NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2206 8.3144 121.7896 55.8460 33.3722 174.8189 2 E 3.9908 8.3476 124.3310 53.7849 30.3688 175.1013 3 S 4.4142 8.8867 122.9381 58.0621 66.1983 174.6697 4 A 3.9718 8.5745 124.6637 55.3832 18.1531 180.0886 5 A 3.9564 7.9840 118.6979 55.2360 18.5381 179.4649 6 A 4.1220 8.2792 119.2757 54.6249 18.4386 179.8381 7 K 4.1433 8.2587 120.3259 58.9641 32.2750 178.7913 8 F 3.9533 8.5758 121.2619 61.4509 39.2529 176.9886 9 E 4.1673 8.4511 118.1930 59.4728 29.0081 179.3856 10 R 3.9450 7.9740 118.0856 59.2105 30.2273 178.0386 11 Q 3.9856 8.1183 117.1800 57.4182 28.6656 176.2855 12 H 4.9292 8.2591 114.5149 54.3978 31.0079 173.2390 13 M 4.7026 7.4433 119.1680 54.2032 33.7879 176.5578 14 D 4.7858 8.5055 119.8301 53.6863 43.0433 174.6179 15 S 4.7587 7.6603 116.3506 57.0985 65.4383 174.0164 16 G 4.1816 9.1308 119.2854 46.7760 0.0000 173.2432 *22 S 4.4099 7.9648 118.2293 58.2753 65.9408 176.3797 23 S 4.2601 7.9891 119.9911 59.4462 63.9385 174.9071 24 N 4.8577 8.0255 117.5508 53.3220 38.9845 175.6412 25 Y 4.0155 7.9025 121.1275 61.3093 38.7159 177.9386 26 C 4.2717 8.8217 117.5488 59.9260 39.6425 175.6186 27 N 4.4668 8.3259 117.6585 56.8524 38.1209 177.2143 28 Q 4.0850 8.1560 118.9486 58.8175 28.8287 178.4155 29 M 3.7413 7.9748 120.2168 58.2352 31.9267 178.6282 30 M 4.1787 8.3245 119.2756 58.1221 31.9748 178.4798 31 C 4.2298 7.6430 119.0622 61.9571 31.6887 174.8617 32 C 3.9337 7.8982 119.3739 62.4909 31.1151 174.4041 33 R 4.3685 8.2982 116.1381 55.4811 29.6820 176.2715 34 K 3.8549 7.7688 115.7005 58.4634 29.8226 176.0336 35 M 4.5990 8.6797 115.1504 55.3759 32.4546 177.5458 36 T 5.5046 7.5423 105.6731 60.0438 70.1819 173.0485 37 Q 4.1701 8.0677 122.7433 56.9803 28.8605 177.4763 38 G 3.8033 9.8663 113.0101 45.8041 0.0000 172.8908 39 K 3.6578 6.9824 116.0773 56.0603 35.3630 173.5052 40 C 4.8419 8.4717 117.8479 55.0360 40.9307 173.7861 41 K 4.0903 8.7574 127.3068 56.0011 32.3285 174.3622 42 P 5.1441 0.0000 0.0000 64.7821 32.1972 176.5591 43 V 5.0689 7.5856 116.2995 61.4223 34.7852 173.7669 44 N 4.7784 9.4053 124.7849 52.6463 42.8102 172.8847 45 T 4.6885 7.8641 121.4178 61.6357 71.5805 173.0032 46 F 4.9464 8.6314 123.9497 55.6763 42.0117 174.5219 47 V 4.5118 9.7456 124.1842 62.0201 33.0926 175.7160 48 H 5.2750 9.1045 123.5309 55.2301 30.1267 175.0575 49 E 4.5001 8.1676 118.3883 55.5255 30.4386 176.9460 50 S 4.3963 8.3161 114.7556 58.1389 65.0693 174.6364 51 L 3.9940 8.0044 125.6574 58.6036 41.7233 179.6113 52 A 3.9729 7.9489 119.9600 55.3564 18.2374 179.1575 53 D 4.3321 8.1527 116.4001 57.3471 41.0285 179.1318 54 V 3.7486 7.9174 118.7451 66.0671 31.6052 178.1452 55 K 3.7252 8.3364 118.3468 59.5401 31.8201 179.0553 56 A 3.9421 8.1719 120.5577 54.6521 18.1962 179.6248 57 V 3.8155 7.8889 117.3283 66.1931 31.2822 176.8807 58 C 3.7428 7.9515 114.3957 57.9596 39.9502 174.1361 59 S 4.6252 7.8183 115.9766 58.2216 63.8051 174.8219 60 Q 4.5933 7.6865 122.3009 55.2219 28.9466 175.2832 61 K 4.1265 8.0240 124.4414 57.1972 33.2343 177.2455 62 K 4.0940 8.5379 129.7494 56.3128 32.4978 176.0614 63 V 4.5312 8.2339 119.5416 59.8478 36.6575 174.5055 64 T 4.4033 8.1965 118.0701 62.4563 69.6530 176.1634 65 C 4.6617 8.7450 123.4763 56.6305 40.8970 175.1673 66 K 3.8027 9.4664 121.7041 59.3678 31.6147 178.0829 67 D 4.5554 8.0071 115.6707 53.2782 39.7646 177.0478 68 G 3.9938 7.9979 109.2972 45.4932 0.0000 174.4552 69 Q 4.1577 8.6848 119.9811 56.2558 29.5550 176.6726 70 T 4.7092 8.1871 111.0807 61.5347 68.9427 173.8015 71 N 5.1517 7.6864 113.2802 53.9651 38.7496 175.4515 72 C 5.3560 7.6237 115.7346 57.0200 42.5856 172.7833 73 Y 4.8158 8.8409 118.4770 56.4305 41.8973 173.9586 74 Q 5.0054 9.6322 126.9435 54.4347 31.1894 174.7038 75 S 4.7733 9.0893 122.4161 57.9412 63.1956 174.8191 76 K 4.1359 9.3458 123.8128 59.0413 32.6391 176.8630 77 S 4.9799 7.6368 113.4574 56.1718 66.3092 174.0102 78 T 4.2048 8.1961 111.6440 62.1208 69.9521 173.4917 79 M 5.0778 9.0230 120.8297 53.5927 37.0296 174.9827 80 R 4.4990 9.6066 122.7541 56.1727 31.3637 175.8283 81 I 5.0287 8.9158 117.0235 59.4112 42.1461 174.0940 82 T 4.9929 8.9435 118.7566 61.7913 71.9680 172.6964 83 D 5.0498 9.7518 127.0845 53.0629 43.3888 174.1715 84 C 