NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5280 8.3349 116.8045 58.8345 64.2309 172.1761 2 S 4.6519 8.0740 116.9155 56.0769 66.9722 172.7961 3 F 4.6799 9.4948 125.2559 58.8075 40.7805 173.8408 4 S 4.1329 7.5350 118.5788 57.7791 66.5126 172.9102 5 W 5.1738 7.4141 117.9647 56.0779 30.5444 172.5358 6 D 3.8676 8.8234 118.0273 53.5418 44.7474 174.0915 7 N 5.1493 8.7132 119.6397 52.9174 39.0938 176.4976 8 C 4.3984 9.1640 120.9831 59.2364 39.2837 174.5621 9 D 4.6486 7.6972 117.2598 56.4216 42.3803 175.9762 10 E 3.0353 7.5023 114.3894 57.2827 32.0760 178.0499 11 G 3.9441 8.8015 103.3918 45.9361 0.0000 174.1358 12 K 4.4972 8.3555 120.6574 55.4788 33.7811 175.4755 13 D 5.0632 7.6221 117.6266 52.1035 44.1928 174.3593 14 P 4.2968 0.0000 0.0000 64.6521 31.8359 175.5538 15 A 5.2264 8.1021 121.3438 50.1979 20.4359 176.6717 16 V 4.6970 8.9265 115.3731 59.8804 36.7370 174.4731 17 I 4.3064 8.4611 123.6676 60.6738 37.5644 176.2099 18 R 4.5852 8.4694 124.3143 57.5712 31.6395 176.5449 19 S 4.9674 7.2505 109.7648 57.5086 66.2892 173.5054 20 L 4.6747 8.1236 121.7231 54.3701 44.8368 174.1417 21 T 4.8154 8.7988 115.6792 59.9667 72.6260 172.8604 22 L 4.6462 7.3808 124.8555 53.9037 44.5608 174.6548 23 E 4.8630 9.1844 125.8087 53.6715 34.1896 173.9110 24 P 4.6946 0.0000 0.0000 62.4168 33.3017 175.0115 25 D 4.6342 8.3542 118.1624 51.5823 42.7117 172.9397 26 P 4.7468 0.0000 0.0000 62.6700 32.7146 175.8904 27 I 4.1201 8.8139 122.2357 61.1945 38.4311 175.0903 28 I 4.9206 8.3364 127.5679 59.9468 38.2506 175.4251 29 V 4.4905 8.4125 126.3529 59.1616 34.1645 174.1664 30 P 4.3913 0.0000 0.0000 61.6592 32.3732 176.2176 31 G 3.9355 7.4795 105.3643 45.3050 0.0000 171.0813 32 N 5.5273 8.0689 116.1382 51.6707 42.2050 174.4064 33 V 4.6982 8.7806 112.7093 60.0666 36.4649 174.7588 34 T 5.1379 9.2149 120.4529 61.8509 71.0544 173.2816 35 L 5.3210 9.2916 128.2723 53.2546 45.9438 175.1490 36 S 5.2549 8.5938 119.2799 56.9956 66.7916 173.4971 37 V 4.8623 7.7331 119.7314 61.3284 34.9683 172.8213 *39 G 4.1621 8.5478 106.8413 46.9100 0.0000 171.8022 40 S 5.3509 8.8210 113.0978 57.5892 66.8193 173.3001 41 T 5.8485 9.1243 115.2500 60.0631 70.4355 174.3713 42 S 4.5260 8.9978 121.7125 59.4327 64.0486 174.1887 43 V 4.6509 7.4019 113.4921 58.6065 34.8483 173.9747 44 P 4.6283 0.0000 0.0000 62.9327 32.4207 176.1377 45 L 4.8305 9.4139 124.0666 53.3494 43.3613 175.6144 46 S 5.0227 8.4344 117.3837 56.1641 66.8097 173.8670 47 S 4.3315 8.8150 115.9743 58.4427 62.6996 172.5872 48 P 4.5850 0.0000 0.0000 61.9086 32.4768 174.3173 49 L 5.0661 8.5714 124.2730 53.2799 44.3987 174.3600 50 K 5.0364 9.2753 128.7630 54.7215 34.7213 174.8441 51 V 4.7191 8.8180 127.2473 61.2646 34.1293 173.6651 52 D 5.1367 9.1169 128.6205 52.5347 43.3384 175.2419 53 L 5.1798 8.9824 123.9640 52.7945 45.1049 175.8391 54 V 4.4745 8.7505 122.7159 61.1597 34.2625 173.6909 55 L 5.1925 9.0119 131.1464 53.4892 44.2466 174.9983 56 E 5.3889 9.5910 124.8490 54.5603 34.2650 174.3710 57 K 4.8189 8.9064 122.8683 54.3365 36.0086 174.6832 58 E 3.5339 8.3409 128.1864 55.5752 30.6885 175.7833 59 V 3.9192 8.4397 126.2547 61.8831 34.0978 175.0075 60 A 3.6753 9.5150 130.7849 53.3357 15.9077 177.6425 61 G 3.7963 8.2187 105.4187 46.4849 0.0000 173.8097 62 L 4.7175 7.4944 119.1411 52.3616 45.8476 175.6997 63 W 4.9457 8.6729 120.9147 55.7302 30.1454 175.7243 64 I 4.4797 8.5157 127.0271 59.1364 38.7993 175.4477 65 K 4.5613 8.7828 128.8603 56.5992 33.1064 175.7932 66 I 4.5310 8.9219 129.0345 58.9853 38.7637 173.8877 67 P 4.7133 0.0000 0.0000 62.7154 32.8807 175.7123 68 C 4.7894 8.5157 121.0739 56.5351 43.9581 173.1319 69 T 4.4527 9.0723 122.8258 63.3112 72.3422 173.4372 70 D 4.4565 9.7674 127.1594 55.6028 39.2995 173.5971 71 Y 4.1285 7.7044 113.5204 58.3988 37.2412 169.9984 72 I 4.4877 7.5902 121.3540 60.3155 39.5524 174.0789 73 G 3.6992 8.5673 108.5008 44.9420 0.0000 173.5687 74 S 4.9317 8.0390 112.5248 57.6371 60.1828 174.0652 75 C 4.3326 7.7029 119.2076 56.8190 42.3145 174.3826 76 T 4.7127 7.8375 117.5427 61.8905 70.8217 173.7167 77 F 4.8280 9.0520 126.9695 55.8110 39.7811 