NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 K 4.2663 8.3149 124.0575 55.0558 35.3580 178.5833 *19 R 3.9781 8.8536 115.8308 57.0710 30.8563 173.1668 20 K 4.5371 8.1542 123.0465 54.6258 34.3737 175.2685 21 F 5.1615 8.6899 123.9645 55.9752 42.7288 174.1128 22 T 4.8954 8.8935 111.7997 57.7817 72.1328 174.8333 23 I 2.2210 7.6478 120.5928 63.4692 37.4899 177.5346 24 A 3.9597 7.2426 119.8689 55.1304 18.1593 179.0163 25 D 4.4253 8.0226 116.4657 56.8724 40.8468 178.2905 26 A 4.2005 7.8583 120.8217 53.8616 19.3084 178.3374 27 S 3.8245 7.9139 111.0835 59.1316 60.8575 172.3084 28 L 4.3952 7.7885 119.1188 54.4579 42.4540 177.6305 29 E 4.1474 8.5848 118.2627 58.4144 29.7239 179.1715 30 R 3.7462 7.8790 118.8468 58.0856 30.3735 176.6108 31 S 4.6384 7.0990 112.4539 55.7156 65.0158 174.3299 32 P 4.6268 0.0000 0.0000 60.3660 30.3586 176.5723 33 G 3.8258 7.3403 106.9115 47.2138 0.0000 172.9335 34 Q 4.3115 8.2141 117.9113 58.1743 30.3747 175.6516 35 E 5.0870 7.4666 114.8553 55.3306 32.5517 174.8055 36 A 4.7746 8.5767 126.1775 50.2089 22.4795 175.3177 37 D 5.0865 8.6217 119.9698 52.9272 44.3428 174.8614 38 I 4.6596 8.8822 125.0754 59.2098 40.3412 176.0268 39 S 4.6772 8.9183 123.1930 58.8127 63.3476 174.3001 40 V 4.4368 8.3106 116.2175 61.3963 33.6244 175.9787 41 G 4.0650 7.3840 105.3328 45.1815 0.0000 171.9566 42 N 5.3557 8.8318 119.4342 51.5214 40.4324 174.1603 43 L 4.3144 9.5337 124.6522 56.0050 43.4940 176.4911 *50 G 4.0305 7.5586 104.8658 44.5800 0.0000 169.7715 51 P 4.4103 0.0000 0.0000 62.6501 32.2530 175.3631 52 I 4.5965 8.0990 122.4051 60.4324 38.8302 174.6779 53 T 5.0050 8.7470 123.9263 61.7513 71.6403 173.2759 54 I 4.5568 8.3158 126.3525 59.7004 40.0218 175.0380 55 G 3.7467 7.6424 111.8736 45.2483 0.0000 170.7590 56 Y 5.2356 8.8318 116.3390 55.9712 42.0091 175.4659 57 G 4.4755 9.2768 108.8482 43.6017 0.0000 171.8173 58 R 5.2592 8.8111 122.0096 54.7808 34.1006 173.1958 59 Y 5.1522 9.3019 123.7685 55.8443 40.9451 175.4651 60 A 4.5518 8.7803 126.1860 51.0029 19.5216 175.3868 61 P 4.3444 0.0000 0.0000 63.5974 32.0546 176.7801 62 G 3.8323 8.3678 111.8115 46.7895 0.0000 173.4914 63 Q 4.6099 7.8789 117.3441 54.4002 31.2828 174.5214 64 S 5.4193 8.5514 115.9312 56.5428 64.7205 173.0190 65 L 4.9673 8.9439 125.8674 54.5176 44.3787 175.0743 66 T 5.1861 8.5454 118.0889 62.6041 71.7896 173.9787 67 E 4.7714 9.1660 123.0443 54.3782 34.4536 171.7579 68 T 5.2938 8.7017 126.1627 62.2484 67.0659 177.6220 *70 A 4.2886 8.5566 132.7982 52.7773 20.1564 176.4695 71 V 4.4826 7.1256 106.5837 59.3879 36.4457 174.5299 72 D 4.3010 8.2991 122.1734 54.6043 41.5797 175.0736 73 D 5.0457 8.3851 121.7285 52.6398 44.4487 174.4468 74 V 4.3791 8.9129 126.0650 61.3326 34.7802 174.1218 *76 I 4.3257 7.9731 123.3342 60.8235 39.5075 174.4627 77 V 4.2650 8.5633 129.6341 63.0671 32.0713 176.0960 78 L 4.5380 9.2512 127.6372 56.2056 43.3089 176.6896 79 E 4.5596 7.8070 115.8358 55.6418 34.0202 176.6067 80 G 3.9643 9.9248 108.5794 45.9539 0.0000 172.8461 81 R 4.6992 8.1652 119.4857 55.3579 34.2073 174.7348 82 L 5.1826 8.6495 125.1316 53.0517 45.6931 175.3943 83 S 5.2248 9.1126 118.0867 56.8816 65.7569 173.3636 84 V 4.8583 8.8399 123.5372 61.2630 34.4079 174.3862 85 S 5.2691 9.1806 123.4860 57.1410 66.9295 173.3008 86 T 4.5290 8.8648 120.5392 63.4624 70.0410 174.8167 87 D 4.2258 9.3520 128.6463 54.4616 38.7460 170.8454 88 G 4.1012 9.4483 107.0886 46.5679 0.0000 173.9363 89 E 4.7321 7.7393 115.7448 54.2127 33.5987 179.3842 90 T 5.1336 8.4627 119.2638 60.9696 71.9195 173.6189 91 V 4.6321 8.6690 118.1208 59.7427 35.8889 174.3364 92 T 5.0655 8.5009 116.0781 60.2540 70.3347 172.9362 93 A 4.7797 9.2116 129.3625 50.4283 22.1022 175.8227 94 G 4.3196 8.9440 111.2810 43.7141 0.0000 170.5403 95 P 4.6890 0.0000 0.0000 64.5041 31.4350 177.1697 96 G 3.9862 9.3595 112.2551 45.2093 0.0000 172.9510 97 E 4.6164 8.0810 119.6621 54.7412 31.2005 174.9657 98 I 4.7692 8.1380 122.5226 59.3858 39.6604 175.2446 99 V 4.3065 8.2492 123.4910 61.2120 33.5362 174.7305 100 Y 4.9537 8.6623 127.9713 54.9203 40.8414 172.0093 *102 P 3.9885 0.0000 0.0000 61.5688 32.2624 175.7234 103 K 3.8016 8.6568 121.4918 58.4977 32.2797 177.3129 104 G 3.9632 8.8983 113.9401 45.1548 0.0000 172.9159 105 E 4.3985 7.7493 119.6603 55.7876 31.3619 175.6206 106 T 4.8494 8.3529 120.2346 62.6411 69.5922 174.5412 107 V 4.6838 8.8327 120.3495 59.7565 35.4367 174.7889 108 T 4.9315 8.8904 121.2759 62.0214 70.8697 173.4123 109 I 4.8197 8.8553 127.9198 59.4565 39.9149 174.5531 110 R 5.1301 8.9860 128.0470 54.4263 32.7642 174.4274 111 S 4.9384 9.2077 121.7709 58.0145 65.4273 174.5208 112 H 4.8468 8.4685 119.6719 