NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.3372 8.1233 123.5595 52.0774 19.8793 177.5645 14 E 3.4969 8.0426 116.4005 59.4221 29.9248 178.4076 15 A 3.8911 8.1324 121.8548 55.2831 19.8236 178.6833 16 G 3.9255 7.9082 102.8910 48.2412 0.0000 174.9030 17 I 3.7702 7.8989 121.5265 63.7267 37.1899 177.6350 18 T 3.9080 7.7077 116.5666 63.0222 69.0427 175.0435 19 G 3.5501 7.4165 112.9676 45.2179 0.0000 170.6751 20 T 4.8501 7.6382 116.4628 61.5859 71.0995 173.8847 21 W 5.5323 8.9284 124.8554 55.2569 34.1058 173.7874 22 Y 5.9498 9.5361 118.2345 55.5129 42.3922 174.6583 23 N 5.6741 8.9293 119.3083 50.2119 40.2641 175.3330 24 Q 4.1392 8.6316 115.7827 58.6212 28.7407 177.1055 25 L 4.1915 8.0308 117.6440 55.4372 42.0444 177.6037 26 G 4.0951 8.2440 106.7546 44.9278 0.0000 173.8906 27 S 4.6484 8.2227 115.6308 58.6126 64.6267 173.0037 28 T 4.8276 8.8701 119.7673 61.6815 71.1897 173.0359 29 F 4.9829 9.0029 128.6972 56.4219 42.2546 173.5543 30 I 4.6737 8.5186 128.1009 59.4079 39.2640 175.2652 31 V 4.5352 8.4709 126.4730 59.9455 35.3542 174.5473 32 T 4.6984 8.7752 118.9687 61.7117 71.5476 172.7379 33 A 4.6407 8.7783 129.8467 50.5109 19.7521 177.2788 34 G 3.9107 9.4400 112.2855 44.5117 0.0000 174.5027 35 A 4.8641 8.7478 122.4855 54.2977 18.5269 178.3236 36 D 4.5601 8.1196 113.6458 53.4530 39.8048 177.2933 37 G 3.3812 8.4192 108.1732 45.2794 0.0000 173.2707 38 A 4.8824 7.8815 121.7311 51.4266 20.2204 176.8638 39 L 5.2727 9.0425 120.9568 53.1930 45.3019 175.8988 40 T 4.9029 8.3700 111.7409 59.9916 72.6050 174.2395 41 G 3.6936 7.3187 107.9688 46.5371 0.0000 171.2337 42 T 5.2009 7.8413 114.2156 60.6175 71.6117 173.4168 43 Y 5.0948 9.6088 127.6600 55.7705 42.2610 173.8607 44 E 5.0671 9.2861 127.3718 54.5684 32.0464 174.6129 45 S 4.9257 9.2789 121.5757 57.6083 63.5217 173.7872 46 A 4.4421 8.4950 128.8968 53.0698 19.3098 177.5790 47 V 4.4077 7.5691 107.5636 59.9354 35.6041 175.8520 48 G 3.5159 8.5579 106.3615 44.5973 0.0000 172.8422 49 N 4.5312 8.0855 114.7324 52.6578 37.5921 173.9665 50 A 5.0198 6.9509 121.8847 50.0220 22.7620 175.6450 51 E 4.7975 9.0491 114.2982 57.1952 32.3945 178.0686 52 S 3.8323 8.8047 117.8878 57.3572 61.9432 168.7704 53 R 4.9719 8.1125 115.6822 55.5378 31.3662 175.2670 54 Y 4.9407 9.1073 116.9958 55.9986 42.1550 175.3582 55 V 4.3697 8.6317 122.6659 62.9279 32.3769 175.0390 56 L 5.2177 8.7667 126.4362 54.4888 44.1777 175.1168 57 T 4.9044 8.5941 113.5556 61.2822 71.4950 172.9859 58 G 4.5954 8.6238 113.2464 46.2211 0.0000 171.7625 59 R 5.6033 8.8172 117.4476 55.0103 34.8557 174.1503 60 Y 5.1994 8.5140 118.1987 55.6803 41.5760 174.3172 61 D 4.3668 8.9711 120.1967 53.5114 40.6051 176.8288 62 S 4.1545 8.1270 120.8840 59.3332 63.8937 174.5235 63 A 4.6585 8.1902 123.8561 49.9749 18.6397 173.7467 64 P 4.7240 0.0000 0.0000 60.7574 32.8413 177.0497 65 A 3.8222 8.2755 121.7916 55.1409 18.1295 179.1163 *69 S 4.5305 8.5657 112.9938 57.2670 65.5718 175.2529 70 G 3.8973 7.9449 105.1644 46.6822 0.0000 172.4391 71 T 4.8329 8.9847 118.2461 61.3644 70.5779 174.2935 72 A 4.8053 8.7049 129.4302 52.2166 19.9498 175.9463 73 L 4.8638 8.7474 120.8851 55.5209 44.6890 173.8584 74 G 4.5543 9.0133 104.1148 45.8740 0.0000 172.5003 75 W 5.8298 8.3485 117.4178 55.5588 32.3037 173.5086 76 T 5.2252 9.3247 116.7931 61.8484 72.4701 173.3031 77 V 4.4580 8.6175 123.6587 60.9838 34.6653 173.8569 78 A 4.5431 8.2773 129.6571 49.4433 20.2343 178.1792 79 W 4.2696 8.2930 126.3715 55.4989 27.3227 175.7934 80 K 5.2667 7.8100 118.7402 55.0682 35.0350 174.5483 81 N 5.0051 9.0703 122.7473 51.8535 39.9763 174.2099 82 N 4.0672 8.6092 113.8663 55.4537 38.7608 175.2879 83 Y 4.5892 7.4375 114.9160 58.5892 39.9186 175.6531 84 R 4.7158 8.5917 114.5446 55.0276 32.6730 173.5841 85 N 5.2041 8.5282 116.2898 52.5995 41.0230 173.6346 86 A 4.4344 8.8865 128.0314 51.4622 20.2694 175.7130 87 H 4.1865 8.4373 113.1451 56.1044 26.7888 173.7345 88 S 5.2014 7.4922 111.4037 57.5216 66.9742 173.9201 89 A 4.9490 9.0922 121.3396 50.7073 22.8829 175.2131 90 T 4.8821 8.7987 117.3090 61.6668 72.2495 173.2335 91 T 4.8802 8.3418 115.1145 59.6168 71.8378 