NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3351 0.0000 0.0000 62.6632 32.5229 176.6880 6 T 4.1046 8.1678 112.0883 60.5734 71.6067 174.2292 7 I 3.8373 8.2504 121.0411 64.5234 37.6773 179.0201 8 N 4.2334 8.2267 117.4178 57.1792 38.5043 176.3900 9 Q 4.0270 8.2953 119.1745 59.2337 28.5972 179.1861 10 L 4.0272 8.0502 119.8217 57.5305 41.4141 179.6115 11 V 3.6231 7.4740 117.5393 65.2801 31.5448 176.6655 12 R 3.8872 8.1084 116.8165 57.4719 29.4350 177.5295 13 K 3.8029 6.0552 122.9995 59.8134 33.1634 177.0488 14 G 4.1900 7.9512 106.6561 45.0723 0.0000 173.4714 15 R 4.1009 8.2832 119.1300 55.6386 30.8547 175.7790 16 E 4.5888 8.3445 121.3181 53.8781 31.2767 176.0807 17 K 4.1048 8.5216 125.7543 56.5238 32.2396 176.9509 18 V 3.4915 7.7752 115.7527 61.1296 32.0871 172.1737 19 R 3.8509 7.9060 129.8867 55.5794 30.7935 175.8241 20 K 4.6764 8.3389 123.3818 54.6495 35.2506 175.7044 21 K 4.1203 8.2867 119.8190 55.8274 32.9575 177.5717 22 S 4.2303 8.5064 117.9467 57.5249 60.9758 174.1200 23 K 3.7798 8.4109 129.4253 58.5900 32.1103 176.7581 24 V 4.2269 7.7167 117.9715 61.2373 34.2208 173.5096 25 P 4.5818 0.0000 0.0000 61.4356 29.8041 175.8166 26 A 4.0316 7.8737 122.2805 53.0621 18.8925 177.4372 27 L 3.8027 7.5068 117.5712 55.2229 41.6309 174.3472 28 K 3.9459 9.5491 116.9140 56.2551 29.9514 175.0625 29 G 3.9906 8.0363 104.1768 46.2268 0.0000 173.9868 30 A 4.2761 8.2851 121.1075 50.6348 19.4367 176.8884 31 P 4.1268 0.0000 0.0000 65.3839 31.4478 176.2709 32 F 5.0314 7.7235 112.5849 56.3359 43.7144 173.6333 33 R 4.7271 8.7926 118.2501 55.1931 33.5221 174.2387 34 R 4.8986 8.6348 125.5695 55.8459 32.4053 174.8804 35 G 3.9856 8.4323 107.7320 45.9275 0.0000 172.6186 36 V 4.8238 7.8825 121.3057 61.1702 34.2372 174.5266 37 C 4.6920 8.8930 124.1619 60.1646 28.2807 173.2414 38 T 4.2219 8.9390 119.7751 63.8446 67.5794 174.7013 39 V 4.4854 7.6032 119.7149 61.1233 35.6531 173.7777 40 V 4.5933 8.2911 124.0860 60.9337 31.0526 175.5510 41 R 4.6906 8.1761 129.5051 55.7568 33.3929 175.7526 42 T 4.6573 8.3557 112.1997 62.0475 68.9516 174.4823 43 V 4.3979 8.5475 123.3986 60.4340 34.1168 175.1349 44 T 4.8592 8.1235 111.4417 59.5061 71.1845 172.6614 45 P 4.6112 0.0000 0.0000 61.2310 32.9304 177.0565 46 K 4.5542 8.0416 121.8029 55.5663 30.6928 177.9984 47 K 3.6341 8.9724 115.8750 58.3251 31.0640 174.1202 48 P 4.5426 0.0000 0.0000 63.2110 32.9428 176.3784 49 N 4.7188 7.8066 116.6661 53.0584 39.6982 173.9413 50 S 4.4486 7.5199 111.0687 57.6046 65.3182 173.8062 51 A 4.3855 7.7912 127.7319 52.7193 22.7131 175.6599 52 L 4.9588 8.2526 110.8554 53.1548 42.5052 175.7472 53 R 4.2146 8.8396 121.2938 56.0345 31.8318 176.0881 54 K 4.3848 8.8105 123.4640 56.0231 32.7490 176.0701 55 V 4.8535 8.4035 123.9037 61.1356 36.0393 173.7812 56 A 4.9820 8.8263 123.3599 50.3020 22.9009 175.4424 57 K 4.6612 8.6790 121.5803 55.7583 33.6713 176.1613 58 V 4.6580 9.2749 126.0848 61.1060 34.7109 174.6767 59 R 4.6983 9.2403 129.1068 54.7519 30.4298 175.6405 60 L 4.7142 8.2956 126.6029 54.4303 42.3852 177.5859 61 T 4.0851 8.2294 110.0136 63.9197 69.3075 174.9540 62 S 4.5839 8.0561 118.1143 60.0659 63.5313 174.4160 63 G 3.9581 8.1638 104.2904 47.6473 0.0000 173.8019 64 Y 4.4028 7.4927 118.9302 58.9176 39.2474 174.1142 65 E 5.9349 8.4204 122.5077 57.1845 32.4221 177.8210 66 V 4.7962 7.6360 118.9948 59.8393 36.2847 174.3549 67 T 4.6302 8.6832 113.6310 62.1953 70.4099 172.9353 68 A 5.0623 9.2930 124.3237 50.7594 23.0935 175.2770 69 Y 4.5600 8.9490 123.5379 57.6299 40.4981 174.7713 70 I 4.4126 6.3870 125.7451 58.6462 39.0900 173.8042 71 P 4.2090 0.0000 0.0000 62.9399 31.7264 176.7573 72 G 4.1553 8.7710 108.5579 45.2069 0.0000 172.0172 73 E 4.5048 8.6112 117.7866 55.1121 31.3265 173.1248 74 G 4.0834 8.8992 119.2908 45.2499 0.0000 172.4913 75 H 5.0019 8.2624 117.6631 54.6397 31.1423 172.7401 76 N 5.0073 8.4741 112.3506 52.4200 36.9322 174.2004 77 L 4.6122 7.5158 117.4937 54.0165 44.2693 176.3388 78 Q 4.6808 8.5171 121.4396 53.4469 32.0893 175.9738 79 E 4.1559 8.7842 118.1712 58.7209 29.4454 176.4732 80 H 4.9295 8.3574 111.6334 56.1242 31.7208 173.7354 81 S 4.8725 8.1118 115.2833 57.9934 64.5480 172.9657 82 V 4.5954 8.4597 121.0864 61.3946 33.2989 174.5011 83 V 4.6171 9.1147 127.9644 61.0162 35.1483 173.5786 84 L 5.1855 8.4642 127.1410 53.6390 44.4455 174.8622 85 I 4.8036 9.1350 127.1999 60.3203 39.1475 175.3698 86 R 