457 60.4989 34.2492 174.5444 106 D 4.4703 9.2519 127.6949 54.8982 41.9226 176.7800 107 K 3.8128 8.7824 127.8831 59.5856 32.1997 178.6638 108 K 3.9592 7.9893 115.1530 59.0675 32.5096 176.7979 109 Y 4.5122 8.0825 116.7367 57.6243 38.3451 175.8458 110 R 4.1225 7.5029 119.6172 57.5828 30.5836 176.7852 111 T 3.4225 8.5821 109.4345 62.2735 66.7142 172.0431 112 L 4.5060 7.6087 119.1581 54.8565 42.2630 177.5191 113 G 3.9873 8.1855 107.6258 45.6112 0.0000 175.9934 114 V 3.6560 7.7851 119.6973 65.7489 31.5417 177.8666 115 G 3.5179 7.9751 105.0259 47.8290 0.0000 175.3506 116 K 4.0442 8.2479 121.9488 59.2669 32.2218 178.9313 117 R 3.9516 7.9272 118.0466 58.9814 29.9246 178.9597 118 L 3.9818 8.0736 119.0497 57.8237 41.5241 179.5768 119 I 3.8326 8.1290 119.6306 64.2614 37.1730 178.2194 120 A 3.9666 8.2191 121.7642 55.3278 18.2024 179.5109 121 Q 3.7341 8.0396 117.7511 59.0784 28.9749 178.1621 122 A 4.2029 8.0894 121.9133 55.2522 18.4058 179.7554 123 K 4.0610 8.4718 117.1854 59.6747 31.9990 179.5861 124 Q 3.9051 7.9622 117.9277 58.6637 28.7696 178.6562 125 W 4.2212 8.5204 129.1380 60.3638 30.5656 177.6508 126 A 3.8780 8.3532 119.6424 55.3218 18.1970 179.3892 127 K 3.9801 8.0839 116.7607 59.7499 31.8937 179.4508 128 E 4.0524 8.3061 118.0348 58.7385 29.3195 178.6091 129 G 3.8536 7.2390 103.2038 42.5715 0.0000 171.0687 130 N 3.8346 7.6718 122.2679 52.5302 37.0506 172.5197 *132 P 4.2088 0.0000 0.0000 61.7185 34.0341 176.0691 133 G 2.3318 5.9032 105.5753 45.6515 0.0000 171.5426 134 I 5.9648 7.5977 119.3093 57.9157 42.3871 174.3730 *136 L 3.7171 8.1938 124.2547 55.3619 42.1446 174.7150 137 E 4.9709 8.2817 119.2140 54.8208 32.1938 174.4568 138 T 4.7574 8.7833 119.9544 61.0462 71.9168 171.7608 139 Q 5.3786 8.4125 119.8327 53.7756 31.8733 177.1948 140 N 4.3471 9.1011 119.1447 55.3224 37.4821 176.1453 141 N 4.8186 8.1390 114.5171 53.1741 38.4249 175.8390 142 N 4.7191 7.8386 119.9312 52.4551 36.0238 174.8507 143 V 3.5405 7.5299 123.6553 65.3815 32.2095 176.6447 144 A 3.8568 7.8741 119.9425 55.1350 18.1364 179.3208 145 A 3.5599 7.7469 118.9223 55.3050 18.4103 179.5990 146 C 3.5952 7.8748 115.2143 62.8727 28.1764 176.6059 147 K 3.9702 8.2912 120.4083 59.1687 31.5751 179.1852 148 F 3.9833 8.0624 120.9670 61.5689 39.2847 176.8728 149 Y 3.5140 7.4422 116.5194 60.5205 37.4154 178.0082 150 E 4.2336 7.7681 120.2649 59.5321 29.5967 179.2382 151 K 4.0815 7.9001 116.8663 59.1217 32.1299 178.2184 152 C 4.3942 7.4517 114.7543 59.7748 28.3213 174.4130 153 G 4.0346 8.0375 109.7056 44.8149 0.0000 174.0965 154 F 4.8159 8.3266 118.0941 57.5564 39.8653 175.3202 155 V 4.9549 9.1934 113.9846 59.5955 35.8701 175.0121 156 I 3.7698 8.2859 124.3335 61.2864 36.9090 176.0490 157 G 3.8609 9.1605 114.5358 46.8279 0.0000 172.9103 158 G 4.3135 7.9419 106.1933 46.1749 0.0000 171.8705 159 F 5.5452 8.0751 113.6061 56.0375 41.0899 173.6320 160 D 4.5950 8.9049 119.4667 53.5363 43.7466 175.8668 161 F 4.5507 9.2470 124.8686 58.8234 39.7859 176.3559 162 L 4.7017 8.0838 119.1941 54.7714 43.2720 178.6537 163 V 3.5644 8.1349 118.3944 64.7074 31.1609 176.7429 164 Y 4.7528 7.6385 115.5321 58.4180 38.3843 177.2722 165 K 4.4077 8.3915 121.0455 59.1836 31.8024 179.3067 166 G 3.7772 8.1398 105.0347 47.4036 0.0000 175.1542 167 L 4.3382 7.6219 120.6210 57.4239 42.2919 175.7257 168 N 4.5153 7.7776 113.8602 53.4222 42.1337 174.1942 *170 T 4.3568 8.3594 107.6940 61.0194 70.5310 174.3235 171 S 4.3672 7.7430 117.4779 58.5855 63.6568 173.6995 172 D 4.9770 8.4806 120.9495 54.0982 41.3334 176.3726 173 E 4.3804 8.1662 119.3744 56.3977 30.2943 176.1100 174 V 4.6693 9.0177 122.5873 60.8939 34.3934 174.5363 175 A 4.7453 8.6981 130.1295 51.9141 19.7587 176.1286 176 I 4.7193 8.6013 122.5500 59.5460 40.9338 174.0559 177 Y 4.9691 8.7570 124.8421 56.2115 39.7716 174.7368 178 W 5.4219 8.7525 124.6880 55.2808 31.5870 175.3593 179 Y 5.1786 9.6015 120.3107 56.3325 42.2618 174.2450 180 L 4.6420 9.1656 124.8013 53.5369 44.8355 174.3726 181 H 4.5686 8.7151 126.7438 54.7569 31.1707 174.3912 182 F 4.6850 7.9364 125.4310 57.3276 39.4490 175.5295 183 D 4.6129 8.7743 122.7722 54.4555 41.1623 175.9934 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 4.63 0.00 2.70 2.83 0.00 0.00 6.98 7.08 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 A 8.33 3.93 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 2 S 8.02 3.17 0.00 4.06 4.16 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 3 L 8.14 4.26 0.00 1.62 1.59 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.90 4.78 0.00 1.75 1.43 0.93 0.72 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 5 I 8.43 5.14 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.85 0.00 0.00 6 R 8.77 4.91 0.00 1.95 2.05 0.00 