5.5919 9.0817 123.6529 55.2681 41.1737 172.9242 85 R 5.2754 8.8202 123.5989 54.1594 33.7619 174.2130 86 E 4.0611 9.0551 125.7196 56.6029 30.5465 177.2768 87 T 4.5483 8.5742 115.5080 61.0254 70.3999 175.5234 88 G 3.6661 8.6815 109.3714 47.6515 0.0000 174.7449 89 S 4.3792 7.6097 114.3255 59.2072 63.4773 174.7037 90 S 4.0898 7.2832 115.8758 58.3262 62.4416 173.8028 91 K 4.2132 8.7577 128.6243 55.4538 33.2840 173.9293 92 Y 4.4140 8.7191 127.8894 57.7943 39.0071 174.7950 93 P 3.6629 0.0000 0.0000 62.7437 31.9462 176.6997 94 N 4.8745 7.8531 118.3724 51.9924 37.9038 172.3355 95 C 4.6357 8.1244 116.8415 56.5178 41.4725 173.2603 96 A 5.0335 8.8281 125.6739 50.3922 22.0841 174.4271 97 Y 5.1936 10.4702 118.7316 56.0786 42.4455 174.7273 98 K 4.6423 10.0357 122.7460 55.3591 34.5205 174.9813 99 T 5.1417 8.5602 123.3663 62.3230 70.3600 173.9922 100 T 4.6470 8.8324 122.6630 61.9060 72.4277 172.8132 101 Q 5.0942 8.7394 125.2517 54.6547 30.6203 175.2957 102 V 4.5651 8.5534 115.4970 60.2781 37.2382 173.2839 103 E 5.5236 8.5430 120.8156 54.1549 31.3377 175.8319 104 K 4.7274 8.3350 122.3665 55.3015 37.5551 175.0575 105 H 4.9193 8.9627 118.7059 55.7041 30.3272 174.6156 106 I 4.9066 8.7011 114.9324 59.2630 40.9003 174.2287 107 I 4.8542 8.4030 124.5892 59.7469 39.7366 175.2338 108 V 4.7167 8.8510 119.1648 59.4745 36.3297 174.2122 109 A 5.2755 9.3979 124.1487 50.7024 21.7184 175.2573 110 C 5.3815 8.9731 116.8842 55.6522 44.4404 173.6359 111 G 3.9559 9.3560 108.3664 46.4119 0.0000 173.2368 112 G 4.1082 9.3399 106.4885 44.8047 0.0000 172.5888 113 K 4.6016 7.9766 116.8098 53.6367 34.7217 175.1410 114 P 4.3408 0.0000 0.0000 62.1874 31.9794 175.9367 115 S 4.6423 8.2758 114.7649 58.1699 62.7599 173.3931 116 V 4.4642 8.3672 119.6799 58.4147 36.0093 173.1503 117 P 4.6373 0.0000 0.0000 62.8214 31.1690 177.1081 118 V 4.6977 8.6209 115.6271 61.3332 33.7452 175.4654 119 H 5.0655 8.0120 116.3640 54.7754 33.3814 172.4411 120 F 4.6548 9.0758 125.8100 57.5299 39.2179 174.6294 121 D 4.5975 8.4103 127.0673 56.4852 41.8770 175.6907 122 A 4.7014 6.7880 117.4612 51.5940 22.6347 174.6842 123 S 5.1919 8.7374 113.7147 56.1140 65.3829 174.7112 124 V 3.8906 8.2792 122.9780 62.0068 30.6480 175.9657 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 K 8.31 4.22 0.00 1.74 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.35 3.99 0.00 2.13 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 2.39 2.37 0.00 3 S 8.89 4.41 0.00 4.10 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 4 A 8.57 3.97 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 5 A 7.98 3.96 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 6 A 8.28 4.12 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 7 K 8.26 4.14 0.00 2.01 2.02 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.40 7.81 8 F 8.58 3.95 0.00 3.32 3.32 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 9 E 8.45 4.17 0.00 2.32 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 2.53 2.69 0.00 10 R 7.97 3.94 0.00 1.81 2.16 0.00 3.35 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 11 Q 8.12 3.99 0.00 1.39 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 12 H 8.26 4.93 0.00 1.87 2.88 0.00 5.61 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 13 M 7.44 4.70 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.83 0.00 14 D 8.51 4.79 0.00 2.78 2.67 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 15 S 7.66 4.76 0.00 3.95 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 16 G 9.13 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 0.00 0.00 0.00 0.00 *22 S 7.96 4.41 0.00 4.05 4.04 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 0.00 0.00 0.00 23 S 7.99 4.26 0.00 4.03 4.06 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 0.00 0.00 0.00 24 N 8.03 4.86 0.00 2.87 2.87 0.00 0.00 6.77 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 25 Y 7.90 4.02 0.00 3.13 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 26 C 8.82 4.27 0.00 3.14 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 N 8.33 4.47 0.00 2.93 2.95 0.00 0.00 7.15 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.16 4.08 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 29 M 7.97 3.74 0.00 