NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4312 8.3349 115.2939 58.1307 63.7794 174.4076 6 K 4.2687 7.8701 120.0310 52.1588 30.9406 174.5907 7 L 4.3131 8.3917 125.6183 55.0263 42.9151 176.4550 8 A 4.8738 10.6000 121.2877 50.8495 20.3231 176.4304 9 V 4.8039 8.6508 122.5856 61.0989 34.5936 174.3436 10 A 4.8494 8.6094 128.2708 49.9721 22.8778 175.1248 11 V 4.6965 8.4579 118.9468 61.2884 34.8308 174.3778 12 V 5.0336 9.2065 128.3883 61.4740 34.6902 174.2897 13 C 4.7064 8.5862 120.9106 57.3727 32.8236 172.5414 14 S 4.7663 8.9460 111.8211 59.9661 61.8866 174.4622 15 S 4.8893 7.9811 116.7785 57.8486 63.4707 174.5195 16 N 4.6943 8.8911 126.0608 52.1432 38.4806 174.3812 *18 N 4.6854 8.5606 122.8023 52.5002 40.3521 175.4347 19 R 4.0933 9.2981 116.0687 59.7009 31.2850 179.2235 20 S 4.2905 7.9708 109.2020 58.9079 62.2851 175.2337 *22 E 4.2345 8.2237 123.6611 56.3938 31.2316 177.0316 23 A 4.0170 7.5044 118.4005 53.8537 19.2978 178.7132 24 H 4.1402 8.2545 117.2516 59.3748 29.8236 176.8734 25 N 4.2100 8.1932 118.2735 56.8981 38.7583 176.6808 26 F 3.7568 8.0040 118.7828 60.5345 39.0218 177.7076 27 L 4.3132 8.4020 118.1604 57.1201 41.3374 179.5035 28 A 4.0007 7.9859 121.2590 55.1115 18.2461 179.5341 29 K 3.7562 7.9424 115.7619 59.7109 32.1706 178.2117 30 K 4.2745 7.7664 116.2163 56.7215 31.9627 178.6383 31 G 3.8733 8.1305 108.1248 45.5851 0.0000 175.0490 32 F 4.2183 7.6364 118.7332 57.6040 39.6999 176.2448 33 N 4.9215 8.9640 122.5291 52.8165 36.8722 173.3770 34 V 5.6070 7.7780 120.2768 58.7490 34.9129 175.7483 35 R 4.7093 8.2137 119.7663 54.4203 34.7497 173.9823 36 S 5.2400 8.0398 114.3384 57.1533 65.7303 172.6895 37 Y 5.0690 8.7960 118.3110 56.9990 43.1037 173.6785 38 G 5.1611 8.7953 107.2303 44.9613 0.0000 173.1065 39 T 4.7330 8.8447 107.8155 59.7641 70.8337 174.7427 40 G 4.2760 8.2526 110.7338 45.5410 0.0000 173.4322 41 E 4.2451 8.7361 118.8910 58.9938 29.7736 176.7363 42 R 4.4411 7.6688 114.7035 55.1963 34.7320 174.0238 43 V 4.1946 8.1599 120.5192 61.6178 32.8901 175.3363 44 K 5.2469 8.8308 127.1356 54.5204 35.4424 174.7565 45 L 4.4096 8.0849 119.6010 54.7017 43.6959 172.6742 46 P 4.5894 0.0000 0.0000 62.2745 30.7918 177.0802 47 G 4.1461 9.3002 111.8911 47.3286 0.0000 173.0649 *49 A 3.9752 7.6146 121.7962 52.7975 19.4782 176.7426 50 F 3.7055 8.9703 113.7165 58.2243 35.9187 174.7198 51 D 4.3727 7.6843 126.0971 54.4096 45.1436 176.4237 52 K 4.4706 8.0406 119.1842 54.2018 35.1180 173.5578 53 P 4.9980 0.0000 0.0000 61.5271 33.1120 173.8493 54 N 5.0470 7.9574 113.5334 51.9697 42.3579 173.9698 55 V 4.4592 7.6441 120.8500 61.5323 35.3136 173.5168 56 Y 4.6564 8.4180 122.1994 56.6946 43.0947 173.4238 57 E 4.5883 8.3725 120.6019 54.2439 32.3829 176.0081 58 F 5.0360 7.7289 122.2393 54.4007 37.2809 174.9458 59 G 4.6885 7.2201 107.7208 46.8876 0.0000 172.3692 60 T 4.0489 8.5476 118.7073 63.3787 68.8972 174.5638 61 K 3.9652 8.8508 126.0891 57.3669 32.8677 177.9024 62 Y 3.9430 9.4703 122.1435 60.9768 37.7768 178.7164 63 E 3.9223 8.2806 119.8809 59.5622 29.6679 178.4609 64 D 4.3922 7.8291 118.3119 57.3039 40.9135 179.0566 65 I 3.2895 7.3966 119.7815 64.3159 36.9836 177.2020 66 Y 3.9994 7.7253 119.0215 61.1150 38.8749 177.8271 67 R 4.0723 8.1313 119.0252 59.8028 30.0596 177.3521 68 D 4.3405 7.8293 117.2836 57.7843 41.1650 178.5178 69 L 3.4442 7.5128 118.5804 57.6736 41.2062 178.9961 70 E 3.9092 7.6619 118.0283 59.4895 29.6319 178.8313 71 S 4.2769 7.8965 112.3387 61.3616 63.2396 175.7940 72 K 4.1924 7.6553 121.1978 56.7743 32.6252 177.3249 73 D 4.6948 8.1439 116.6545 53.4931 43.3537 176.1863 74 K 4.0967 8.6140 124.7000 57.9242 32.0210 177.0333 75 E 4.0550 7.9707 120.8191 58.1626 30.4177 177.9858 76 F 3.6068 8.5917 119.8314 61.8761 