NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 F 4.6738 8.3249 115.8334 56.2088 39.1557 174.4044 29 D 4.0136 8.5947 122.9541 52.3773 41.0975 172.4669 30 E 4.8101 8.8439 123.2903 54.3753 33.1890 174.9088 31 F 4.9079 8.9186 120.9990 54.9094 42.0932 173.1986 32 P 4.9274 0.0000 0.0000 63.0718 31.7790 176.2244 33 I 4.0196 8.3793 122.8310 62.9410 37.9301 176.0529 34 G 3.6928 6.8292 106.8772 45.2821 0.0000 171.5874 35 E 4.1928 9.0096 120.0193 56.0395 30.1572 176.7053 36 D 4.9565 8.7534 124.9784 54.9311 41.8618 175.7763 37 R 4.7757 9.3122 120.0749 54.5027 34.0099 174.4573 38 D 5.4338 8.5987 120.8855 52.5172 43.5567 176.1321 39 V 4.1828 8.4516 123.2316 60.4424 34.5448 175.0636 40 G 3.5951 8.3452 115.2175 46.4425 0.0000 171.7308 41 P 4.8513 0.0000 0.0000 62.4846 31.6240 174.8793 42 L 5.0635 7.8813 119.3958 53.5307 44.9552 174.6899 43 H 5.2294 9.4645 123.2183 54.5988 31.9757 173.4130 44 V 5.0724 9.1038 126.1148 61.1164 34.2728 174.4573 45 G 4.6864 9.5246 114.8309 44.4602 0.0000 172.0122 46 G 4.5553 8.4867 107.4373 44.3625 0.0000 172.0399 47 V 5.4171 8.8792 117.1633 59.9858 36.7785 173.8242 48 Y 5.2468 9.2005 119.6159 56.1123 42.0920 174.1001 49 F 4.9924 8.1967 114.4788 55.9875 41.7029 172.8636 50 Q 2.8799 7.9230 116.5085 55.3611 28.4637 175.2549 51 P 4.3656 0.0000 0.0000 63.1222 31.9471 175.9089 52 V 4.3206 8.1787 113.7727 59.5748 34.5898 174.3635 53 E 4.3857 8.1129 121.1407 54.5083 31.8565 174.2620 *55 H 4.4121 8.3673 119.9133 55.0081 30.4602 171.2345 56 P 4.1830 0.0000 0.0000 62.2338 31.8618 175.6977 57 A 4.1504 8.1992 123.7330 50.7710 19.4739 175.7180 58 P 4.1979 0.0000 0.0000 62.6703 31.6043 177.3848 59 G 3.7471 8.9097 113.1724 48.2960 0.0000 173.5829 60 A 4.3320 7.7589 120.3671 53.0822 19.6299 177.5482 61 Q 4.1561 7.6330 115.1234 54.6139 29.3467 174.5709 62 P 4.3281 0.0000 0.0000 62.5187 31.9616 176.7856 63 S 4.3486 8.3594 115.5718 57.9730 64.8265 175.1206 64 K 3.8491 8.4736 122.4404 59.8281 31.8359 178.1302 65 E 4.1651 8.0394 117.5008 59.3510 29.6310 178.5000 66 E 4.2276 8.1378 116.9632 57.4224 29.9643 177.2774 67 A 4.3402 7.4721 121.3277 52.2138 19.2252 176.9692 68 D 4.9847 9.1220 120.7064 57.0721 41.9823 176.2459 69 C 4.8416 7.6041 110.7609 58.0781 33.3477 171.6224 70 H 5.0108 8.9620 118.9101 54.3500 31.7774 173.0168 71 I 4.8492 8.0803 125.8839 59.4064 40.4954 174.1792 72 E 4.8506 9.2783 125.6376 54.3375 33.7037 173.7962 73 A 5.3993 9.4199 128.2826 50.5622 21.5490 175.0703 74 D 5.1733 9.4662 123.9444 53.1817 42.8541 175.8472 75 I 5.1049 8.7042 124.5505 59.9144 40.3761 174.5024 76 H 5.3338 9.1930 123.0912 53.4980 33.5670 172.8638 77 A 4.5395 8.8778 123.3585 52.3348 19.5992 177.5475 78 N 4.7486 8.6844 119.8921 51.4709 40.3760 175.1440 79 E 3.9495 8.8292 115.8185 60.0518 29.1255 179.0212 80 A 4.3576 8.3372 120.4242 54.5343 18.4133 179.6469 81 G 3.8234 8.4463 104.4760 47.1846 0.0000 175.7832 82 K 4.3263 7.9935 123.5049 59.1446 32.1780 178.3718 83 D 4.4254 7.9632 117.4533 56.3861 40.4892 177.5618 84 L 4.3194 7.8061 117.6826 54.4650 42.1643 177.4086 85 G 3.8541 8.0301 107.9235 45.1022 0.0000 173.6284 86 Y 4.4107 7.4810 117.4546 57.2483 39.0975 174.9909 87 G 3.9285 8.6835 111.6322 44.8145 0.0000 173.7237 88 V 3.9183 8.2397 123.5670 64.0306 32.0222 176.4118 89 G 4.0473 9.2294 116.3152 45.2208 0.0000 173.4085 90 D 4.7909 7.9889 119.9697 53.7356 42.1698 175.8578 91 F 4.5233 9.0262 123.7720 58.6742 40.3733 174.8594 92 V 3.8896 7.0114 125.5777 60.4594 31.9597 173.6649 93 P 4.2801 0.0000 0.0000 62.7764 32.7417 175.8770 94 Y 3.6537 8.2247 