0.82 1.07 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.89 0.00 30 M 8.32 4.18 0.00 1.81 2.04 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.42 0.00 31 C 7.64 4.23 0.00 3.09 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 32 C 7.90 3.93 0.00 2.92 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.30 4.37 0.00 1.98 2.13 0.00 3.69 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 34 K 7.77 3.85 0.00 1.91 1.90 0.00 1.69 0.00 0.00 1.97 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.54 7.81 35 M 8.68 4.60 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 36 T 7.54 5.50 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 1.43 0.00 0.00 37 Q 8.07 4.17 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 38 G 9.87 3.80 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 0.00 0.00 0.00 39 K 6.98 3.66 0.00 1.75 1.60 0.00 1.25 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.11 1.23 7.81 40 C 8.47 4.84 0.00 3.05 3.07 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 0.00 0.00 0.00 41 K 8.76 4.09 0.00 1.83 1.77 0.00 1.74 0.00 0.00 1.57 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.40 7.81 42 P 0.00 5.14 0.00 2.14 2.12 0.00 3.90 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 2.13 1.96 0.00 43 V 7.59 5.07 2.10 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 0.79 0.00 0.00 0.97 0.00 0.00 44 N 9.41 4.78 0.00 2.55 2.18 0.00 0.00 6.89 7.26 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 45 T 7.86 4.69 2.69 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 0.84 0.00 0.00 46 F 8.63 4.95 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 9.75 4.51 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 1.09 0.00 0.00 1.17 0.00 0.00 48 H 9.10 5.27 0.00 3.19 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.17 4.50 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 50 S 8.32 4.40 0.00 4.07 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 51 L 8.00 3.99 0.00 2.03 1.77 1.03 1.23 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 52 A 7.95 3.97 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 53 D 8.15 4.33 0.00 2.83 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 54 V 7.92 3.75 2.29 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 1.24 0.00 0.00 1.09 0.00 0.00 55 K 8.34 3.73 0.00 1.93 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.53 7.81 56 A 8.17 3.94 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 57 V 7.89 3.82 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 1.07 0.00 0.00 1.00 0.00 0.00 58 C 7.95 3.74 0.00 2.76 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 59 S 7.82 4.63 0.00 3.84 3.80 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 60 Q 7.69 4.59 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 61 K 8.02 4.13 0.00 1.96 1.69 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 62 K 8.54 4.09 0.00 1.64 1.52 0.00 1.50 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.72 1.23 7.81 63 V 8.23 4.53 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 0.68 0.00 0.00 0.83 0.00 0.00 64 T 8.20 4.40 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 1.18 0.00 0.00 65 C 8.75 4.66 0.00 3.11 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 66 K 9.47 3.80 0.00 1.69 1.88 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 67 D 8.01 4.56 0.00 2.75 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 68 G 8.00 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 69 Q 8.68 4.16 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 70 T 8.19 4.71 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 1.24 0.00 0.00 71 N 7.69 5.15 0.00 2.95 3.04 0.00 0.00 6.02 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 72 C 7.62 5.36 0.00 2.83 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 73 Y 8.84 4.82 0.00 2.86 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 74 Q 9.63 5.01 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 75 S 9.09 4.77 0.00 3.89 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 76 K 9.35 4.14 0.00 1.91 2.02 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.43 7.81 77 S 7.64 4.98 0.00 3.73 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 78 T 8.20 4.20 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 1.02 0.00 0.00 79 M 9.02 5.08 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 80 R 9.61 4.50 0.00 1.83 1.93 0.00 3.13 0.00 0.00 3.