NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1377 8.2993 120.1071 56.1633 33.3034 175.8460 3 I 3.7120 8.2223 115.8751 60.8902 38.1375 174.0460 4 Y 4.6894 7.3310 120.0808 55.6599 39.9529 176.5309 5 T 4.1560 8.5988 114.2669 61.1219 70.2299 176.0444 6 K 4.1019 8.3495 119.4170 56.5051 30.0251 177.2876 7 N 4.3403 8.2162 116.7587 56.0159 38.7365 176.0435 8 G 4.4420 8.0005 105.1015 45.3759 0.0000 174.9445 9 D 4.4442 8.0390 120.3768 56.3718 40.8936 177.3211 10 K 4.3840 8.1590 116.8847 56.0205 32.3621 177.0043 11 G 3.9993 8.4712 107.3519 45.4754 0.0000 173.2674 12 Q 5.0248 7.4711 117.7505 54.5927 32.2288 174.1499 13 T 4.7519 8.6304 116.4414 61.8913 71.2992 173.3438 14 R 4.8457 8.4391 125.8157 56.1259 30.8874 177.4764 15 I 4.5133 7.4779 114.6252 59.4640 39.7280 174.7326 16 I 3.6081 7.6616 121.7671 62.8708 37.5196 176.9207 17 G 3.7716 8.4046 112.5524 44.5550 0.0000 172.5716 18 K 4.1892 8.2627 116.4133 57.0263 33.0532 177.1760 19 Q 4.0137 7.8828 121.4447 56.1361 29.5321 174.3298 20 I 4.9278 8.1569 125.2177 59.5695 39.3619 174.8457 21 L 4.8767 8.6849 125.9847 52.6805 46.0385 175.7524 22 Y 4.5069 8.4156 118.2050 57.8813 38.6366 177.5444 23 K 4.0112 9.1957 122.7110 58.9646 32.2883 177.8209 24 N 4.6940 8.1203 114.1796 52.6430 38.0265 175.2872 25 D 4.4671 8.1902 120.1410 54.2990 42.9427 175.1691 26 P 4.2332 0.0000 0.0000 65.9355 31.0525 178.8934 27 R 3.8636 8.6066 118.8521 59.4308 29.9939 178.6278 28 V 3.6129 7.8278 117.3827 65.8995 31.4672 177.6345 29 A 4.0099 8.4408 120.6599 54.9796 18.3214 179.4795 30 A 3.9167 8.2700 119.3995 55.4575 18.5413 179.0054 31 Y 4.0733 8.2910 118.3069 61.0322 38.7881 178.8376 32 G 3.6460 8.5860 106.7264 47.8451 0.0000 175.5734 33 E 4.0238 8.5111 121.2543 59.1204 29.4168 179.6089 34 V 3.5670 7.6783 118.1684 65.8409 31.5104 177.5656 35 D 4.2097 7.9116 117.8296 57.2962 40.9735 177.8777 36 E 3.9498 8.5615 120.2398 59.0622 29.5486 178.3231 37 L 4.0228 8.2579 120.7862 58.3134 42.1077 178.3071 38 N 4.3811 8.6058 117.2174 57.1587 38.7819 176.9053 39 S 4.1869 8.3844 116.4159 61.3451 62.8948 176.5196 40 W 4.0859 8.5537 131.3843 60.3773 30.3989 178.2191 41 V 3.7314 8.4425 118.8211 65.8459 31.1067 178.1772 42 G 3.6283 8.3111 105.5962 47.9942 0.0000 174.9380 43 Y 3.8018 7.7761 121.1068 60.4851 39.0211 177.9889 44 T 3.6273 7.7304 116.9220 66.3464 68.5634 176.1644 45 K 3.8103 8.2452 122.1672 59.7608 31.9449 178.6539 46 S 4.1176 7.5192 111.9726 60.4047 62.8317 174.7599 47 L 4.2464 7.2163 120.8332 54.6748 42.0355 177.0184 48 I 3.7980 7.5291 120.9676 61.2459 37.6942 174.9501 49 N 5.2099 8.4665 121.6335 50.6582 40.0509 174.8427 50 S 4.1098 8.7130 111.5424 62.1464 62.8866 175.4672 51 H 4.2523 8.1014 116.9633 57.7864 28.6330 176.0818 52 T 4.5311 7.8140 107.2405 60.8635 69.5184 175.3334 53 Q 3.9395 8.2002 125.1374 59.5496 29.0411 178.9235 54 V 3.8409 7.8068 109.7464 63.6534 31.9975 176.7353 55 L 4.4966 8.1527 119.3028 55.8368 42.4647 178.6870 56 S 4.1395 8.2320 114.0228 61.6318 62.2916 175.7000 57 N 4.4210 8.2834 118.7037 56.4549 38.2957 177.1224 58 E 4.4784 8.3746 118.4604 59.3474 29.9432 178.9365 59 L 4.1768 8.0871 119.5784 57.7528 41.8420 179.1038 60 E 4.0328 8.3359 118.5234 59.5787 29.4256 179.1358 61 E 3.9233 8.4168 119.1303 59.2879 29.6920 178.7898 62 I 3.9654 8.3085 120.1169 64.7418 37.2083 178.3466 63 Q 4.2276 8.3690 118.7440 59.0895 28.3877 179.0132 64 Q 4.0379 8.1062 118.7500 59.0276 28.6929 178.8855 65 L 4.0592 8.1698 120.0091 57.8254 41.6283 179.5838 66 L 4.0151 8.6700 119.3871 57.6140 41.5293 179.2561 67 F 4.0626 8.3940 120.8021 61.4519 39.3411 176.9824 68 D 4.4385 8.1423 118.3370 57.4889 40.5930 178.3685 69 C 3.8231 8.2401 117.7164 62.6749 28.0968 176.5008 70 G 3.4290 8.0722 107.1414 47.9228 0.0000 174.8559 71 H 4.0156 7.8290 119.8024 59.4387 30.0961 176.6911 72 D 4.7213 8.1799 120.2191 57.3300 40.4057 