NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.8812 8.0549 114.0469 61.2170 32.8213 174.8317 4 I 4.0598 8.3364 126.2433 58.3775 36.7823 173.2197 5 N 5.0927 8.3038 121.9666 51.7179 39.4142 173.8120 6 T 4.6898 7.6132 109.1527 60.5755 72.2352 174.9875 7 F 4.2261 8.5667 121.0650 61.1773 38.9624 177.8444 8 D 4.5180 8.3083 117.9124 57.1488 40.8226 178.6746 9 G 3.7351 8.2558 106.3171 48.1090 0.0000 175.9196 10 V 3.6397 8.3401 121.6213 65.1844 31.3151 177.8458 11 A 4.0493 8.0817 120.6221 55.5437 18.4227 179.4601 12 D 4.2812 8.3800 117.4160 57.4547 40.8620 178.4286 13 Y 4.0333 8.0650 120.1881 60.7119 38.9645 178.0681 14 L 3.8875 8.2485 120.1252 57.7933 41.4548 179.4848 15 Q 3.6036 7.4423 117.0050 58.3006 28.6451 178.2330 16 T 3.5778 6.5864 115.0738 65.6647 68.9380 175.7019 17 Y 4.1389 6.7628 115.7440 57.8786 38.5082 175.4563 18 H 3.1539 6.8713 115.5730 55.7044 26.7222 174.3247 19 K 4.5081 7.4661 114.1703 56.2744 34.5959 174.4851 20 L 4.1657 8.3465 119.9279 53.4313 42.4606 175.1957 21 P 3.8574 0.0000 0.0000 62.0332 31.7833 177.5678 22 D 4.4610 8.3437 119.2909 56.8429 40.8790 177.3097 23 N 4.5358 8.0328 115.5391 53.3728 37.7513 173.5853 24 Y 5.0710 7.4526 117.3939 56.8262 39.8428 175.1754 25 I 4.9683 8.4803 115.5418 59.4063 41.5635 174.8747 26 T 4.6041 9.5027 115.1449 61.2254 70.2667 175.8293 27 K 3.9664 9.1324 121.9698 59.8130 32.0614 179.9176 28 S 4.3370 8.1307 113.9414 61.3790 62.8123 176.2389 29 E 3.9535 7.9485 120.5618 59.1631 29.2661 179.0435 30 A 4.0233 8.3017 121.0673 55.4566 18.4457 179.6603 31 Q 4.1522 8.9084 116.6852 59.2212 28.5652 179.0555 32 A 4.1377 8.0394 120.8173 54.5358 18.4725 178.6537 33 L 4.4380 7.4759 115.4858 54.6873 41.9314 177.3085 34 G 3.8891 7.9107 107.1982 45.4404 0.0000 173.5311 35 W 4.4309 8.0964 129.9285 56.6744 31.2430 175.5447 36 V 3.7841 9.1325 125.6555 60.5604 32.6582 175.4659 37 A 3.3422 7.6611 130.9991 55.3504 18.0614 179.4316 38 S 4.4879 7.8436 108.8730 60.5041 62.9500 175.0411 39 K 4.3647 7.7659 118.2219 55.0414 32.9550 176.0307 40 G 3.2366 7.0846 107.0594 46.3217 0.0000 173.6694 41 N 4.7883 7.8983 112.6528 52.3233 38.3965 176.1186 42 L 3.9279 8.5226 122.1437 59.0720 41.4569 178.7791 43 A 4.1757 8.2760 119.6587 55.3456 17.9459 179.2690 44 D 4.3075 7.9946 116.7387 57.4442 41.0594 178.7271 45 V 4.1101 7.7803 110.2559 62.0821 33.6738 176.6275 46 A 4.6626 8.3611 121.5693 49.2912 19.3662 172.9585 47 P 4.4911 0.0000 0.0000 62.7503 32.2154 177.6527 48 G 3.8592 8.8034 109.8370 45.6137 0.0000 173.1295 49 K 4.6985 7.6564 118.4999 54.9591 34.3622 175.8916 50 S 4.5536 8.3086 117.4260 56.4315 67.4745 173.4037 51 I 4.3747 7.8256 122.4639 61.2584 38.0030 175.4570 52 G 4.2774 9.2111 111.9947 47.0952 0.0000 173.8248 53 G 4.3346 10.0031 110.5670 44.3732 0.0000 173.7942 54 D 4.7939 7.9576 119.5804 53.4024 42.6739 175.8877 55 I 4.1498 8.3807 122.5215 61.6448 37.1424 175.0959 56 F 4.6919 9.2571 129.6345 56.4315 40.7426 176.0707 57 S 3.9100 8.3828 123.0167 60.3857 63.0627 174.5879 58 N 3.8120 6.0159 116.1372 54.5399 37.6053 176.8221 *59 R 3.8654 8.0389 118.7587 60.0675 28.9539 180.2200 60 E 4.3483 8.2228 112.6265 54.8772 29.6561 178.4549 61 G 4.2727 7.6570 106.2825 47.4376 0.0000 175.5687 62 K 4.1053 7.5339 120.6547 57.6953 32.5228 177.6748 63 L 3.8957 7.3102 118.4181 51.2434 43.0799 174.3188 64 P 4.1218 0.0000 0.0000 63.4028 31.0294 176.5689 65 G 4.0318 8.4247 112.3635 44.3900 0.0000 171.8652 66 K 4.1660 7.6942 116.4016 55.5032 34.5563 173.6311 67 S 4.2010 8.7067 120.1981 59.5206 62.5982 174.4201 68 G 3.8494 9.0148 116.0981 45.0008 0.0000 172.3113 69 R 4.2529 7.3365 120.5558 55.1203 31.2578 175.5037 70 T 4.5929 8.5415 123.3468 61.5362 71.5103 173.2531 71 W 5.1341 8.6133 124.7382 55.0904 32.1563 175.0812 72 R 5.2014 8.8216 122.1909 54.3547 34.4038 173.7128 73 E 5.8979 9.3423 117.2675 54.0621 33.7946 