172.6351 92 W 4.9665 8.7392 125.6660 54.7426 31.6715 174.8180 93 S 4.9024 8.9642 119.2294 56.4322 65.1483 173.5901 94 G 4.0748 8.0766 113.6211 46.0441 0.0000 171.5044 95 Q 5.2387 7.9489 117.2980 54.8049 32.3793 173.5749 96 Y 5.0763 9.0526 122.6971 56.4358 40.9918 174.3900 97 V 4.1169 8.3160 126.3432 60.9670 34.3498 175.4700 98 G 3.8653 8.0735 115.9232 44.8642 0.0000 170.8004 99 G 3.9647 8.8427 103.7483 44.1282 0.0000 173.7861 100 A 4.0369 8.5161 123.0219 54.4059 18.9054 178.7566 101 E 4.3996 7.6053 117.2491 54.1072 28.4887 174.4807 102 A 4.4201 7.8660 128.6418 53.2221 19.9739 176.6181 103 R 5.5455 9.1454 119.7130 55.0664 35.7966 174.2339 104 I 4.8974 8.9665 121.5015 59.8825 40.3601 174.4233 105 N 5.3793 9.0985 126.0327 52.1854 40.0840 174.6786 106 T 5.3872 9.3646 113.6417 60.1301 73.3003 172.5624 107 Q 4.9511 9.2246 120.3437 53.8356 32.6599 174.9170 108 W 5.4661 8.4377 118.7193 54.7148 32.4934 173.7840 109 L 5.3019 8.6345 120.0765 52.9170 44.9314 175.2373 110 L 5.0143 9.2669 126.3120 53.7227 44.4034 174.9038 111 T 5.0624 8.7979 123.5463 61.9840 71.0700 173.7732 112 S 5.1530 8.3697 121.5479 56.3716 65.5317 174.3646 113 G 3.8907 8.8775 112.0183 46.5969 0.0000 173.0005 114 T 4.7787 8.2415 113.6626 59.8542 72.0482 173.0577 115 T 4.2149 8.0390 111.5187 60.7297 70.2305 175.5626 116 E 4.0168 8.6544 120.7893 59.2990 29.0705 179.4916 117 A 4.1950 7.9746 120.0377 54.6433 18.9464 178.3232 118 N 4.4865 7.9327 112.2862 53.6319 39.1632 176.8604 119 A 4.0541 7.8006 124.1833 54.2583 18.1354 179.5406 120 W 4.3771 8.3350 113.9487 58.3546 28.4525 176.5594 121 K 4.2583 6.9483 118.7296 55.9494 32.2867 176.7070 122 S 4.4064 7.7716 113.1981 59.9486 64.0604 173.3849 123 T 5.1252 7.5650 117.6459 61.9085 71.1680 173.3758 124 L 4.8210 8.9185 126.4249 53.3103 44.3346 175.8858 125 V 4.4491 7.8156 119.9754 60.3682 34.4697 175.1259 126 G 3.0347 6.7659 108.1957 45.7545 0.0000 171.0804 127 H 5.3348 7.9907 114.0000 54.1479 31.6045 172.6831 128 D 5.2556 9.1881 120.3176 52.9562 45.4230 174.5706 129 T 5.1084 8.9437 118.5158 61.9179 71.7017 172.9119 130 F 5.5856 9.6205 126.0219 55.9938 41.8395 174.8716 131 T 5.3210 9.5826 113.3074 59.8391 71.7149 172.7816 132 K 3.9387 8.0669 126.3335 55.1003 33.0303 176.7918 133 V 3.7850 7.9927 126.2108 63.2217 31.4159 175.4286 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 13 A 8.12 4.34 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 14 E 8.04 3.50 0.00 2.14 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 0.00 2.52 2.50 0.00 15 A 8.13 3.89 1.26 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 0.00 0.00 0.00 16 G 7.91 3.93 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 0.00 0.00 0.00 17 I 7.90 3.77 1.30 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.36 0.50 0.00 0.00 18 T 7.71 3.91 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 1.15 0.00 0.00 19 G 7.42 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 4.85 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 0.90 0.00 0.00 21 W 8.93 5.53 0.00 3.31 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.54 5.95 0.00 2.99 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 23 N 8.93 5.67 0.00 2.19 1.86 0.00 0.00 6.49 7.04 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 24 Q 8.63 4.14 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 8.03 4.19 0.00 1.90 1.81 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.24 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 27 S 8.22 4.65 0.00 4.16 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 28 T 8.87 4.83 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 1.06 0.00 0.00 29 F 9.00 4.98 0.00 2.60 2.60 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 30 I 8.52 4.67 1.73 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 1.13 0.41 0.77 0.00 0.00 31 V 8.47 4.54 0.67 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 0.22 0.00 0.00 0.48 0.00 0.00 32 T 8.78 4.70 4.14 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 1.14 0.00 0.00 33 A 8.78 4.64 0.62 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 0.00 0.00 