178.7806 73 L 4.0898 8.0577 118.6927 57.2400 41.9139 177.8321 74 A 4.2198 7.9596 120.0143 52.5386 18.7258 176.3568 75 T 4.7690 7.5048 114.1208 60.8758 69.8958 172.9069 76 P 4.4145 0.0000 0.0000 62.2736 32.0255 177.7113 77 A 3.6891 8.6919 124.8746 54.5318 18.5513 178.0644 78 D 4.6471 7.8183 112.9780 52.9499 39.8060 175.6856 79 D 4.3871 7.6940 123.2782 54.8115 41.2411 176.5871 *80 E 4.1279 8.9339 126.1967 59.5867 30.0263 175.5810 *81 R 4.2495 7.9473 116.4202 58.0010 29.9237 178.3502 82 H 5.0311 8.2406 112.4919 54.3805 31.9185 172.9106 83 S 4.6149 8.2952 117.8229 56.0532 66.5868 173.8887 84 F 4.9003 8.3255 123.0114 58.6524 39.1270 176.3658 85 K 4.4958 9.6269 125.2244 54.5887 33.6807 175.1683 86 F 4.4757 9.1100 120.2947 57.5010 39.9103 174.7502 87 K 4.6028 7.4667 127.1634 54.2938 34.5167 176.8551 88 Q 4.0359 9.0607 122.7800 58.8493 28.7246 178.1398 89 E 3.9569 8.1301 120.5113 59.6072 29.4635 179.2256 90 Q 3.9816 7.8020 116.6418 59.0079 28.9412 176.3645 91 P 4.3622 0.0000 0.0000 65.4567 31.2560 178.7525 92 T 4.1907 8.5524 115.1238 66.5421 68.4293 177.1164 93 V 3.7602 8.1040 120.3367 65.6417 31.5605 177.7423 94 W 4.2339 8.5733 128.2778 60.5936 30.5689 177.8331 95 L 3.5424 8.3235 118.8538 57.8287 40.9970 179.3588 96 E 3.9327 8.4084 118.6000 59.4324 29.3206 179.2711 97 E 3.8577 8.2486 118.5824 59.3056 29.4469 179.6700 98 K 3.2360 7.4083 117.8062 59.1559 32.0566 179.2880 99 I 3.5559 7.9597 120.3285 64.5179 36.9190 178.1468 100 D 4.2708 8.2029 119.6718 57.3999 40.5677 178.4783 101 N 4.1883 7.9322 116.8347 56.7904 38.1321 177.2125 102 Y 4.0174 7.8055 118.1950 61.2432 37.6018 178.7218 103 T 3.9547 7.8152 116.4327 66.4449 68.5841 176.3441 104 Q 4.1207 7.6777 118.7035 58.9880 28.9513 178.2190 105 V 3.6077 7.2829 119.5640 64.5237 31.8191 176.9269 106 V 3.6263 6.4494 110.1609 59.6484 32.2323 174.2462 107 P 4.3169 0.0000 0.0000 62.5681 31.7761 176.3943 108 A 4.2533 8.3914 124.9225 52.0340 19.0960 177.4383 109 V 4.5011 8.2271 114.7878 60.7653 36.2065 173.7984 110 K 4.0964 8.6040 123.1338 55.6795 29.5360 179.5782 111 K 4.4137 8.3557 115.7995 54.1884 33.8417 175.3694 112 F 4.4870 8.3430 118.3746 58.1169 40.0117 174.6708 113 I 4.8023 8.6541 123.3131 60.4672 38.1691 175.2617 114 L 4.8381 8.7789 127.5940 52.3788 43.5207 174.8607 115 P 3.7721 0.0000 0.0000 61.5252 32.0066 176.9636 116 G 4.4646 9.1420 108.6869 43.6923 0.0000 171.4767 117 G 4.1252 8.0083 108.5263 44.5239 0.0000 177.7080 118 T 4.1220 9.5413 118.6675 60.8909 70.3809 174.5483 119 Q 3.9774 8.4808 121.8192 59.2393 29.0035 178.0730 120 L 3.9063 7.8530 120.6130 58.1406 42.2443 178.5686 121 A 4.0008 8.2946 121.0535 55.2782 18.3362 179.8221 122 S 4.1363 8.6115 113.8785 61.7088 62.8834 176.7056 123 A 4.5038 8.4968 123.8228 55.4572 18.1454 179.7309 124 L 4.0728 8.4864 117.8312 58.2004 41.6616 179.4928 125 H 4.2310 8.4379 116.4785 58.7225 28.5222 177.9786 126 V 3.3890 8.0891 120.0315 65.7664 31.2059 177.7781 127 A 3.7697 8.4334 120.9704 55.0271 18.0255 179.3331 128 R 4.0707 8.0086 117.3522 60.1419 30.0994 178.8789 129 T 3.9602 7.7188 108.8479 64.7526 68.8038 176.7932 130 I 3.6193 7.9001 122.9501 64.2413 36.9818 178.3259 131 T 3.9486 8.2562 117.0507 66.9454 68.3552 176.7820 132 R 3.9364 8.0336 119.8007 59.0652 29.9079 179.0945 133 R 3.8378 8.2438 118.4722 59.3878 30.0352 178.3507 134 A 3.9831 8.3190 120.9380 55.1389 18.2905 179.0272 135 E 3.8586 8.5244 118.1005 59.6680 29.6183 179.2938 136 R 3.8973 8.0918 117.9157 59.4247 30.1458 178.8981 137 Q 3.9730 7.9601 119.1776 58.9895 28.9612 178.1615 138 I 3.7197 8.0504 121.3342 64.3087 37.1334 178.5229 139 V 3.5645 8.0222 119.2369 65.9191 30.5510 177.6898 140 Q 3.9523 8.2760 119.4798 59.1422 28.7734 178.2039 141 L 4.0474 8.0151 121.1603 58.5005 41.9563 178.5190 142 M 4.2374 7.9041 118.1558 58.1581 32.1944 177.9417 143 R 4.1471 7.9919 116.3196 