39.7166 177.5069 77 Y 4.9629 8.2903 112.9831 59.0233 37.5534 177.4439 78 T 4.3396 7.9088 110.0407 63.2527 70.6005 176.6996 79 Q 3.8297 7.5497 122.4233 58.2933 29.1332 178.6775 80 N 4.5256 7.8706 112.7944 52.7164 37.5924 176.4018 81 G 4.1902 8.0030 113.7996 47.1417 0.0000 177.1935 82 L 3.8257 8.1261 120.8620 57.9877 42.9668 178.1689 83 L 3.9097 8.4495 119.1323 58.0992 41.7348 180.1154 84 H 4.4965 8.2642 117.1032 56.3876 29.3465 176.9906 *86 L 4.3561 8.1193 118.9586 54.4386 43.3143 178.8163 87 D 4.3368 8.5479 117.5324 57.4203 40.8978 178.2233 88 R 3.8808 8.0975 118.1147 59.1573 30.1703 177.5948 89 N 4.2697 7.9132 116.2160 55.0988 38.5417 177.3754 90 R 3.8861 7.3880 116.3589 58.7778 29.4152 177.6800 91 R 4.1883 7.6976 116.0733 56.8952 30.7003 176.3183 92 I 4.1243 7.6100 117.4343 62.1259 38.6381 175.7094 93 K 4.7304 7.3287 115.6445 54.3722 36.3278 176.3560 94 K 4.2558 8.7260 119.6722 59.0800 32.4029 175.7739 95 C 4.9930 7.6451 110.2771 55.6227 32.7129 171.4702 96 P 4.6362 0.0000 0.0000 62.8389 32.0154 175.4574 97 E 4.4280 8.8815 123.7326 55.6939 31.7927 175.0877 98 R 3.8268 8.2392 122.5646 54.7641 31.4456 176.1019 99 F 3.7677 9.6813 130.4344 61.6064 39.5900 177.1541 100 Q 3.2941 8.1623 118.5793 58.8565 28.5926 178.8801 101 D 4.3578 7.6766 116.2212 56.2985 41.2421 176.9694 102 T 4.0467 7.5239 113.8178 62.0647 67.6866 173.8647 103 K 4.4156 8.3189 123.6316 55.9765 33.3904 176.1830 104 E 4.0798 7.8075 119.3727 55.5738 30.2899 175.9188 105 Q 3.9081 7.6608 120.7295 53.9319 30.9920 174.9049 106 F 5.2523 8.7747 119.0891 56.5762 43.3324 173.3508 107 D 4.9827 9.5884 118.4977 56.0271 43.3051 176.7874 108 I 4.8588 7.7779 120.2116 59.6080 39.9330 174.6796 109 I 4.4382 9.2011 129.8409 59.8840 38.6885 174.9487 110 V 4.7115 8.6384 128.9179 61.4640 33.4028 174.7303 111 T 5.0608 9.0079 117.8939 60.2012 71.4874 174.9258 112 V 4.4421 8.6927 115.6314 60.9504 33.2037 175.3575 113 E 4.6433 7.8125 120.7997 53.1619 32.7567 175.3853 114 E 4.0657 8.8794 124.4694 59.3359 29.7042 179.4793 115 R 3.9592 7.9448 115.8195 59.1819 29.7608 178.5791 116 V 3.5536 7.8783 118.7151 66.1603 31.3941 176.5395 117 Y 4.2191 7.8703 118.1807 61.3516 38.2485 177.7836 118 D 4.0323 7.6734 118.6143 57.5571 41.2255 178.9469 119 L 4.0487 7.8318 118.7642 57.5647 42.0048 178.9138 120 V 3.8345 7.4709 117.7159 65.7177 31.7664 178.0616 121 V 3.2249 7.4194 117.0904 64.7014 32.2335 175.3702 *123 H 4.4556 7.9638 115.0734 56.3952 30.7785 173.7690 *125 E 4.2990 8.2133 117.9447 56.0396 31.2914 177.8223 126 S 4.0205 8.0251 109.0546 59.2483 61.9279 172.9323 *128 E 4.2671 7.8248 118.0783 56.1651 30.3991 174.6265 129 S 4.6886 8.5515 116.1379 57.1310 65.8268 175.1140 130 V 4.4499 8.1924 119.1589 62.1984 31.0260 176.8782 131 D 4.6420 7.9557 119.2087 54.1071 43.6859 176.4543 132 N 4.1342 7.5756 110.3446 54.0930 37.0652 172.1422 133 R 5.0823 7.9019 118.6856 53.0688 33.0519 173.8639 134 P 4.6517 0.0000 0.0000 62.7002 33.1127 176.0461 135 V 4.5686 8.0535 121.0607 61.0548 34.7455 173.1361 136 H 4.9866 9.3550 123.5942 54.8469 30.5007 174.6277 137 V 4.6782 8.4967 122.4779 61.4178 33.6229 173.9018 138 L 4.8171 8.6937 128.8048 52.9181 43.7170 175.1888 139 N 5.3054 8.0052 121.5207 51.2616 41.3382 173.9920 140 V 4.3156 9.0590 125.2061 60.6939 33.5789 173.3102 141 D 4.7867 8.2864 125.9836 54.1836 41.8415 177.1880 142 V 4.1505 7.8633 117.9042 60.8492 34.3024 173.2263 143 V 3.6505 8.5932 126.4654 63.1997 32.0143 176.1357 144 D 4.6962 8.3676 126.8915 52.1621 39.7771 174.5880 145 N 4.8627 7.9221 118.4607 50.8174 40.4273 176.1597 146 A 3.8819 8.9081 123.2808 55.8023 17.8684 179.0785 147 E 4.0490 7.6605 116.3629 58.2314 29.3960 177.6315 148 D 3.9459 8.5057 122.0609 57.4936 41.7301 178.7609 149 A 