112.6774 58.4004 35.1472 169.6129 95 L 4.4166 7.8964 120.0664 54.4064 43.3246 176.6389 96 R 4.4945 8.7521 119.2177 54.6822 32.5735 175.1119 97 V 4.6596 8.2405 124.0735 60.8374 33.8441 174.8933 98 V 4.2545 8.4412 126.4929 60.8641 35.0134 173.8101 99 A 5.1514 8.3014 128.7781 50.0937 22.0731 175.2267 100 F 5.2074 9.4030 119.3875 55.6101 42.3632 174.2627 101 L 5.3836 9.0951 123.7315 53.0369 44.8624 175.4730 102 Q 4.8000 9.5159 124.5515 54.1291 32.4321 173.9763 103 K 3.7412 8.7655 128.3812 56.1004 33.5284 175.8933 104 H 4.3384 8.7213 124.9400 57.4820 29.0493 176.2035 105 G 3.9189 8.9375 111.0651 45.5052 0.0000 172.9204 106 S 4.7866 7.7561 113.3150 56.4845 64.7269 173.5962 107 E 4.4541 8.5463 123.3385 56.3415 30.1522 176.6075 108 K 4.2274 7.9445 119.9073 55.9848 32.7103 176.3268 109 V 4.7029 8.2957 122.9637 61.2437 33.9690 174.4919 110 Q 4.5085 9.2611 127.5564 54.8718 30.4433 174.4561 111 K 4.4268 8.6098 124.9660 54.8814 33.9720 175.0639 112 V 4.4663 8.1468 129.5123 61.6478 35.0009 173.9941 *114 F 5.1907 8.6395 116.3804 57.7992 40.2987 174.2937 115 A 5.0362 8.6728 121.2639 49.4957 22.4567 174.1277 116 P 4.8633 0.0000 0.0000 61.7973 32.5967 175.5426 *118 N 4.4026 8.5293 116.8672 53.1925 39.8686 173.7537 119 A 4.8053 8.1810 124.0341 49.7884 22.0932 177.0401 120 G 3.7304 8.6335 106.3401 48.2758 0.0000 174.1937 121 D 4.6545 8.2087 117.5835 53.0095 39.9107 175.9306 122 G 3.7113 7.9917 107.1849 43.6363 0.0000 171.0817 123 P 4.5274 0.0000 0.0000 62.3717 32.0767 175.2467 124 H 4.8458 7.9371 116.2138 55.1721 32.6907 170.8946 125 Y 4.8055 8.6204 115.7586 56.5490 40.3763 175.8728 126 G 3.6175 8.9288 109.5522 45.9750 0.0000 171.4698 127 A 4.9112 7.2094 119.2740 50.5271 22.8474 175.8241 128 N 4.7683 9.0088 119.0151 53.4777 39.5537 175.0075 129 V 4.4149 8.7767 115.1065 60.0961 37.0810 173.5536 130 K 4.7103 8.0878 120.0092 54.7759 35.3569 177.0712 131 F 3.9995 9.3899 123.9613 55.8240 37.8855 176.4303 132 E 4.1084 9.3546 127.0957 58.7742 29.4622 178.3997 133 E 4.6159 8.2833 116.4996 55.7680 29.9784 177.7922 134 G 4.1506 8.2486 109.7650 44.8127 0.0000 173.9014 135 L 4.1263 8.6865 118.7736 54.2022 42.3590 177.9514 136 G 3.8608 7.7015 108.8084 45.6043 0.0000 170.5119 137 T 4.9019 7.6963 116.2036 62.5417 70.2453 173.9622 138 Y 5.1831 9.3438 123.5554 55.9871 42.2821 174.4665 139 K 5.0449 9.4289 124.1292 55.7722 34.1797 175.5181 140 V 4.9660 9.3174 127.3617 61.1936 34.4774 173.9433 141 R 4.9922 9.2786 128.2726 54.5693 33.2166 173.7668 142 F 5.5759 9.4236 125.2903 55.9796 41.6514 174.3112 143 E 5.0830 9.3881 123.6492 54.6397 32.1318 174.9767 144 I 4.8428 9.1914 125.5452 59.5872 39.8339 174.6448 145 A 5.1032 9.1142 129.8018 50.4063 21.0004 176.4528 146 A 3.9537 7.9992 122.0946 50.4943 19.4676 175.5410 147 P 4.5322 0.0000 0.0000 61.8855 32.0705 177.4910 148 S 4.1600 8.6055 118.1688 58.7993 63.6174 174.8553 149 H 3.8810 8.9708 123.1306 59.7840 29.3245 175.7507 150 D 4.7046 8.0637 114.6719 54.5628 40.6958 176.5832 151 E 4.5241 7.8793 118.3571 56.4744 30.6893 175.1745 152 Y 4.2953 7.1528 117.3473 56.6587 41.4442 172.9591 153 S 4.8029 7.4333 119.5790 56.8367 67.2388 173.2160 154 L 4.8225 8.1029 120.4126 53.1029 44.6312 176.4497 155 H 4.4568 8.6612 119.7588 55.7074 29.2856 175.8724 156 I 4.5282 8.1189 115.4731 60.1529 38.8125 175.4721 157 D 4.5294 7.7626 121.4179 53.0496 40.1309 176.7562 158 E 3.8733 8.7962 121.9553 59.5736 29.9623 178.1688 159 Q 4.1065 8.2856 118.5043 58.8163 29.1704 176.5869 160 T 4.4190 8.1325 104.4178 61.2750 70.1198 174.3966 161 G 3.9220 8.0213 