57.7914 30.3693 176.9134 144 E 4.6131 7.4440 117.2154 56.6072 31.4454 175.8421 145 E 4.7809 8.3197 116.7923 54.4104 33.8366 174.4423 146 Q 4.3397 8.6599 120.8897 55.8797 29.2871 175.7752 147 I 4.5497 8.0076 114.9595 58.4265 40.8583 174.8799 148 N 4.0333 7.7174 118.5980 52.7183 37.7142 175.2101 149 Q 4.0824 8.5079 126.2448 58.7658 28.7719 178.2704 150 D 4.5035 8.3243 120.3474 57.3615 40.7142 178.9293 151 V 3.3857 7.8725 118.7527 65.8736 31.4256 177.8795 152 L 3.9622 7.8720 119.5647 58.0472 42.0060 178.6929 153 I 3.7281 7.7903 119.7313 64.4404 37.0377 178.1061 154 F 4.3197 8.4260 121.2625 61.6297 39.0704 177.2776 155 I 3.5769 8.0135 118.4445 63.9874 36.6337 177.5688 156 N 4.4676 8.4544 118.4247 56.9616 38.8495 176.8617 157 R 3.8991 8.0382 119.8439 59.3019 30.1129 178.1553 158 L 3.6697 7.9119 120.7538 57.9432 41.9510 179.1522 159 S 4.4614 7.8262 113.1379 61.4019 62.9386 176.2828 160 D 4.3961 8.0515 122.3034 57.1396 40.6431 177.5759 161 Y 3.9282 7.8991 120.1055 60.9465 38.6837 178.4944 162 F 4.3625 8.1735 118.4374 60.2814 38.9734 177.4077 163 F 3.9808 8.4470 120.1959 61.2632 39.2762 176.9384 164 A 3.9986 8.3506 120.1117 55.3109 18.2312 179.5049 165 A 3.7927 8.2444 119.3001 54.9061 18.3314 179.7033 166 A 3.8221 8.1933 119.7573 55.4447 18.3874 179.9888 167 R 4.0148 7.5874 117.8067 58.9744 30.0284 178.7450 168 Y 4.0962 8.0556 118.9992 60.5726 38.8794 177.7741 169 A 3.7773 8.3691 122.1419 55.0602 18.3594 179.2828 170 N 4.2802 8.1722 114.8987 56.6896 38.6568 176.7559 171 Y 4.0597 8.1272 120.9070 60.9557 38.6158 178.3961 172 L 3.7208 7.9566 118.5286 56.5662 41.5745 177.7800 173 E 4.3488 7.0303 115.3145 55.2762 29.7568 175.6254 174 Q 3.3039 7.5755 116.1938 56.9442 26.8130 173.2585 175 Q 4.4993 7.9572 118.4983 53.4875 30.4265 173.4106 176 P 4.4598 0.0000 0.0000 62.1512 32.1751 176.1012 177 D 4.5147 8.4865 121.2977 54.6923 41.6857 175.5814 178 M 4.4387 8.4918 122.0254 55.2974 33.2257 175.2323 179 L 5.3407 8.3639 122.4602 52.8301 45.1251 175.5302 180 Y 4.3081 9.4489 125.0869 57.6285 39.5003 175.1871 181 R 4.1209 8.1612 128.5446 55.5794 30.8140 176.7848 182 N 4.4637 8.4962 119.3423 52.4524 37.4317 170.9354 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 2 K 8.30 4.14 0.00 1.31 0.80 0.00 1.35 0.00 0.00 1.04 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.23 7.81 3 I 8.22 3.71 1.93 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 1.62 0.84 0.94 0.00 0.00 4 Y 7.33 4.69 0.00 3.09 2.98 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 5 T 8.60 4.16 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 1.20 0.00 0.00 6 K 8.35 4.10 0.00 2.08 2.23 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.54 1.62 7.81 7 N 8.22 4.34 0.00 2.73 2.88 0.00 0.00 6.87 6.98 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 8 G 8.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.44 0.00 2.82 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 10 K 8.16 4.38 0.00 1.74 1.84 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.37 7.81 11 G 8.47 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 12 Q 7.47 5.02 0.00 1.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.66 0.00 0.00 0.00 0.00 0.00 1.38 1.95 0.00 13 T 8.63 4.75 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 1.21 0.00 0.00 14 R 8.44 4.85 0.00 1.63 1.69 0.00 3.27 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.19 0.00 15 I 7.48 4.51 1.95 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 1.04 0.79 0.00 0.00 16 I 7.66 3.61 1.86 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 1.14 0.55 0.64 0.00 0.00 17 G 8.40 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 18 K 8.26 4.19 0.00 1.74 1.85 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 19 Q 7.88 4.01 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 20 I 8.16 4.93 1.78 