4.1440 8.0154 120.9926 54.3830 18.0969 177.7890 150 L 3.9490 8.4996 120.0545 55.5829 42.3537 178.6929 *152 G 3.9165 8.2157 107.7837 44.9441 0.0000 175.5894 153 A 3.4846 7.3415 120.4630 54.8405 17.9581 179.9095 154 F 4.0910 7.5640 114.7524 60.7357 38.9269 177.8554 155 V 3.7658 7.9697 115.9244 66.5493 31.3179 177.7109 156 I 3.8257 8.4320 118.8083 64.4446 37.0811 178.4047 157 T 3.9879 7.7736 116.3960 66.4633 68.0834 176.8286 158 D 4.6189 8.5287 115.9444 55.6181 41.3769 176.9504 *160 I 3.8824 7.6813 119.8769 60.7978 39.5807 176.2650 161 N 4.6933 7.8401 119.8852 53.7860 36.4626 174.5330 *164 A 4.3382 7.7844 124.5391 52.1385 21.0457 179.6219 165 K 4.2567 8.2305 110.7137 57.1163 31.3737 176.4768 166 S 4.9832 8.0984 116.1313 56.7045 64.9272 172.6023 167 T 4.4266 8.5443 107.0418 62.5731 70.2761 173.4618 168 D 4.8064 7.6803 121.7751 51.1772 41.3875 174.8544 169 L 4.0846 8.4452 124.1166 57.9606 42.0677 179.3635 170 D 4.4816 7.9305 116.1474 57.8971 40.8417 178.3726 171 N 4.8798 8.1682 114.7743 53.2746 38.8381 175.6551 172 D 4.5249 7.6197 114.0128 52.8100 41.6231 177.1770 173 I 3.6498 8.3172 123.0268 64.5999 37.7676 177.5842 174 D 4.3663 8.0624 119.3464 57.3115 40.6265 178.2055 175 E 3.9568 8.0378 119.3467 59.1329 29.6115 178.7616 176 L 3.9606 7.8810 118.8735 57.8841 41.7789 179.1391 177 I 3.6756 7.7231 119.8338 64.6610 36.8698 177.7611 178 Q 3.9915 7.5580 118.4962 59.5062 28.6840 178.1042 179 E 4.1319 7.9035 118.8771 59.4608 29.5229 179.2335 180 F 4.0747 8.5455 120.5946 61.5485 39.5781 176.8905 181 E 3.9013 8.3869 118.0394 59.5169 28.9511 179.0998 182 E 3.9615 7.6648 117.9825 58.7339 29.6992 178.7480 183 R 4.0012 7.6297 117.6161 58.8135 30.4628 178.3650 184 R 4.0980 7.3762 115.1219 55.1232 30.3132 176.8380 185 K 4.3300 7.6683 116.8840 57.2926 30.3209 175.1173 186 R 4.4353 7.1276 116.1917 54.5926 32.2246 175.8844 187 V 4.2348 8.1108 118.1566 61.5647 32.6222 175.2530 188 I 4.5618 7.6272 128.3290 58.2999 36.6399 175.6274 189 L 4.1589 7.9450 126.3052 55.4702 42.9116 175.3011 190 H 5.4047 8.5448 119.5391 54.7320 33.6817 172.7383 191 S 4.3669 8.3612 113.8923 57.6845 65.7848 174.6220 192 V 4.2306 8.3255 118.4119 60.4995 32.5517 175.2690 193 L 4.7396 8.1244 123.4521 52.8643 46.2914 175.2597 194 F 5.7497 8.1901 117.1500 55.0227 42.8680 174.8792 195 Y 4.5035 8.7093 118.3422 58.3424 37.5695 175.5190 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 5 S 8.33 4.43 0.00 3.86 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 6 K 7.87 4.27 0.00 1.88 1.77 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 7 L 8.39 4.31 0.00 2.08 1.77 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 A 10.60 4.87 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 9 V 8.65 4.80 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 0.87 0.00 0.00 0.85 0.00 0.00 10 A 8.61 4.85 0.51 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 11 V 8.46 4.70 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 0.92 0.00 0.00 0.84 0.00 0.00 12 V 9.21 5.03 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 0.96 0.00 0.00 0.76 0.00 0.00 13 C 8.59 4.71 0.00 3.03 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 14 S 8.95 4.77 0.00 3.98 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 15 S 7.98 4.89 0.00 3.97 3.84 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 16 N 8.89 4.69 0.00 2.99 3.02 0.00 0.00 6.96 7.79 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 *18 N 8.56 4.69 0.00 2.80 2.65 0.00 0.00 7.25 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 19 R 9.30 4.09 0.00 1.92 1.99 0.00 3.27 0.00 0.00 3.58 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 20 S 7.97 4.29 0.00 4.15 4.10 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 *22 E 8.22 4.23 0.00 2.18 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 2.28 2.21 0.00 23 A 7.50 4.02 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 24 H 8.25 4.14 0.00 3.41 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.19 4.21 0.00 2.87 2.97 0.00 0.00 7.19 7.71 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 26 F 8.00 3.76 0.00 3.03 3.09 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 27 L 8.40 4.31 0.00 1.78 1.82 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.99 4.00 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 29 K 7.94 3.76 0.00 1.57 1.77 0.00 1.32 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.44 7.81 30 K 7.77 4.27 0.00 1.91 1.88 0.00 1.97 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.52 7.81 31 G 8.13 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.64 4.22 0.00 3.25 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 33 N 8.96 4.92 0.00 2.93 3.06 0.00 0.00 6.72 7.71 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 34 V 7.78 5.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.89 0.00 0.00 35 R 8.21 4.71 0.00 1.83 1.70 0.00 3.55 0.00 0.00 4.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 36 S 8.04 5.24 0.00 3.80 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 37 Y 8.80 5.07 0.00 2.98 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 38 G 8.80 5.16 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 0.00 39 T 8.84 4.73 4.37 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 1.22 0.00 0.00 40 G 8.25 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 41 E 8.74 4.25 0.00 2.03 2.09 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 2.37 2.32 0.00 42 R 7.67 4.44 0.00 1.59 1.85 0.00 3.15 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 43 V 8.16 4.19 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 0.95 0.00 0.00 -0.17 0.00 0.00 44 K 8.83 5.25 0.00 1.74 1.71 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.19 7.81 45 L 8.08 4.41 0.00 1.84 1.88 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.59 0.00 2.20 2.20 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 47 G 9.30 4.15 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 0.00 0.00 0.00 *49 A 7.61 3.98 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 50 F 8.97 3.71 0.00 3.29 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 51 D 7.68 4.37 0.00 2.63 2.62 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 52 K 8.04 4.47 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.39 7.81 53 P 0.00 5.00 0.00 2.21 2.01 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 54 N 7.96 5.05 0.00 2.68 2.71 0.00 0.00 6.81 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 55 V 7.64 4.46 1.84 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 0.72 0.00 0.00 0.80 0.00 0.00 56 Y 8.42 4.66 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.37 4.59 0.00 1.95 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 2.27 2.44 0.00 58 F 7.73 5.04 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.22 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.65 1.70 0.00 68 D 7.83 4.34 0.00 2.71 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 69 L 7.51 3.44 0.00 1.34 0.87 0.20 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.66 3.91 0.00 2.23 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 2.36 2.33 0.00 71 S 7.90 4.28 0.00 4.07 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 72 K 7.66 4.19 0.00 1.93 2.00 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.48 1.70 7.81 73 D 8.14 4.69 0.00 2.74 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 74 K 8.61 4.10 0.00 1.84 1.88 