111.5994 45.0807 0.0000 172.8397 162 V 4.4632 8.0979 112.2613 59.6023 34.1163 176.3907 163 S 4.4785 8.5115 114.9155 58.4285 63.8358 174.4045 164 G 3.9947 7.7700 110.9318 44.7646 0.0000 172.5306 165 R 4.5054 7.7572 113.7379 54.5502 31.9971 174.7901 166 F 4.2826 8.2869 117.7327 56.8451 39.5382 175.6350 167 W 4.5360 8.3967 120.5837 56.6220 29.0721 176.0578 168 S 4.4056 8.8340 115.6279 60.3696 62.5916 174.3363 169 E 4.2982 8.0612 117.1239 55.0028 30.2584 174.4805 170 P 4.8189 0.0000 0.0000 63.3983 32.2436 175.9113 171 L 4.2645 8.8525 123.1974 54.2834 43.2107 175.9482 172 V 4.8778 8.1678 121.1285 60.9962 34.3372 174.3533 173 A 4.5604 8.7938 129.1791 49.8761 21.4976 174.7051 174 E 4.4916 7.6764 119.0735 54.4135 33.3575 174.6478 175 W 4.9172 9.1489 120.3953 55.3360 32.0735 176.2576 176 D 4.7495 9.2397 124.4377 56.0829 41.4120 175.9660 177 D 5.0774 7.8588 117.6228 53.1763 40.6438 175.9617 178 F 4.4174 8.9295 122.4048 58.0100 41.2846 174.4714 179 E 4.4625 7.8340 127.3246 54.4793 30.4760 175.2852 180 W 4.3049 8.8438 135.0000 55.8369 31.0797 175.9898 181 K 4.0792 8.1828 125.4626 56.0698 32.3166 176.5501 182 G 2.5459 5.3800 105.2368 43.3686 0.0000 171.6425 183 P 2.9700 0.0000 0.0000 62.5837 31.3117 176.4117 184 Q 4.2471 5.7400 119.3626 54.4881 29.3997 175.7011 185 W 4.7106 6.7898 120.5655 57.0650 27.7809 173.9865 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 28 F 8.32 4.67 0.00 2.96 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 29 D 8.59 4.01 0.00 2.86 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 30 E 8.84 4.81 0.00 1.98 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 1.80 2.10 0.00 31 F 8.92 4.91 0.00 2.20 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 32 P 0.00 4.93 0.00 2.15 2.10 0.00 4.01 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 33 I 8.38 4.02 1.01 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.46 0.02 0.00 0.00 34 G 6.83 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 35 E 9.01 4.19 0.00 2.10 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 0.00 2.41 2.44 0.00 36 D 8.75 4.96 0.00 2.70 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 37 R 9.31 4.78 0.00 1.56 1.66 0.00 3.04 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 38 D 8.60 5.43 0.00 2.52 2.55 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 39 V 8.45 4.18 1.94 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 0.58 0.00 0.00 0.78 0.00 0.00 40 G 8.35 3.60 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 41 P 0.00 4.85 0.00 2.29 2.33 0.00 3.16 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 1.86 2.15 0.00 42 L 7.88 5.06 0.00 1.50 1.47 0.57 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.46 5.23 0.00 3.25 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 9.10 5.07 2.16 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 1.20 0.00 0.00 0.94 0.00 0.00 45 G 9.52 4.69 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 46 G 8.49 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 0.00 0.00 0.00 0.00 47 V 8.88 5.42 2.32 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 0.82 0.00 0.00 1.20 0.00 0.00 48 Y 9.20 5.25 0.00 3.09 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 49 F 8.20 4.99 0.00 3.06 3.36 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 50 Q 7.92 2.88 0.00 1.