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 1.29 0.97 0.77 0.00 0.00 21 L 8.68 4.88 0.00 1.50 1.52 1.02 0.96 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 22 Y 8.42 4.51 0.00 2.96 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 23 K 9.20 4.01 0.00 1.79 1.93 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.53 7.81 24 N 8.12 4.69 0.00 2.84 2.94 0.00 0.00 5.97 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 25 D 8.19 4.47 0.00 2.91 2.66 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 26 P 0.00 4.23 0.00 2.32 2.32 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.31 0.00 27 R 8.61 3.86 0.00 1.91 2.04 0.00 3.08 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 28 V 7.83 3.61 2.34 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 1.13 0.00 0.00 0.97 0.00 0.00 29 A 8.44 4.01 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 30 A 8.27 3.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.29 4.07 0.00 3.09 3.17 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 32 G 8.59 3.65 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 0.00 0.00 0.00 33 E 8.51 4.02 0.00 1.98 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 2.58 2.46 0.00 34 V 7.68 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 35 D 7.91 4.21 0.00 2.53 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 36 E 8.56 3.95 0.00 2.06 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 0.00 2.35 2.37 0.00 37 L 8.26 4.02 0.00 1.84 1.94 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.61 4.38 0.00 3.02 2.98 0.00 0.00 7.29 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 39 S 8.38 4.19 0.00 4.12 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 40 W 8.55 4.09 0.00 3.50 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 41 V 8.44 3.73 2.37 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 1.20 0.00 0.00 1.26 0.00 0.00 42 G 8.31 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.78 3.80 0.00 2.65 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.73 3.63 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 1.23 0.00 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0.00 0.00 0.00 0.00 2.46 2.48 0.00 120 L 7.85 3.91 0.00 1.76 1.61 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.29 4.00 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 0.00 122 S 8.61 4.14 0.00 4.13 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 0.00 123 A 8.50 4.50 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.49 4.07 0.00 1.85 1.81 0.96 1.28 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 0.00 125 H 8.44 4.23 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.09 3.39 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 -0.32 0.00 0.00 0.85 0.00 0.00 127 A 8.43 3.77 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.01 4.07 0.00 2.08 2.33 0.00 3.34 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 129 T 7.72 3.96 4.18 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 1.25 0.00 0.00 130 I 7.90 3.62 1.73 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.49 0.88 0.00 0.00 131 T 8.26 3.95 4.59 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 1.34 0.00 0.00 132 R 8.03 3.94 0.00 2.04 1.97 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 133 R 8.24 3.84 0.00 1.83 2.07 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 134 A 8.32 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 0.00 135 E 8.52 3.86 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 136 R 8.09 3.90 0.00 2.04 1.96 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 137 Q 7.96 3.97 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 138 I 8.05 3.72 2.03 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 1.40 0.55 0.90 0.00 0.00 139 V 8.02 3.56 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 