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 75 E 7.97 4.05 0.00 2.37 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 2.34 2.43 0.00 76 F 8.59 3.61 0.00 3.13 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.29 4.96 0.00 3.14 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 78 T 7.91 4.34 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 1.31 0.00 0.00 79 Q 7.55 3.83 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.49 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 80 N 7.87 4.53 0.00 2.78 2.60 0.00 0.00 6.14 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.00 4.19 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 0.00 82 L 8.13 3.83 0.00 2.12 2.04 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.45 3.91 0.00 1.72 1.44 0.79 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.26 4.50 0.00 3.21 3.36 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 L 8.12 4.36 0.00 2.06 2.01 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.55 4.34 0.00 3.18 2.88 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 88 R 8.10 3.88 0.00 2.01 1.98 0.00 3.41 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 89 N 7.91 4.27 0.00 2.44 1.42 0.00 0.00 6.60 7.68 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 90 R 7.39 3.89 0.00 1.92 2.03 0.00 2.91 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 91 R 7.70 4.19 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 92 I 7.61 4.12 1.69 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 1.16 0.62 0.57 0.00 0.00 93 K 7.33 4.73 0.00 1.78 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 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0.00 0.00 0.00 0.00 130 V 8.19 4.45 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 0.76 0.00 0.00 0.93 0.00 0.00 131 D 7.96 4.64 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 0.00 132 N 7.58 4.13 0.00 2.72 2.84 0.00 0.00 7.00 8.70 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 0.00 133 R 7.90 5.08 0.00 2.08 2.12 0.00 3.04 0.00 0.00 3.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.07 0.00 134 P 0.00 4.65 0.00 2.04 2.25 0.00 3.91 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 2.08 2.19 0.00 135 V 8.05 4.57 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 0.13 0.00 0.00 1.07 0.00 0.00 136 H 9.36 4.99 0.00 3.12 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.50 4.68 2.25 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 1.13 0.00 0.00 0.94 0.00 0.00 138 L 8.69 4.82 0.00 1.49 1.41 0.77 0.14 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 0.00 139 N 8.01 5.31 0.00 2.10 1.83 0.00 0.00 6.44 8.41 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 0.00 140 V 9.06 4.32 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 0.95 0.00 0.00 0.88 0.00 0.00 141 D 8.29 4.79 0.00 2.59 2.62 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 0.00 142 V 7.86 4.15 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 0.62 0.00 0.00 0.97 0.00 0.00 143 V 8.59 3.65 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 0.76 0.00 0.00 0.99 0.00 0.00 144 D 8.37 4.70 0.00 2.67 2.59 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 0.00 145 N 7.92 4.86 0.00 2.97 2.88 0.00 0.00 5.94 7.85 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 0.00 146 A 8.91 3.88 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 0.00 147 E 7.66 4.05 0.00 2.06 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 2.39 2.37 0.00 148 D 8.51 3.95 0.00 2.73 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 0.00 149 A 8.02 4.