176.7166 78 E 3.9949 9.1625 124.7641 59.1658 29.8934 177.6673 79 H 4.9866 7.9052 115.1991 52.6494 29.5263 173.2606 80 F 4.2663 9.7947 125.8853 61.3405 39.4909 175.6716 81 C 4.3071 8.3154 115.9136 59.9604 39.8274 175.3302 82 D 4.1890 8.0059 118.4185 57.0524 40.9657 177.8966 83 V 3.6554 7.3474 118.2428 65.8919 31.8683 177.7444 84 L 3.9214 7.5680 118.7186 57.4970 41.1062 179.4086 85 D 4.5069 7.4904 114.4497 55.2055 40.5404 177.3925 *87 L 4.2752 7.8539 120.4976 54.5175 43.5140 177.5390 88 I 4.5108 7.3672 117.7531 58.0234 38.1930 172.8748 89 P 4.3077 0.0000 0.0000 62.4690 31.9502 176.4635 90 T 3.8966 8.2290 116.2339 64.4805 68.9443 175.5235 91 G 3.9804 8.6214 109.7926 45.9711 0.0000 172.8538 92 E 4.6181 7.4567 119.0773 52.8614 31.4651 174.1396 93 P 4.4292 0.0000 0.0000 62.7481 31.9356 176.8346 94 C 4.5124 8.4422 117.1014 56.2775 36.5186 172.2435 95 P 4.5501 0.0000 0.0000 62.3212 31.6780 176.2148 96 E 4.3407 8.4473 120.6369 56.0385 30.0195 175.8320 97 P 4.6414 0.0000 0.0000 63.1983 31.7891 177.7678 98 L 4.1313 7.9153 120.4038 58.2566 41.5487 179.0303 99 R 3.8982 7.9999 118.4524 59.8544 29.8148 178.6639 100 T 3.7389 7.6421 114.2400 66.0645 68.3443 175.1644 101 Y 4.5944 7.3584 115.9522 56.8719 38.2465 175.9110 102 G 3.9922 7.7004 106.5952 46.4461 0.0000 174.0619 103 L 4.5725 7.9865 119.2166 52.9420 42.5579 175.5382 104 P 4.6482 0.0000 0.0000 62.9453 31.9864 175.3070 105 C 5.1432 8.4592 111.2941 55.5258 43.1711 173.3614 106 H 4.8948 7.5222 115.4733 54.3586 32.2974 173.8960 107 C 3.7671 8.3246 119.8054 55.7857 40.8753 171.5029 108 P 4.7390 0.0000 0.0000 62.6360 32.3938 175.6437 109 F 4.5864 9.2816 122.0835 56.0249 40.0541 175.4483 110 K 4.6297 8.9109 126.0449 55.7978 32.8814 176.3761 111 E 4.2090 8.9988 123.8562 57.1651 30.4729 177.5236 112 G 3.7452 7.6003 107.3577 44.6826 0.0000 171.8673 113 T 5.1682 7.6718 116.1872 61.9378 71.1717 173.7477 114 Y 4.7788 9.1586 122.3083 56.2717 41.4106 174.9920 115 S 4.7450 8.8191 117.5494 56.3984 65.7499 172.5594 116 L 4.3951 8.8469 129.5337 52.4371 43.8703 174.0247 117 P 4.5765 0.0000 0.0000 61.7289 32.4435 176.4514 118 K 4.0051 8.5250 119.9567 57.8264 32.3079 176.4121 119 S 4.7721 9.1614 119.7219 56.8349 67.9227 172.6851 120 E 4.9726 8.4219 120.7385 55.4325 30.7561 175.9469 121 F 4.8160 8.9879 121.9525 55.5422 43.4193 174.1994 122 V 4.3396 8.4886 123.3183 62.0213 32.2825 175.4720 123 V 3.8946 8.9204 129.1464 61.6963 31.5954 174.0021 124 P 4.2054 0.0000 0.0000 62.8938 31.8349 175.4443 125 D 4.5191 8.4534 120.8579 53.8629 41.4954 176.2812 126 L 4.1232 8.4963 126.0501 54.7995 42.1515 178.6953 127 E 3.9083 8.8245 117.8854 56.6455 29.9934 174.3072 128 L 4.2581 7.4130 117.3354 53.6314 42.5895 174.8016 129 P 4.3121 0.0000 0.0000 62.3581 32.0694 177.5716 130 S 4.2904 9.2989 121.3718 60.9003 62.6022 177.0826 131 W 4.3346 8.1864 116.5372 58.6597 27.7795 176.7690 132 L 3.9820 7.7157 121.5673 56.4354 42.0001 177.2851 133 T 4.1655 7.5134 108.6942 64.1269 69.4665 175.0802 134 T 4.2511 8.0327 119.0804 62.6141 69.0101 174.5365 135 G 3.8814 7.6579 112.8685 45.2621 0.0000 170.0559 136 N 5.4147 7.7475 116.2905 51.8284 41.1890 174.0529 137 Y 5.6166 9.4804 119.8627 56.5318 42.8613 174.6023 138 R 5.0978 9.2922 119.2561 54.6162 34.8052 174.2597 139 I 5.1006 8.8955 122.5612 59.2328 41.8383 173.2306 140 E 5.0651 9.1472 129.7580 54.3456 32.5906 174.2465 141 S 4.9621 9.0873 121.5193 56.5139 65.3400 172.4224 142 V 4.7016 8.9556 127.9529 61.0328 33.7099 173.7688 143 L 5.2053 8.9745 130.7520 53.4961 44.2210 175.2373 144 S 5.0603 8.9257 119.5363 57.3423 67.4922 172.8192 145 S 4.8413 8.8578 114.4685 56.4646 65.4408 174.1570 146 S 3.7123 9.9202 124.7383 59.6852 60.2465 173.4321 147 G 3.9790 8.3865 107.4921 45.0291 0.0000 173.5811 148 K 4.3578 7.9040 120.4528 54.8187 33.7991 176.1254 149 R 4.1378 8.6159 124.4413 56.6326 30.5466 175.4954 150 L 4.5688 9.0449 125.5192 55.8433 44.3966 176.4961 151 G 4.2891 7.7337 102.5400 46.0071 0.0000 173.3282 152 C 5.5371 8.1713 120.7974 55.2722 47.0220 172.6823 153 I 5.2917 8.7363 119.0980 59.1228 41.3565 174.2785 154 K 5.0856 9.2292 