4.3030 10.1621 126.8822 58.4413 31.6686 176.9673 87 G 3.9114 10.0866 110.9209 46.5864 0.0000 172.3317 88 G 3.9079 7.7963 110.3098 43.9193 0.0000 172.3695 89 R 4.0531 8.4556 121.5467 55.9473 30.2677 175.8161 90 V 4.1261 7.8179 116.2754 60.9928 32.7641 177.4204 91 K 4.2391 8.4008 132.7276 55.3372 31.2802 176.5702 92 D 4.6987 7.9307 115.1020 53.9931 46.8221 173.4664 93 L 4.7674 7.7392 119.8852 51.0381 41.5225 172.2948 94 P 4.3662 0.0000 0.0000 63.6325 31.9417 175.3385 95 G 4.0752 8.9834 113.9455 46.1289 0.0000 174.4663 96 V 4.0200 7.6056 119.4285 61.6191 31.9818 175.8832 97 R 4.4852 8.4695 122.9382 55.8653 32.6224 173.9952 98 Y 4.8816 7.6400 114.8072 57.0547 42.5106 173.5679 99 H 5.4526 9.0737 118.9258 54.2257 32.2197 173.6496 100 I 4.6586 8.3471 122.5266 60.6600 37.8126 176.2019 101 V 3.7455 8.6588 128.2731 62.4858 31.0934 176.1194 102 R 3.9480 8.5583 127.1669 57.1719 30.5413 176.6051 103 G 4.4178 8.6250 106.4796 45.5302 0.0000 173.8301 104 V 4.0962 7.1693 117.0543 61.7312 35.2161 175.4193 105 Y 3.5869 8.3748 124.0917 58.9580 36.2769 171.5603 106 D 4.3872 8.4728 123.8410 56.5558 41.0843 175.3964 107 A 4.6350 8.4132 124.5381 50.3860 19.5961 176.2772 108 A 4.6631 8.5358 126.6810 50.9430 19.9874 177.1800 109 G 4.0131 8.6127 110.3017 46.3050 0.0000 172.9338 110 V 3.9778 7.9828 120.3231 62.4656 32.1046 175.4562 111 K 4.0690 8.7021 129.2555 56.7091 33.3295 176.5952 112 D 4.6685 8.7892 125.3815 55.0883 38.2433 173.5516 113 R 4.4617 7.2063 118.8869 55.3976 31.1119 176.3110 114 K 4.6479 8.1904 118.9905 56.6635 36.1366 179.2928 115 K 4.5316 7.6059 120.2496 54.9819 31.1941 179.0717 116 S 4.2150 8.6957 124.4616 59.8490 62.7697 174.1571 117 R 5.0544 8.3413 121.3084 54.2135 32.0321 176.1774 118 S 4.1216 8.0249 112.8340 61.4705 62.9793 173.9970 119 K 4.1591 7.7821 119.2545 58.1446 32.7809 177.9330 120 Y 3.6337 8.5449 118.2543 57.2300 36.0552 170.6852 121 G 3.9588 8.0352 106.0644 46.1292 0.0000 174.1453 122 T 4.0866 7.6077 115.9356 62.9109 69.0184 174.8468 123 K 4.1803 8.3043 124.3829 55.8549 32.8428 176.8705 124 K 4.0395 8.4311 123.3098 55.8266 32.6434 175.0687 125 P 4.6947 0.0000 0.0000 61.3573 33.3909 174.1273 126 K 4.5686 8.1132 118.7402 54.8296 33.8591 175.7511 127 E 3.9990 8.8486 124.2571 57.7538 29.9468 175.2925 128 A 3.3682 7.6846 122.7574 52.0893 15.0345 176.9893 *129 A 4.1172 8.0159 122.7469 52.0698 18.9464 177.0982 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 P 0.00 4.34 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 8.17 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 I 8.25 3.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.91 0.00 0.00 8 N 8.23 4.23 0.00 2.75 2.83 0.00 0.00 7.12 6.72 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 9 Q 8.30 4.03 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.05 4.03 0.00 1.80 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.47 3.62 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 0.83 0.00 0.00 0.95 0.00 0.00 12 R 8.11 3.89 0.00 1.96 1.73 0.00 3.29 0.00 0.00 3.22 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 13 K 6.06 3.80 0.00 1.82 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 G 7.95 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 15 R 8.28 4.10 0.00 1.81 1.87 0.00 3.33 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.34 4.59 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 17 K 8.52 4.10 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 18 V 7.78 3.49 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 0.66 0.00 0.00 0.93 0.00 0.00 19 R 7.91 3.85 0.00 1.94 1.96 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 K 8.34 4.68 0.00 1.86 1.74 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 21 K 8.29 4.12 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 22 S 8.51 4.23 0.00 3.85 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 23 K 8.41 3.78 0.00 1.70 1.79 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.43 7.81 24 V 7.72 4.