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 51 P 0.00 4.37 0.00 2.19 2.04 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 52 V 8.18 4.32 1.94 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 0.66 0.00 0.00 0.78 0.00 0.00 53 E 8.11 4.39 0.00 1.86 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 0.00 2.16 2.23 0.00 *55 H 8.37 4.41 0.00 3.12 3.23 0.00 5.99 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 1.99 1.87 0.00 3.62 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 57 A 8.20 4.15 1.21 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 0.00 0.00 0.00 58 P 0.00 4.20 0.00 2.15 2.00 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 59 G 8.91 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 60 A 7.76 4.33 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 61 Q 7.63 4.16 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 62 P 0.00 4.33 0.00 2.22 2.03 0.00 3.87 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 1.91 1.88 0.00 63 S 8.36 4.35 0.00 4.14 4.05 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 64 K 8.47 3.85 0.00 1.88 1.89 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.61 7.81 65 E 8.04 4.17 0.00 1.98 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 0.00 2.33 2.48 0.00 66 E 8.14 4.23 0.00 1.97 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 2.35 2.33 0.00 67 A 7.47 4.34 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 68 D 9.12 4.98 0.00 2.51 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 69 C 7.60 4.84 0.00 3.52 3.57 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 0.00 70 H 8.96 5.01 0.00 3.01 2.15 0.00 5.72 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.08 4.85 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.32 1.16 0.00 0.00 72 E 9.28 4.85 0.00 1.82 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 0.00 2.29 2.26 0.00 73 A 9.42 5.40 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 74 D 9.47 5.17 0.00 2.79 2.85 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 75 I 8.70 5.10 2.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.87 0.00 0.00 76 H 9.19 5.33 0.00 3.20 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.88 4.54 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 78 N 8.68 4.75 0.00 2.97 3.12 0.00 0.00 6.79 7.59 0.00 0.00 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 E 8.83 3.95 0.00 2.01 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 2.42 2.34 0.00 80 A 8.34 4.36 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.99 4.33 0.00 1.99 1.85 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 83 D 7.96 4.43 0.00 2.79 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 84 L 7.81 4.32 0.00 1.94 1.53 1.08 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.03 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 86 Y 7.48 4.41 0.00 3.14 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 87 G 8.68 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 88 V 8.24 3.92 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 0.91 0.00 0.00 0.98 0.00 0.00 89 G 9.23 4.05 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 0.00 0.00 0.00 90 D 7.99 4.79 0.00 2.85 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 91 F 9.03 4.52 0.00 2.96 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 92 V 7.01 3.89 1.77 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 0.51 0.00 0.00 0.44 0.00 0.00 93 P 0.00 4.28 0.00 1.95 2.18 0.00 4.01 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 94 Y 8.22 3.65 0.00 2.98 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 95 L 7.90 4.42 0.00 1.10 1.59 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.75 4.49 0.00 