122.3303 54.8272 35.8745 175.4255 155 I 5.1540 9.0441 124.0975 59.4087 41.7703 174.0803 156 A 5.1843 8.7833 126.7808 50.1878 21.7211 175.1214 157 A 5.1540 9.2324 122.8088 50.7323 23.4887 175.0386 158 S 5.4799 8.9278 114.7925 56.8212 66.5897 173.2198 159 L 5.3050 9.2092 122.8240 52.8523 45.3351 175.5382 160 K 4.6406 9.5000 123.5378 54.7959 34.9464 175.4055 161 G 4.0785 9.1156 117.2396 45.0100 0.0000 173.0625 162 I 3.9637 8.3683 125.8503 61.0365 37.8951 175.5983 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 S 8.33 4.53 0.00 4.09 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 2 S 8.07 4.65 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.49 4.68 0.00 3.12 3.16 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 4 S 7.54 4.13 0.00 3.73 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.41 5.17 0.00 3.46 2.80 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 6 D 8.82 3.87 0.00 2.42 2.33 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 7 N 8.71 5.15 0.00 2.71 2.78 0.00 0.00 6.97 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 9.16 4.40 0.00 2.79 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 9 D 7.70 4.65 0.00 2.64 2.53 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 10 E 7.50 3.04 0.00 2.02 1.65 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 2.38 2.40 0.00 11 G 8.80 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.36 4.50 0.00 1.65 2.01 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.36 7.81 13 D 7.62 5.06 0.00 2.62 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 14 P 0.00 4.30 0.00 2.24 2.32 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 15 A 8.10 5.23 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 16 V 8.93 4.70 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 17 I 8.46 4.31 1.55 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 0.01 0.00 0.00 18 R 8.47 4.59 0.00 1.80 2.03 0.00 3.46 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 19 S 7.25 4.97 0.00 3.94 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 20 L 8.12 4.67 0.00 0.80 0.25 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.80 4.82 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 22 L 7.38 4.65 0.00 0.71 0.13 0.76 0.84 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 23 E 9.18 4.86 0.00 1.84 1.73 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 2.15 2.11 0.00 24 P 0.00 4.69 0.00 2.08 2.09 0.00 3.70 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 25 D 8.35 4.63 0.00 2.65 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 26 P 0.00 4.75 0.00 2.18 2.12 0.00 3.85 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 2.03 2.05 0.00 27 I 8.81 4.12 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.91 0.00 0.00 28 I 8.34 4.92 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.93 0.00 0.00 29 V 8.41 4.49 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 0.80 0.00 0.00 0.91 0.00 0.00 30 P 0.00 4.39 0.00 2.07 2.04 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 31 G 7.48 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.07 5.53 0.00 2.64 2.72 0.00 0.00 6.61 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 33 V 8.78 4.70 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 0.74 0.00 0.00 1.06 0.00 0.00 34 T 9.21 5.14 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 1.25 0.00 0.00 35 L 9.29 5.32 0.00 1.61 1.52 0.64 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.59 5.25 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.73 4.86 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 1.03 0.00 0.00 0.79 0.00 0.00 *39 G 8.55 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 0.00 0.00 0.00 40 S 8.82 5.35 0.00 3.96 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 41 T 9.12 5.85 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 1.43 0.00 0.00 42 S 9.00 4.53 0.00 3.93 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 43 V 7.40 4.65 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 0.73 0.00 0.00 0.97 0.00 0.00 44 P 0.00 4.63 0.00 1.99 