54.9340 30.6740 175.4951 113 E 4.1765 8.7921 116.8784 58.8899 29.7019 177.0231 114 E 4.4662 8.1548 117.9075 55.4736 30.5894 177.7254 115 G 3.9154 8.6188 109.3021 45.8887 0.0000 172.5313 116 A 5.0914 8.2632 118.5607 51.0569 23.2943 176.0292 117 L 5.5441 8.9717 119.6897 53.2600 45.5269 175.9542 118 T 5.3278 9.3410 111.5249 60.1280 72.7300 172.3477 119 A 4.9347 8.6625 123.6338 50.5591 22.0547 174.9897 120 Y 5.0751 7.8893 116.1122 55.9572 42.1550 173.7809 121 V 4.9806 9.0406 120.2147 61.4006 34.9047 174.3964 122 T 5.2600 9.0837 117.9651 60.3996 71.8362 172.4705 123 Y 5.2652 7.6589 119.8490 55.5200 41.3467 172.4320 124 P 4.7053 0.0000 0.0000 61.6260 33.3372 175.5729 125 H 4.6100 8.5022 114.6595 56.3119 28.6966 175.6667 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 17 K 8.31 4.27 0.00 1.56 0.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.05 7.81 *19 R 8.85 3.98 0.00 1.69 1.41 0.00 3.20 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.85 0.00 20 K 8.15 4.54 0.00 1.65 1.51 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.42 7.81 21 F 8.69 5.16 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.89 4.90 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 23 I 7.65 2.22 1.15 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 1.35 0.88 0.72 0.00 0.00 24 A 7.24 3.96 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 25 D 8.02 4.43 0.00 2.90 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 26 A 7.86 4.20 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 27 S 7.91 3.82 0.00 3.97 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 28 L 7.79 4.40 0.00 1.62 1.60 0.92 1.00 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 29 E 8.58 4.15 0.00 2.11 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 0.00 2.36 2.27 0.00 30 R 7.88 3.75 0.00 1.93 2.03 0.00 3.10 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 31 S 7.10 4.64 0.00 3.84 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 32 P 0.00 4.63 0.00 2.17 2.13 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 33 G 7.34 3.83 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 0.00 34 Q 8.21 4.31 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 35 E 7.47 5.09 0.00 1.79 1.64 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 1.79 1.47 0.00 36 A 8.58 4.77 1.16 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 37 D 8.62 5.09 0.00 2.43 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.88 4.66 1.94 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 1.26 1.09 0.95 0.00 0.00 39 S 8.92 4.68 0.00 3.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.31 4.44 2.27 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 0.80 0.00 0.00 0.81 0.00 0.00 41 G 7.38 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 0.00 0.00 0.00 42 N 8.83 5.36 0.00 2.59 2.73 0.00 0.00 6.88 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 43 L 9.53 4.31 0.00 1.66 1.72 0.90 0.10 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 *50 G 7.56 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 0.00 0.00 0.00 51 P 0.00 4.41 0.00 2.21 2.08 0.00 3.78 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 2.00 2.00 0.00 52 I 8.10 4.60 1.90 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 1.34 1.01 0.95 0.00 0.00 53 T 8.75 5.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 54 I 8.32 4.56 1.15 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.33 0.40 0.00 0.00 55 G 7.64 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 56 Y 8.83 5.24 0.00 2.91 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 57 G 9.28 4.48 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 0.00 0.00 0.00 58 R 8.81 5.26 0.00 1.87 1.69 0.00 3.05 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 59 Y 9.30 5.15 0.00 2.91 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 60 A 8.78 4.55 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.34 0.00 1.97 2.14 0.00 3.80 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 2.05 2.20 0.00 62 G 8.37 3.83 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 0.00 63 Q 7.88 4.61 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 64 S 8.55 5.42 0.00 3.84 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 65 L 8.94 4.97 0.00 1.71 1.71 1.10 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.55 5.19 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 1.23 0.00 0.00 67 E 9.17 4.77 0.00 1.58 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 2.14 2.16 0.00 68 T 8.70 5.29 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *70 A 8.56 4.29 1.25 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 