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.59 0.00 0.00 25 P 0.00 4.58 0.00 2.15 2.19 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 26 A 7.87 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.51 3.80 0.00 1.77 1.70 0.81 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.55 3.95 0.00 1.83 1.84 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 29 G 8.04 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 30 A 8.29 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.13 0.00 2.29 2.10 0.00 3.70 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 2.12 2.13 0.00 32 F 7.72 5.03 0.00 2.87 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 33 R 8.79 4.73 0.00 1.91 1.66 0.00 3.33 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 34 R 8.63 4.90 0.00 2.07 1.79 0.00 2.84 0.00 0.00 2.95 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 35 G 8.43 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 36 V 7.88 4.82 2.05 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 1.03 0.00 0.00 0.89 0.00 0.00 37 C 8.89 4.69 0.00 2.99 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 38 T 8.94 4.22 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 1.31 0.00 0.00 39 V 7.60 4.49 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 0.94 0.00 0.00 0.94 0.00 0.00 40 V 8.29 4.59 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 0.93 0.00 0.00 0.95 0.00 0.00 41 R 8.18 4.69 0.00 1.98 1.72 0.00 3.21 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 42 T 8.36 4.66 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 1.23 0.00 0.00 43 V 8.55 4.40 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 0.72 0.00 0.00 0.99 0.00 0.00 44 T 8.12 4.86 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 1.23 0.00 0.00 45 P 0.00 4.61 0.00 1.96 2.29 0.00 3.67 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 2.04 2.09 0.00 46 K 8.04 4.55 0.00 1.95 0.88 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.35 7.81 47 K 8.97 3.63 0.00 1.74 1.61 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 48 P 0.00 4.54 0.00 2.21 2.14 0.00 3.80 0.00 0.00 3.65 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 49 N 7.81 4.72 0.00 2.73 2.81 0.00 0.00 6.70 7.57 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 50 S 7.52 4.45 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.79 4.39 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 52 L 8.25 4.96 0.00 1.50 1.58 0.94 0.88 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 53 R 8.84 4.21 0.00 1.95 2.18 0.00 3.23 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 54 K 8.81 4.38 0.00 1.65 1.70 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 55 V 8.40 4.85 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 1.11 0.00 0.00 1.15 0.00 0.00 56 A 8.83 4.98 1.20 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 0.00 0.00 57 K 8.68 4.66 0.00 1.73 1.76 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.41 7.81 58 V 9.27 4.66 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 0.96 0.00 0.00 0.98 0.00 0.00 59 R 9.24 4.70 0.00 1.90 1.89 0.00 3.19 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 60 L 8.30 4.71 0.00 1.59 1.59 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.23 4.09 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 1.25 0.00 0.00 62 S 8.06 4.58 0.00 4.30 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 63 G 8.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.49 4.40 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.42 5.93 0.00 1.99 1.85 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 2.06 2.11 0.00 66 V 7.64 4.80 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 0.89 0.00 0.00 0.57 0.00 0.00 67 T 8.68 4.63 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 1.26 0.00 0.00 68 A 9.29 5.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.95 4.56 0.00 3.01 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 70 I 6.39 4.41 1.69 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 1.15 0.78 0.86 0.00 0.00 71 P 0.00 4.21 0.00 1.72 1.63 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.04 0.00 72 G 8.77 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 73 E 8.61 4.50 0.00 1.95 1.88 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 2.24 2.30 0.00 74 G 8.90 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 75 H 8.26 5.00 0.00 3.13 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.47 5.01 0.00 2.80 2.87 0.00 0.00 5.72 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 77 L 7.52 4.61 0.00 1.38 1.52 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.52 4.68 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 79 E 8.78 4.16 0.00 1.96 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 