174.2426 74 A 5.0161 8.2870 119.6479 50.7624 22.6485 175.4500 75 D 5.0321 9.2673 121.8799 54.4220 41.6244 176.1179 76 I 4.3755 8.0065 121.6573 60.0991 40.9195 175.6913 77 N 4.2807 8.8308 121.0744 54.2459 36.3374 173.6302 78 Y 4.4407 7.3254 120.4193 57.0929 39.8166 175.3956 79 T 3.9267 7.2962 114.9170 62.5891 70.6722 173.5330 80 S 4.0938 6.4672 112.2330 58.5962 65.7400 175.3468 81 G 3.8627 8.5633 107.2384 45.1498 0.0000 173.3622 82 F 4.3831 8.7780 118.9688 57.2246 39.7076 175.4724 83 R 4.3397 8.7427 122.3673 56.4636 30.7065 176.4924 84 N 5.0497 8.4375 117.4461 52.2624 40.1446 175.7923 85 C 4.8777 8.5999 116.7964 57.3216 36.3482 172.9368 86 D 5.3960 8.4075 121.0567 53.9005 41.8632 175.8537 87 R 5.1170 9.1971 121.3272 54.8521 35.4022 173.6744 88 I 5.1094 9.0513 122.5676 59.3821 41.0379 174.1782 89 L 5.5032 9.4903 128.8702 53.1693 44.2459 175.0024 90 Y 6.1362 9.2965 122.0608 54.2785 41.4665 175.3117 91 S 4.0516 8.1825 116.6905 56.1726 65.3586 175.1347 92 S 3.4779 7.9040 115.0317 60.2425 62.6391 174.7825 93 D 4.5432 7.2093 119.2947 52.3626 39.4759 175.8004 94 W 3.8455 6.5190 116.5486 58.5070 27.4430 174.6439 95 L 4.5163 7.6846 117.5018 54.3532 42.3644 176.2199 96 I 5.4786 8.6319 123.2011 59.9675 40.5280 174.3123 97 Y 5.2960 9.9716 124.0476 56.0166 42.1926 174.5334 98 K 5.3588 9.4174 119.3905 55.8498 36.7595 175.0738 99 T 4.9594 8.7154 114.6438 60.6278 70.9818 173.9851 100 T 5.1484 8.3993 116.2886 61.2343 69.6895 173.4837 101 D 4.6283 7.6866 121.0936 53.6785 40.3358 174.2695 102 C 3.6477 8.3570 111.9725 59.6794 37.5668 173.1083 103 Y 3.2715 7.1402 109.8148 59.0871 35.7988 172.2690 104 Q 4.1302 7.7128 119.9191 58.5402 28.9679 176.7309 105 T 4.5668 7.9434 105.9683 59.4896 71.6276 172.9113 106 F 5.4559 8.5931 121.5424 56.0419 42.2806 174.6305 107 T 4.8828 8.9642 111.8935 59.5209 72.2669 173.1605 108 K 3.7476 8.7128 125.8573 56.4324 32.3062 176.3912 109 I 4.4767 8.6370 118.8070 60.7255 39.6981 175.7209 110 R 4.1715 7.5820 124.7148 56.5371 31.0598 174.5218 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 3 V 8.05 3.88 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 0.82 0.00 0.00 0.86 0.00 0.00 4 I 8.34 4.06 1.74 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 1.47 0.58 0.92 0.00 0.00 5 N 8.30 5.09 0.00 2.75 2.83 0.00 0.00 5.83 7.22 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 6 T 7.61 4.69 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 1.22 0.00 0.00 7 F 8.57 4.23 0.00 3.13 3.14 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 0.00 0.00 0.00 0.00 8 D 8.31 4.52 0.00 2.76 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 9 G 8.26 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.34 3.64 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 0.91 0.00 0.00 1.07 0.00 0.00 11 A 8.08 4.05 1.50 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 0.00 0.00 12 D 8.38 4.28 0.00 2.83 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 13 Y 8.07 4.03 0.00 3.27 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 14 L 8.25 3.89 0.00 1.92 1.70 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.44 3.60 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 16 T 6.59 3.58 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 0.12 0.00 0.00 17 Y 6.76 4.14 0.00 2.50 2.75 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 18 H 6.87 3.15 0.00 3.27 3.48 0.00 5.89 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 19 K 7.47 4.51 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 20 L 8.35 4.17 0.00 1.63 1.41 0.83 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.86 0.00 2.20 1.25 0.00 3.56 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.12 0.00 22 D 8.34 4.46 0.00 2.62 2.71 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 23 N 8.03 4.54 0.00 2.81 2.90 0.00 0.00 6.19 