2.81 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 7 E 8.87 4.29 0.00 1.92 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 2.21 2.05 0.00 8 L 8.67 4.33 0.00 1.75 1.54 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.59 4.85 0.00 2.09 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 2.22 2.42 0.00 10 T 8.56 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 1.21 0.00 0.00 11 N 8.03 4.63 0.00 2.72 2.87 0.00 0.00 6.91 8.06 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 12 D 8.17 4.59 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.96 4.24 0.00 1.80 1.65 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.32 4.40 0.00 2.66 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 15 N 7.27 4.94 0.00 2.72 2.76 0.00 0.00 7.04 7.33 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 16 F 7.84 3.91 0.00 3.04 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 17 P 0.00 4.59 0.00 2.16 1.93 0.00 2.57 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 18 E 8.25 4.46 0.00 2.02 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 2.33 2.36 0.00 19 I 7.80 3.75 2.15 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 1.33 0.68 0.99 0.00 0.00 20 D 8.86 4.55 0.00 2.75 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 21 D 8.50 4.98 0.00 2.85 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 22 S 8.37 4.55 0.00 4.08 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 23 F 7.65 4.98 0.00 2.96 3.02 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 24 I 8.33 4.58 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.88 0.00 0.00 25 V 8.17 4.14 0.76 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 0.85 0.00 0.00 0.70 0.00 0.00 26 N 8.71 5.17 0.00 2.80 2.89 0.00 0.00 6.42 6.96 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 27 A 7.89 4.92 1.24 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 0.00 0.00 28 R 8.81 4.81 0.00 1.88 2.03 0.00 2.83 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 29 L 8.22 5.11 0.00 1.37 1.53 0.85 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *31 L 8.34 4.47 0.00 0.82 0.82 0.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.68 4.81 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.23 5.23 0.00 1.86 1.70 0.93 1.05 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 34 S 8.80 4.52 0.00 3.92 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 35 K 8.57 3.85 0.00 1.80 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 36 V 7.68 4.25 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 0.69 0.00 0.00 0.94 0.00 0.00 37 N 7.02 4.88 0.00 2.64 2.04 0.00 0.00 7.14 7.53 0.00 0.00 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 R 8.45 4.20 0.00 2.03 1.89 0.00 3.18 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 I 8.35 4.77 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 1.59 0.57 1.08 0.00 0.00 41 E 9.19 5.01 0.00 1.84 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 2.23 2.36 0.00 42 Y 7.77 5.26 0.00 2.88 2.85 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 43 T 8.61 4.79 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 1.22 0.00 0.00 44 V 8.52 4.60 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 0.84 0.00 0.00 1.15 0.00 0.00 45 E 9.04 4.85 0.00 2.08 1.77 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 2.22 2.28 0.00 46 D 8.73 5.24 0.00 2.63 2.60 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 0.00 0.00 0.00 0.00 47 V 8.29 4.59 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 0.77 0.00 0.00 1.06 0.00 0.00 48 P 0.00 4.34 0.00 2.03 2.11 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 49 S 9.04 5.14 0.00 3.77 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 50 Y 7.80 4.77 0.00 2.99 2.94 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0.00 0.00 77 I 9.01 5.05 1.88 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 0.76 1.06 0.00 0.00 78 A 8.95 4.97 1.23 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 0.00 0.00 0.00 79 L 9.07 5.03 0.00 1.60 1.49 0.90 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.55 4.73 0.00 1.44 0.99 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 81 H 9.67 4.02 0.00 3.32 3.37 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.21 4.23 0.00 2.90 2.95 0.00 0.00 6.90 7.69 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 83 Q 7.81 4.46 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.99 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 84 I 8.11 4.21 1.43 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.62 0.00 0.00 85 I 8.18 4.21 1.25 0.00 0.00 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0.00 1.86 1.77 0.00 3.15 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 111 T 8.58 3.42 4.22 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 1.17 0.00 0.00 112 L 7.61 4.51 0.00 1.73 1.73 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.19 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 0.00 114 V 7.79 3.66 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 0.96 0.00 0.00 0.89 0.00 0.00 115 G 7.