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 81 I 8.92 5.03 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.77 1.07 0.00 0.00 82 T 8.94 4.99 4.39 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 1.16 0.00 0.00 83 D 9.75 5.05 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 9.08 5.59 0.00 2.90 2.67 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 85 R 8.82 5.28 0.00 2.11 1.80 0.00 3.14 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 86 E 9.06 4.06 0.00 1.94 1.75 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 1.76 2.04 0.00 87 T 8.57 4.55 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 1.24 0.00 0.00 88 G 8.68 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 0.00 0.00 0.00 89 S 7.61 4.38 0.00 3.87 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 90 S 7.28 4.09 0.00 3.78 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 91 K 8.76 4.21 0.00 1.81 1.60 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.37 7.81 92 Y 8.72 4.41 0.00 3.05 2.87 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 93 P 0.00 3.66 0.00 1.81 1.20 0.00 3.56 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 1.74 1.70 0.00 94 N 7.85 4.87 0.00 2.76 2.73 0.00 0.00 7.04 8.32 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 95 C 8.12 4.64 0.00 3.08 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 96 A 8.83 5.03 1.12 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 0.00 0.00 97 Y 10.47 5.19 0.00 2.73 3.01 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 98 K 10.04 4.64 0.00 1.89 1.72 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 99 T 8.56 5.14 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 1.25 0.00 0.00 100 T 8.83 4.65 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 0.00 101 Q 8.74 5.09 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 102 V 8.55 4.57 2.10 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 0.68 0.00 0.00 0.96 0.00 0.00 103 E 8.54 5.52 0.00 1.82 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 2.21 2.15 0.00 104 K 8.34 4.73 0.00 1.73 1.72 0.00 1.72 0.00 0.00 2.07 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.51 7.81 105 H 8.96 4.92 0.00 3.07 3.36 0.00 5.57 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.70 4.91 1.70 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 1.15 0.00 0.00 107 I 8.40 4.85 1.84 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 1.17 0.59 0.82 0.00 0.00 108 V 8.85 4.72 1.99 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 0.62 0.00 0.00 0.83 0.00 0.00 109 A 9.40 5.28 1.27 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 0.00 0.00 110 C 8.97 5.38 0.00 2.71 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 0.00 111 G 9.36 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 0.00 112 G 9.34 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 0.00 0.00 0.00 0.00 113 K 7.98 4.60 0.00 1.67 1.68 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.39 7.81 114 P 0.00 4.34 0.00 2.12 2.02 0.00 3.74 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 115 S 8.28 4.64 0.00 3.81 3.66 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 0.00 116 V 8.37 4.46 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.86 0.00 0.00 117 P 0.00 4.64 0.00 0.49 1.21 0.00 3.28 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 118 V 8.62 4.70 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.84 0.00 0.00 119 H 8.01 5.07 0.00 3.13 3.20 0.00 5.60 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 0.00 120 F 9.08 4.65 0.00 2.56 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.60 0.00 2.67 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 0.00 122 A 6.79 4.70 1.22 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 0.00 0.00 123 S 8.74 5.19 0.00 3.97 4.13 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 0.00 124 V 8.28 3.89 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 0.67 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.