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.50 3.95 0.00 1.65 1.73 0.73 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *152 G 8.22 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 0.00 153 A 7.34 3.48 0.83 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 0.00 154 F 7.56 4.09 0.00 3.09 2.96 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 0.00 155 V 7.97 3.77 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 156 I 8.43 3.83 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.80 0.00 0.00 157 T 7.77 3.99 4.56 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 1.39 0.00 0.00 158 D 8.53 4.62 0.00 2.87 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 *160 I 7.68 3.88 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 -0.07 0.00 0.00 161 N 7.84 4.69 0.00 3.02 2.95 0.00 0.00 6.93 8.63 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 *164 A 7.78 4.34 1.63 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 0.00 165 K 8.23 4.26 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.73 7.81 166 S 8.10 4.98 0.00 3.77 3.76 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 0.00 167 T 8.54 4.43 4.26 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 1.23 0.00 0.00 168 D 7.68 4.81 0.00 2.61 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 0.00 169 L 8.45 4.08 0.00 1.71 1.59 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 170 D 7.93 4.48 0.00 2.86 2.82 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 0.00 171 N 8.17 4.88 0.00 2.87 2.85 0.00 0.00 7.02 8.13 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 0.00 172 D 7.62 4.52 0.00 2.84 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 0.00 173 I 8.32 3.65 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 1.00 0.00 0.00 174 D 8.06 4.37 0.00 2.76 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 0.00 175 E 8.04 3.96 0.00 2.09 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 0.00 2.39 2.48 0.00 176 L 7.88 3.96 0.00 2.00 1.66 0.96 0.79 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 0.00 177 I 7.72 3.68 2.01 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 1.61 1.11 0.93 0.00 0.00 178 Q 7.56 3.99 0.00 2.12 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 179 E 7.90 4.13 0.00 2.15 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 2.62 2.51 0.00 180 F 8.55 4.07 0.00 3.09 3.22 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 0.00 181 E 8.39 3.90 0.00 2.07 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 0.00 2.41 2.69 0.00 182 E 7.66 3.96 0.00 1.94 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 2.30 2.36 0.00 183 R 7.63 4.00 0.00 1.60 1.75 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 184 R 7.38 4.10 0.00 1.42 1.74 0.00 3.29 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.78 0.00 185 K 7.67 4.33 0.00 1.82 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.31 7.81 186 R 7.13 4.44 0.00 1.84 1.87 0.00 3.10 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 187 V 8.11 4.23 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 0.83 0.00 0.00 0.92 0.00 0.00 188 I 7.63 4.56 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.80 0.89 0.00 0.00 189 L 7.94 4.16 0.00 1.01 1.30 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 190 H 8.54 5.40 0.00 3.00 3.11 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.36 4.37 0.00 3.86 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 0.00 192 V 8.33 4.23 1.60 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 0.47 0.00 0.00 0.82 0.00 0.00 193 L 8.12 4.74 0.00 1.23 1.24 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.19 5.75 0.00 2.86 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 0.00 195 Y 8.71 4.50 0.00 2.93 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 * Residues marked with a * may have inaccurate shift predictions.