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.25 4.04 0.00 1.91 2.00 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 117 R 7.93 3.95 0.00 2.04 1.94 0.00 3.16 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 118 L 8.07 3.98 0.00 1.89 1.74 0.87 0.73 0.00 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0.00 0.00 0.00 0.00 137 E 8.28 4.97 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.93 0.00 138 T 8.78 4.76 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 1.38 0.00 0.00 139 Q 8.41 5.38 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 140 N 9.10 4.35 0.00 2.99 3.03 0.00 0.00 6.93 6.57 0.00 0.00 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 N 8.14 4.82 0.00 2.92 3.04 0.00 0.00 5.87 8.04 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 0.00 142 N 7.84 4.72 0.00 2.66 2.70 0.00 0.00 6.80 7.28 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 0.00 143 V 7.53 3.54 2.06 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 1.06 0.00 0.00 1.00 0.00 0.00 144 A 7.87 3.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.75 3.56 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 146 C 7.87 3.60 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.29 3.97 0.00 1.69 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.60 7.81 148 F 8.06 3.98 0.00 2.81 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 0.00 149 Y 7.44 3.51 0.00 1.60 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 0.00 0.00 0.00 150 E 7.77 4.23 0.00 2.22 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 0.00 2.41 2.57 0.00 151 K 7.90 4.08 0.00 1.75 1.80 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.60 7.81 152 C 7.45 4.39 0.00 3.09 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 0.00 153 G 8.04 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 0.00 154 F 8.33 4.82 0.00 3.03 3.39 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 0.00 155 V 9.19 4.95 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 0.91 0.00 0.00 1.12 0.00 0.00 156 I 8.29 3.77 1.64 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.74 0.00 0.00 157 G 9.16 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 7.94 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 0.00 159 F 8.08 5.55 0.00 2.75 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 0.00 160 D 8.90 4.59 0.00 2.86 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 9.25 4.55 0.00 3.17 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 0.00 162 L 8.08 4.70 0.00 1.75 1.74 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.13 3.56 2.23 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 0.04 0.00 0.00 0.87 0.00 0.00 164 Y 7.64 4.75 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 K 8.39 4.41 0.00 1.92 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.67 7.81 166 G 8.14 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.62 4.34 0.00 1.80 1.78 1.04 0.97 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 0.00 168 N 7.78 4.52 0.00 2.74 2.67 0.00 0.00 6.89 7.10 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 *170 T 8.36 4.36 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 0.00 171 S 7.74 4.37 0.00 3.99 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 0.00 172 D 8.48 4.98 0.00 2.73 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 0.00 173 E 8.17 4.38 0.00 2.02 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 2.34 0.00 174 V 9.02 4.67 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 1.13 0.00 0.00 175 A 8.70 4.75 0.82 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 0.00 176 I 8.60 4.72 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.40 0.00 0.00 177 Y 8.76 4.97 0.00 3.03 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 0.00 178 W 8.75 5.42 0.00 2.68 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 0.00 179 Y 9.60 5.18 0.00 2.99 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 0.00 180 L 9.17 4.64 0.00 0.27 0.62 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 181 H 8.72 4.57 0.00 3.26 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 7.94 4.68 0.00 2.86 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 0.00 183 D 8.77 4.61 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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.