34 G 9.44 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 35 A 8.75 4.86 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 36 D 8.12 4.56 0.00 2.78 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 37 G 8.42 3.38 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 0.00 38 A 7.88 4.88 1.31 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 0.00 0.00 39 L 9.04 5.27 0.00 1.59 1.46 1.07 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.37 4.90 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 1.21 0.00 0.00 41 G 7.32 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 0.00 0.00 0.00 42 T 7.84 5.20 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 1.19 0.00 0.00 43 Y 9.61 5.09 0.00 3.03 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 44 E 9.29 5.07 0.00 2.08 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 2.26 2.33 0.00 45 S 9.28 4.93 0.00 4.39 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 46 A 8.50 4.44 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 47 V 7.57 4.41 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 0.72 0.00 0.00 0.85 0.00 0.00 48 G 8.56 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.09 4.53 0.00 2.63 2.68 0.00 0.00 6.58 7.96 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 50 A 6.95 5.02 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 51 E 9.05 4.80 0.00 2.09 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 2.13 2.03 0.00 52 S 8.80 3.83 0.00 3.75 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 53 R 8.11 4.97 0.00 2.08 1.99 0.00 3.06 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 54 Y 9.11 4.94 0.00 2.96 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 55 V 8.63 4.37 2.13 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.77 5.22 0.00 2.04 1.78 0.84 0.57 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 57 T 8.59 4.90 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 1.25 0.00 0.00 58 G 8.62 4.60 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 0.00 0.00 0.00 59 R 8.82 5.60 0.00 1.77 1.79 0.00 3.32 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.51 5.20 0.00 2.99 2.91 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 61 D 8.97 4.37 0.00 2.80 2.66 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 62 S 8.13 4.15 0.00 3.90 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.66 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 64 P 0.00 4.72 0.00 2.27 2.17 0.00 3.44 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 65 A 8.28 3.82 1.26 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 0.00 0.00 0.00 *69 S 8.57 4.53 0.00 3.92 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 70 G 7.94 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 0.00 0.00 0.00 71 T 8.98 4.83 4.57 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 0.00 0.00 0.00 1.48 0.00 0.00 72 A 8.70 4.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 4.86 0.00 2.10 1.96 0.99 0.55 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 74 G 9.01 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.35 5.83 0.00 3.53 3.26 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 0.00 76 T 9.32 5.23 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 1.15 0.00 0.00 77 V 8.62 4.46 1.76 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 -0.61 0.00 0.00 0.74 0.00 0.00 78 A 8.28 4.54 1.18 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 79 W 8.29 4.27 0.00 3.32 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 80 K 7.81 5.27 0.00 1.91 1.75 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 81 N 9.07 5.01 0.00 2.83 2.68 0.00 0.00 6.63 6.49 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 82 N 8.61 4.07 0.00 1.95 2.40 0.00 0.00 6.65 7.46 0.00 0.00 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 Y 7.44 4.59 0.00 2.81 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 84 R 8.59 4.72 0.00 2.06 2.08 0.00 2.91 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 85 N 8.53 5.20 0.00 2.67 2.64 0.00 0.00 6.84 7.96 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 