2.04 0.00 3.68 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 2.06 2.52 0.00 45 L 9.41 4.83 0.00 1.77 1.72 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.43 5.02 0.00 3.84 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 47 S 8.81 4.33 0.00 3.92 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 48 P 0.00 4.59 0.00 2.22 2.26 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 49 L 8.57 5.07 0.00 1.89 1.74 0.99 0.77 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 50 K 9.28 5.04 0.00 1.81 1.64 0.00 1.62 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.48 7.81 51 V 8.82 4.72 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 0.58 0.00 0.00 0.26 0.00 0.00 52 D 9.12 5.14 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.98 5.18 0.00 1.49 1.49 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.75 4.47 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 63 W 8.67 4.95 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.52 4.48 1.86 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 1.04 0.91 0.92 0.00 0.00 65 K 8.78 4.56 0.00 1.81 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.50 7.81 66 I 8.92 4.53 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.96 0.00 0.00 67 P 0.00 4.71 0.00 2.10 2.18 0.00 3.71 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 2.08 1.97 0.00 68 C 8.52 4.79 0.00 3.02 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 69 T 9.07 4.45 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 1.22 0.00 0.00 70 D 9.77 4.46 0.00 2.77 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 71 Y 7.70 4.13 0.00 3.28 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 72 I 7.59 4.49 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 0.93 0.00 0.00 73 G 8.57 3.70 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 0.00 0.00 0.00 74 S 8.04 4.93 0.00 3.76 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 75 C 7.70 4.33 0.00 2.22 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 0.00 0.00 0.00 76 T 7.84 4.71 4.11 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 1.22 0.00 0.00 77 F 9.05 4.83 0.00 3.21 3.18 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 78 E 9.16 3.99 0.00 2.05 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 2.32 2.36 0.00 79 H 7.91 4.99 0.00 3.20 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.99 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0.93 0.00 0.00 89 P 0.00 4.31 0.00 2.13 2.00 0.00 3.86 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 90 T 8.23 3.90 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 1.15 0.00 0.00 91 G 8.62 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 0.00 0.00 0.00 92 E 7.46 4.62 0.00 1.94 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 0.00 2.21 2.19 0.00 93 P 0.00 4.43 0.00 2.21 2.04 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 94 C 8.44 4.51 0.00 3.01 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 95 P 0.00 4.55 0.00 2.22 1.98 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 96 E 8.45 4.34 0.00 1.90 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 2.28 2.19 0.00 97 P 0.00 4.64 0.00 2.42 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.52 4.89 0.00 2.93 3.05 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.32 3.77 0.00 2.91 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 0.00 108 P 0.00 4.74 0.00 2.07 2.03 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 109 F 9.28 4.59 0.00 3.02 2.95 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 0.00 110 K 8.91 4.63 0.00 1.85 1.83 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.49 7.81 111 E 9.00 4.21 0.00 2.24 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 0.00 2.31 2.31 0.00 112 G 7.60 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.67 5.17 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 1.26 0.00 0.00 114 Y 9.16 4.78 0.00 2.72 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 0.00 115 S 8.82 4.75 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.85 4.40 0.00 1.74 