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 24 Y 7.45 5.07 0.00 2.94 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 25 I 8.48 4.97 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.89 0.00 0.00 26 T 9.50 4.60 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 1.31 0.00 0.00 27 K 9.13 3.97 0.00 1.97 2.12 0.00 1.87 0.00 0.00 1.90 0.00 0.00 3.18 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.64 7.81 28 S 8.13 4.34 0.00 4.09 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 29 E 7.95 3.95 0.00 2.31 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 0.00 2.36 2.36 0.00 30 A 8.30 4.02 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 31 Q 8.91 4.15 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.75 0.00 32 A 8.04 4.14 1.42 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 33 L 7.48 4.44 0.00 1.81 1.75 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.91 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 0.00 0.00 0.00 35 W 8.10 4.43 0.00 3.20 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 36 V 9.13 3.78 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 0.78 0.00 0.00 0.90 0.00 0.00 37 A 7.66 3.34 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 38 S 7.84 4.49 0.00 3.84 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 39 K 7.77 4.36 0.00 1.65 1.77 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.27 7.81 40 G 7.08 3.24 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 0.00 41 N 7.90 4.79 0.00 2.90 3.02 0.00 0.00 5.71 6.67 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 42 L 8.52 3.93 0.00 1.39 1.73 0.41 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.28 4.18 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 44 D 7.99 4.31 0.00 2.90 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 45 V 7.78 4.11 2.35 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 0.95 0.00 0.00 1.11 0.00 0.00 46 A 8.36 4.66 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 47 P 0.00 4.49 0.00 2.03 2.01 0.00 3.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 48 G 8.80 3.86 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 0.00 49 K 7.66 4.70 0.00 1.63 1.66 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.48 7.81 50 S 8.31 4.55 0.00 2.91 3.48 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 51 I 7.83 4.37 1.82 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.32 0.84 0.00 0.00 52 G 9.21 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 53 G 10.00 4.33 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 0.00 54 D 7.96 4.79 0.00 2.71 2.65 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 0.00 0.00 0.00 55 I 8.38 4.15 1.88 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 1.24 0.74 0.90 0.00 0.00 56 F 9.26 4.69 0.00 3.09 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 57 S 8.38 3.91 0.00 3.48 3.65 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 0.00 0.00 0.00 58 N 6.02 3.81 0.00 2.84 2.74 0.00 0.00 7.32 7.53 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 *59 R 8.04 3.87 0.00 1.87 1.85 0.00 3.31 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 60 E 8.22 4.35 0.00 1.89 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 0.00 2.30 1.87 0.00 61 G 7.66 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 0.00 0.00 0.00 0.00 62 K 7.53 4.11 0.00 2.07 2.09 0.00 2.01 0.00 0.00 2.01 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.48 7.81 63 L 7.31 3.90 0.00 0.53 0.13 -0.59 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.12 0.00 2.36 2.20 0.00 3.01 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 2.24 2.11 0.00 65 G 8.42 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 66 K 7.69 4.17 0.00 1.74 1.56 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.25 7.81 67 S 8.71 4.20 