86 A 8.89 4.43 1.28 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 87 H 8.44 4.19 0.00 3.41 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.49 5.20 0.00 4.02 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 89 A 9.09 4.95 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 90 T 8.80 4.88 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 91 T 8.34 4.88 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 1.14 0.00 0.00 92 W 8.74 4.97 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.96 4.90 0.00 3.80 3.63 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 94 G 8.08 4.07 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 0.00 0.00 0.00 95 Q 7.95 5.24 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.05 5.08 0.00 3.06 3.04 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 97 V 8.32 4.12 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 0.85 0.00 0.00 0.92 0.00 0.00 98 G 8.07 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 0.00 0.00 0.00 99 G 8.84 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 0.00 100 A 8.52 4.04 1.28 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 0.00 101 E 7.61 4.40 0.00 2.13 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 2.23 2.31 0.00 102 A 7.87 4.42 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 0.00 103 R 9.15 5.55 0.00 1.80 1.93 0.00 3.47 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 104 I 8.97 4.90 1.78 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.20 1.05 0.00 0.00 105 N 9.10 5.38 0.00 2.74 2.82 0.00 0.00 6.08 6.40 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 0.00 106 T 9.36 5.39 4.54 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 1.42 0.00 0.00 107 Q 9.22 4.95 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 108 W 8.44 5.47 0.00 2.64 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.63 5.30 0.00 1.54 1.53 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.27 5.01 0.00 1.58 1.70 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.80 5.06 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 1.19 0.00 0.00 112 S 8.37 5.15 0.00 3.72 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 0.00 113 G 8.88 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 0.00 114 T 8.24 4.78 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 1.19 0.00 0.00 115 T 8.04 4.21 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 1.21 0.00 0.00 116 E 8.65 4.02 0.00 2.05 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 2.41 2.39 0.00 117 A 7.97 4.19 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 0.00 118 N 7.93 4.49 0.00 2.70 2.70 0.00 0.00 6.83 6.87 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 0.00 119 A 7.80 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.33 4.38 0.00 3.63 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 0.00 121 K 6.95 4.26 0.00 1.28 0.74 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.74 0.76 7.81 122 S 7.77 4.41 0.00 4.15 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 0.00 123 T 7.57 5.13 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 1.19 0.00 0.00 124 L 8.92 4.82 0.00 1.81 1.69 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.82 4.45 1.91 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 0.55 0.00 0.00 0.74 0.00 0.00 126 G 6.77 3.03 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 0.00 127 H 7.99 5.33 0.00 3.16 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.19 5.26 0.00 3.00 2.36 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 0.00 129 T 8.94 5.11 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 130 F 9.62 5.59 0.00 3.01 3.26 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 0.00 131 T 9.58 5.32 4.40 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 1.36 0.00 0.00 132 K 8.07 3.94 0.00 0.79 1.20 0.00 1.17 0.00 0.00 1.30 0.00 0.00 2.50 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.77 0.21 7.81 133 V 7.99 3.78 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 1.36 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.