1.46 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.58 0.00 1.53 1.80 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.83 0.00 118 K 8.52 4.01 0.00 1.62 1.80 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 119 S 9.16 4.77 0.00 3.77 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 0.00 120 E 8.42 4.97 0.00 1.71 1.80 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 2.20 2.23 0.00 121 F 8.99 4.82 0.00 2.89 2.86 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 0.00 122 V 8.49 4.34 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 1.03 0.00 0.00 1.01 0.00 0.00 123 V 8.92 3.89 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 0.77 0.00 0.00 0.97 0.00 0.00 124 P 0.00 4.21 0.00 2.06 1.99 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 125 D 8.45 4.52 0.00 2.63 2.58 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 0.00 126 L 8.50 4.12 0.00 1.70 1.64 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.82 3.91 0.00 2.04 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 0.00 2.20 2.26 0.00 128 L 7.41 4.26 0.00 1.59 1.40 0.85 0.92 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 0.00 129 P 0.00 4.31 0.00 1.08 1.89 0.00 3.26 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 1.91 2.05 0.00 130 S 9.30 4.29 0.00 3.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.19 4.33 0.00 3.58 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 0.00 132 L 7.72 3.98 0.00 0.27 1.26 0.56 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.51 4.17 4.23 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 1.18 0.00 0.00 134 T 8.03 4.25 4.32 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 1.27 0.00 0.00 135 G 7.66 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 0.00 136 N 7.75 5.41 0.00 2.66 2.96 0.00 0.00 6.61 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 9.48 5.62 0.00 3.04 2.92 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 0.00 138 R 9.29 5.10 0.00 1.33 1.43 0.00 2.21 0.00 0.00 2.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 139 I 8.90 5.10 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.76 0.92 0.00 0.00 140 E 9.15 5.07 0.00 1.98 1.70 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 2.14 2.16 0.00 141 S 9.09 4.96 0.00 3.82 3.60 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 0.00 142 V 8.96 4.70 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 0.92 0.00 0.00 0.90 0.00 0.00 143 L 8.97 5.21 0.00 1.65 1.44 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.93 5.06 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.86 4.84 0.00 3.89 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 9.92 3.71 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.39 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 0.00 0.00 0.00 148 K 7.90 4.36 0.00 1.94 1.96 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.37 7.81 149 R 8.62 4.14 0.00 1.77 1.89 0.00 3.24 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 150 L 9.04 4.57 0.00 1.70 1.67 0.95 0.43 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 0.00 151 G 7.73 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 0.00 0.00 0.00 0.00 152 C 8.17 5.54 0.00 2.95 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 0.00 153 I 8.74 5.29 1.95 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 1.19 0.87 0.98 0.00 0.00 154 K 9.23 5.09 0.00 1.60 1.60 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.34 7.81 155 I 9.04 5.15 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 1.10 0.00 0.00 156 A 8.78 5.18 1.09 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 0.00 157 A 9.23 5.15 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 0.00 158 S 8.93 5.48 0.00 3.88 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 0.00 159 L 9.21 5.30 0.00 1.85 1.58 0.63 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.50 4.64 0.00 1.83 1.67 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 161 G 9.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.37 3.96 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.