1.00 0.00 0.00 0.96 0.00 0.00 140 Q 8.28 3.95 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 141 L 8.02 4.05 0.00 1.83 1.86 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.90 4.24 0.00 2.20 2.10 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 2.63 2.46 0.00 143 R 7.99 4.15 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 144 E 7.44 4.61 0.00 2.24 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 2.25 2.42 0.00 145 E 8.32 4.78 0.00 1.96 1.81 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 2.25 2.45 0.00 146 Q 8.66 4.34 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 147 I 8.01 4.55 1.81 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 1.30 0.64 0.93 0.00 0.00 148 N 7.72 4.03 0.00 1.44 2.13 0.00 0.00 6.87 6.94 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 0.00 149 Q 8.51 4.08 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 150 D 8.32 4.50 0.00 3.12 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 0.00 151 V 7.87 3.39 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 0.95 0.00 0.00 0.69 0.00 0.00 152 L 7.87 3.96 0.00 1.80 1.84 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.79 3.73 2.16 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 1.46 0.82 1.00 0.00 0.00 154 F 8.43 4.32 0.00 3.45 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.01 3.58 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 0.93 0.00 0.00 156 N 8.45 4.47 0.00 2.99 2.98 0.00 0.00 6.79 7.94 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 0.00 157 R 8.04 3.90 0.00 2.07 1.80 0.00 3.19 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 158 L 7.91 3.67 0.00 1.12 1.57 0.35 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 159 S 7.83 4.46 0.00 4.34 4.21 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 0.00 0.00 0.00 160 D 8.05 4.40 0.00 2.89 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 0.00 161 Y 7.90 3.93 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 8.17 4.36 0.00 3.37 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 0.00 163 F 8.45 3.98 0.00 3.21 3.27 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 0.00 164 A 8.35 4.00 1.43 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 0.00 165 A 8.24 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.19 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.59 4.01 0.00 1.92 1.92 0.00 2.95 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 0.00 168 Y 8.06 4.10 0.00 2.71 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 0.00 169 A 8.37 3.78 1.29 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 0.00 0.00 170 N 8.17 4.28 0.00 2.92 3.13 0.00 0.00 6.65 6.93 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 0.00 171 Y 8.13 4.06 0.00 3.03 3.15 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 0.00 0.00 0.00 172 L 7.96 3.72 0.00 1.53 1.62 0.53 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 173 E 7.03 4.35 0.00 1.91 1.78 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 2.04 2.11 0.00 174 Q 7.58 3.30 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 175 Q 7.96 4.50 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 176 P 0.00 4.46 0.00 2.08 1.97 0.00 3.73 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 2.02 2.10 0.00 177 D 8.49 4.51 0.00 2.73 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 0.00 178 M 8.49 4.44 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 179 L 8.36 5.34 0.00 1.52 1.60 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 9.45 4.31 0.00 3.02 3.17 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 0.00 181 R 8.16 4.12 0.00 1.86 1.69 0.00 3.42 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 182 N 8.50 4.46 0.00 2.74 2.61 0.00 0.00 6.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.