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.01 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 0.00 0.00 0.00 69 R 7.34 4.25 0.00 1.61 1.70 0.00 3.20 0.00 0.00 2.52 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.23 0.00 70 T 8.54 4.59 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 1.12 0.00 0.00 71 W 8.61 5.13 0.00 3.45 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 72 R 8.82 5.20 0.00 0.67 1.36 0.00 3.03 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.38 0.00 73 E 9.34 5.90 0.00 2.15 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 2.48 2.23 0.00 74 A 8.29 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.27 5.03 0.00 2.71 2.63 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 76 I 8.01 4.38 1.18 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 -0.22 0.00 0.00 77 N 8.83 4.28 0.00 2.91 2.89 0.00 0.00 6.88 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 78 Y 7.33 4.44 0.00 3.01 2.75 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 79 T 7.30 3.93 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 1.08 0.00 0.00 80 S 6.47 4.09 0.00 3.85 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 81 G 8.56 3.86 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 0.00 82 F 8.78 4.38 0.00 3.17 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 83 R 8.74 4.34 0.00 1.97 1.94 0.00 3.21 0.00 0.00 3.52 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 84 N 8.44 5.05 0.00 2.86 2.96 0.00 0.00 5.93 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 85 C 8.60 4.88 0.00 2.87 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 86 D 8.41 5.40 0.00 2.93 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 87 R 9.20 5.12 0.00 1.61 1.80 0.00 3.48 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.00 88 I 9.05 5.11 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.81 1.09 0.00 0.00 89 L 9.49 5.50 0.00 1.67 1.38 1.07 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.30 6.14 0.00 3.18 3.19 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 91 S 8.18 4.05 0.00 2.72 2.63 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 92 S 7.90 3.48 0.00 3.69 3.73 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 93 D 7.21 4.54 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.52 3.85 0.00 3.54 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.52 0.00 1.97 1.98 1.13 0.90 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 96 I 8.63 5.48 2.00 0.00 0.00 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 1.58 1.15 1.14 0.00 0.00 97 Y 9.97 5.30 0.00 2.89 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 98 K 9.42 5.36 0.00 1.67 1.81 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.06 1.12 7.81 99 T 8.72 4.96 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 1.10 0.00 0.00 100 T 8.40 5.15 4.33 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 1.34 0.00 0.00 101 D 7.69 4.63 0.00 2.81 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 0.00 102 C 8.36 3.65 0.00 3.18 3.28 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 0.00 103 Y 7.14 3.27 0.00 3.26 3.39 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 0.00 104 Q 7.71 4.13 0.00 2.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 105 T 7.94 4.57 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 1.16 0.00 0.00 106 F 8.59 5.46 0.00 2.88 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 0.00 107 T 8.96 4.88 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 0.00 108 K 8.71 3.75 0.00 1.41 1.56 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.18 0.87 7.81 109 I 8.64 4.48 1.85 0.00 0.00 1.00 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 0.89 0.79 0.00 0.00 110 R 7.58 4.17 0.00 1.87 1.82 0.00 3.47 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.