2.30 2.50 0.00 80 H 8.36 4.93 0.00 2.95 3.24 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 81 S 8.11 4.87 0.00 3.78 3.79 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 82 V 8.46 4.60 2.05 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 0.72 0.00 0.00 0.86 0.00 0.00 83 V 9.11 4.62 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 0.92 0.00 0.00 0.95 0.00 0.00 84 L 8.46 5.19 0.00 1.66 1.32 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.13 4.80 2.07 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 1.03 0.86 0.90 0.00 0.00 86 R 10.16 4.30 0.00 1.90 2.13 0.00 3.35 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.97 0.00 87 G 10.09 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.80 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.46 4.05 0.00 1.82 1.88 0.00 2.98 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 90 V 7.82 4.13 1.93 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 0.75 0.00 0.00 0.63 0.00 0.00 91 K 8.40 4.24 0.00 1.69 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 92 D 7.93 4.70 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.74 4.77 0.00 1.68 1.55 0.92 0.92 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 94 P 0.00 4.37 0.00 2.03 2.03 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 95 G 8.98 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 96 V 7.61 4.02 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 1.04 0.00 0.00 1.01 0.00 0.00 97 R 8.47 4.49 0.00 1.27 1.27 0.00 3.12 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.73 0.00 98 Y 7.64 4.88 0.00 2.92 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 99 H 9.07 5.45 0.00 3.21 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.35 4.66 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.90 0.00 0.00 101 V 8.66 3.75 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 0.54 0.00 0.00 0.98 0.00 0.00 102 R 8.56 3.95 0.00 1.75 1.96 0.00 3.59 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 103 G 8.63 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.17 4.10 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 -0.17 0.00 0.00 0.67 0.00 0.00 105 Y 8.37 3.59 0.00 3.39 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 0.00 106 D 8.47 4.39 0.00 3.02 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 0.00 107 A 8.41 4.63 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.54 4.66 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 0.00 109 G 8.61 4.01 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 0.00 0.00 0.00 110 V 7.98 3.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.22 0.00 0.00 111 K 8.70 4.07 0.00 1.89 1.67 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.47 7.81 112 D 8.79 4.67 0.00 2.88 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 0.00 113 R 7.21 4.46 0.00 1.68 1.77 0.00 2.98 0.00 0.00 2.92 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 114 K 8.19 4.65 0.00 1.69 1.74 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.41 7.81 115 K 7.61 4.53 0.00 1.65 1.25 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.32 7.81 116 S 8.70 4.21 0.00 4.01 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 0.00 117 R 8.34 5.05 0.00 1.78 2.12 0.00 3.28 0.00 0.00 3.90 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 118 S 8.02 4.12 0.00 3.87 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 0.00 119 K 7.78 4.16 0.00 2.34 1.74 0.00 1.94 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.58 7.81 120 Y 8.54 3.63 0.00 3.25 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 0.00 121 G 8.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.61 4.09 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 1.27 0.00 0.00 123 K 8.30 4.18 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.43 4.04 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 125 P 0.00 4.69 0.00 2.20 2.05 0.00 3.79 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 1.92 1.93 0.00 126 K 8.11 4.57 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.57 7.81 127 E 8.85 4.00 0.00 1.99 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 2.29 2.24 0.00 128 A 7.68 3.37 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 *129 A 8.02 4.12 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 * Residues marked with a * may have inaccurate shift predictions.