0.00 0.00 71 V 7.13 4.48 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 0.64 0.00 0.00 0.83 0.00 0.00 72 D 8.30 4.30 0.00 1.78 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.39 5.05 0.00 2.52 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 74 V 8.91 4.38 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 1.04 0.00 0.00 1.20 0.00 0.00 *76 I 7.97 4.33 1.90 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 1.26 1.41 0.97 0.00 0.00 77 V 8.56 4.26 2.27 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 0.86 0.00 0.00 0.92 0.00 0.00 78 L 9.25 4.54 0.00 1.69 1.76 1.15 0.89 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 79 E 7.81 4.56 0.00 1.87 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 2.33 2.28 0.00 80 G 9.92 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 81 R 8.17 4.70 0.00 1.79 1.55 0.00 2.83 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.58 0.00 82 L 8.65 5.18 0.00 1.46 1.31 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.11 5.22 0.00 3.73 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 84 V 8.84 4.86 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 1.02 0.00 0.00 0.87 0.00 0.00 85 S 9.18 5.27 0.00 3.72 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 86 T 8.86 4.53 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 1.23 0.00 0.00 87 D 9.35 4.23 0.00 2.85 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 0.00 0.00 0.00 88 G 9.45 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 0.00 0.00 0.00 89 E 7.74 4.73 0.00 1.84 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 2.20 1.88 0.00 90 T 8.46 5.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 91 V 8.67 4.63 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 0.73 0.00 0.00 0.96 0.00 0.00 92 T 8.50 5.07 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 A 9.21 4.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.94 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 0.00 0.00 0.00 0.00 95 P 0.00 4.69 0.00 2.06 2.20 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 96 G 9.36 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 97 E 8.08 4.62 0.00 2.17 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 2.26 2.34 0.00 98 I 8.14 4.77 1.90 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 1.33 0.61 0.97 0.00 0.00 99 V 8.25 4.31 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 0.79 0.00 0.00 0.93 0.00 0.00 100 Y 8.66 4.95 0.00 2.93 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 *102 P 0.00 3.99 0.00 2.20 2.09 0.00 3.58 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 103 K 8.66 3.80 0.00 1.66 1.75 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.41 1.35 7.81 104 G 8.90 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 0.00 105 E 7.75 4.40 0.00 2.02 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 2.25 2.22 0.00 106 T 8.35 4.85 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 107 V 8.83 4.68 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 0.69 0.00 0.00 0.94 0.00 0.00 108 T 8.89 4.93 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 1.20 0.00 0.00 109 I 8.86 4.82 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 1.05 0.84 0.68 0.00 0.00 110 R 8.99 5.13 0.00 1.80 1.71 0.00 3.02 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 111 S 9.21 4.94 0.00 3.91 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 0.00 112 H 8.47 4.85 0.00 3.19 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.79 4.18 0.00 2.09 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 2.35 0.00 114 E 8.15 4.47 0.00 2.23 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 0.00 2.22 1.84 0.00 115 G 8.62 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 0.00 116 A 8.26 5.09 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 0.00 117 L 8.97 5.54 0.00 1.66 1.65 0.96 0.53 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 0.00 118 T 9.34 5.33 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 119 A 8.66 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.89 5.08 0.00 3.29 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 0.00 121 V 9.04 4.98 2.18 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 1.21 0.00 0.00 0.88 0.00 0.00 122 T 9.08 5.26 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 1.27 0.00 0.00 123 Y 7.66 5.27 0.00 3.03 2.99 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 0.00 124 P 0.00 4.71 0.00 2.25 2.12 0.00 3.97 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 125 H 8.50 4.61 0.00 3.19 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.