1.68 1.79 0.00 3.05 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 97 V 8.24 4.66 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 0.25 0.00 0.00 0.14 0.00 0.00 98 V 8.44 4.25 1.94 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 0.26 0.00 0.00 0.82 0.00 0.00 99 A 8.30 5.15 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 0.00 100 F 9.40 5.21 0.00 2.95 2.98 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 0.00 101 L 9.10 5.38 0.00 1.66 1.73 0.43 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 9.52 4.80 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 103 K 8.77 3.74 0.00 1.33 1.46 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 0.70 7.81 104 H 8.72 4.34 0.00 3.05 3.19 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.94 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 0.00 106 S 7.76 4.79 0.00 3.81 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 0.00 107 E 8.55 4.45 0.00 2.00 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 2.25 2.32 0.00 108 K 7.94 4.23 0.00 1.99 1.81 0.00 1.81 0.00 0.00 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2.41 0.00 160 T 8.13 4.42 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 0.00 161 G 8.02 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 0.00 162 V 8.10 4.46 2.26 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 0.68 0.00 0.00 0.85 0.00 0.00 163 S 8.51 4.48 0.00 3.96 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 0.00 164 G 7.77 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 0.00 165 R 7.76 4.51 0.00 1.89 1.86 0.00 3.08 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 166 F 8.29 4.28 0.00 2.94 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 0.00 167 W 8.40 4.54 0.00 3.44 3.25 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 0.00 168 S 8.83 4.41 0.00 3.89 3.97 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 0.00 169 E 8.06 4.30 0.00 2.17 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 0.00 2.34 2.43 0.00 170 P 0.00 4.82 0.00 2.02 2.15 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 171 L 8.85 4.26 0.00 1.21 1.24 -0.39 0.66 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 0.00 172 V 8.17 4.88 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 0.68 0.00 0.00 0.89 0.00 0.00 173 A 8.79 4.56 0.91 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 0.00 174 E 7.68 4.49 0.00 1.87 1.66 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 1.91 2.11 0.00 175 W 9.15 4.92 0.00 3.36 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 0.00 176 D 9.24 4.75 0.00 2.75 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 0.00 177 D 7.86 5.08 0.00 2.60 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 0.00 178 F 8.93 4.42 0.00 3.27 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 0.00 179 E 7.83 4.46 0.00 1.78 1.54 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 2.05 2.11 0.00 180 W 8.84 4.30 0.00 2.29 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 0.00 181 K 8.18 4.08 0.00 1.58 1.57 0.00 1.45 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.99 1.10 7.81 182 G 5.38 2.55 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 0.00 183 P 0.00 2.97 0.00 1.18 1.48 0.00 3.29 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 184 Q 5.74 4.25 0.00 1.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 185 W 6.79 4.71 0.00 3.48 3.35 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 * Residues marked with a * may have inaccurate shift predictions.