NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2911 8.1076 123.5738 52.5305 19.0613 176.7737 1 N 4.3244 7.9495 118.8531 53.5146 38.1547 175.8079 2 R 3.4125 8.5454 122.2896 59.2719 30.6625 179.3402 3 D 4.3773 8.0003 118.1185 57.7143 40.6473 179.0425 4 S 4.0976 7.8691 114.1988 61.2793 62.8062 176.3785 5 L 4.1299 7.3512 120.7864 56.8234 41.6951 178.3534 6 F 5.2078 8.3410 115.1186 57.2711 40.3653 175.9690 7 N 5.0024 8.1111 115.7442 52.6994 39.5372 173.7655 8 D 4.5643 8.1637 119.2047 52.7374 41.4112 175.0530 9 P 4.3449 0.0000 0.0000 64.8839 31.5554 176.3411 10 N 4.6025 8.7367 116.9644 53.0863 38.8449 173.6634 11 A 4.7406 7.6259 120.2558 49.6311 20.9824 175.2650 12 P 4.2265 0.0000 0.0000 62.8382 32.7183 175.3939 13 V 4.7559 8.1752 122.3500 61.2309 33.8311 174.4033 14 L 4.6286 8.2541 127.0308 53.0800 45.4037 176.9245 15 G 3.8818 8.6804 106.9170 46.8817 0.0000 173.8843 16 N 4.6978 8.8159 123.4795 51.4475 39.2124 174.5757 17 P 4.3085 0.0000 0.0000 64.8276 31.6103 177.0594 18 E 4.6105 8.2195 116.7557 55.6963 29.7687 176.4610 19 G 4.0617 7.8136 108.3367 45.5634 0.0000 174.0193 20 D 4.6321 8.2856 120.0227 53.7469 40.4830 176.3846 21 V 4.4720 7.5406 120.0345 61.4710 34.8705 173.7997 22 T 4.8219 8.9999 124.9011 61.9372 70.6088 173.5643 23 V 4.8406 8.9296 126.9200 61.2614 33.8188 174.3096 24 V 5.0929 9.3278 128.3596 61.2532 33.9673 173.7200 25 E 5.0076 9.3743 128.3348 54.4663 32.6147 174.1924 26 F 5.2245 9.1881 126.1023 55.9156 41.2162 174.9190 27 F 5.2064 7.9232 116.9967 55.7655 42.0365 172.5584 28 D 4.9184 8.4511 117.8051 52.7181 44.0436 175.7191 29 Y 4.3034 8.9756 122.5851 60.0819 38.1432 176.1631 30 N 4.7769 8.7725 116.5505 53.0137 39.3279 174.5984 31 C 4.3783 7.9988 120.6995 57.9548 32.5233 172.1012 32 P 4.1962 0.0000 0.0000 66.0783 30.9928 178.2871 33 Y 4.1398 7.9406 114.8740 60.9192 37.5941 177.9595 34 C 4.3039 8.1840 116.8602 62.9762 28.4031 175.7530 35 R 4.1193 7.9909 118.5446 59.2696 29.6899 178.8050 36 R 4.0785 8.2392 118.3608 58.8837 30.8293 177.8779 37 A 4.7724 8.5115 122.0876 52.0085 16.0064 178.4266 *39 A 4.1566 7.7539 127.6984 52.5246 21.4574 179.6462 40 E 3.9792 7.6929 116.3220 59.4600 29.4883 179.7405 41 V 3.6740 8.2412 118.5894 66.1591 31.7036 177.9931 42 Q 4.0030 8.2319 117.5040 58.8927 28.4598 179.0956 43 G 3.7836 8.1713 108.0196 47.0644 0.0000 175.2611 44 L 3.8820 7.9557 123.0268 58.1213 41.9145 179.3548 45 V 3.6123 7.6895 116.5907 66.1267 31.5189 177.4359 46 D 4.4516 8.2000 117.6741 56.6198 40.7244 177.8157 47 A 4.5953 7.7269 120.2524 52.1438 19.8316 176.2634 48 D 4.6237 8.1978 116.8418 51.9109 42.1383 173.7128 49 P 4.5843 0.0000 0.0000 63.3796 31.6689 176.0473 50 N 4.9572 8.5990 117.7363 53.5291 40.3436 173.1375 51 V 4.5261 7.4571 116.5932 60.6072 34.0179 174.2443 52 R 4.7961 8.9001 128.7702 55.0353 32.0732 174.6731 53 L 5.2185 8.7636 126.0353 53.1077 44.5927 175.5506 54 V 4.8915 9.0180 122.5626 61.3860 34.7633 173.5312 55 Y 5.6381 8.7537 125.4714 56.6351 40.0549 175.3725 56 R 4.2894 8.6073 123.6119 54.0687 32.3760 175.3035 57 E 3.3816 8.7390 125.0070 55.7289 30.4197 176.2404 58 W 5.4433 8.2607 135.0000 54.6201 30.3433 171.1372 59 P 4.6740 0.0000 0.0000 62.2898 31.3690 176.9620 60 I 4.3456 9.4125 116.6566 59.9146 38.7539 175.7271 61 L 4.4991 8.0052 120.0983 54.8125 42.4140 174.8469 62 G 3.8340 7.9606 105.3834 44.5220 0.0000 174.7031 63 E 4.1570 9.1169 117.7480 59.2578 29.3792 179.3602 64 G 3.6886 7.9400 106.7577 47.4235 0.0000 175.6885 65 S 4.2397 8.1146 117.4614 61.3894 62.8202 176.2352 66 D 4.3417 8.3136 120.6457 57.1658 40.9300 177.8958 67 F 3.9243 8.5259 121.0508 61.2916 39.3567 176.8516 68 A 3.9920 8.5580 120.2837 55.2095 18.1968 179.4289 69 A 4.5918 8.3274 120.6813 55.0619 18.4385 180.1163 70 R 3.8689 8.2861 116.4741 59.2125 30.1061 179.1872 71 A 3.9822 8.3485 120.7698 55.0406 18.2131 179.4503 72 A 4.0530 8.1316 118.3818 55.5293 18.8775 179.5272 73 L 4.2115 8.3252 117.2657 58.0193 41.7083 179.6735 74 A 4.0779 8.6374 120.8414 55.0063 18.1890 179.4476 75 A 4.0844 8.2263 119.1497 54.9790 18.4028 179.7370 76 R 3.9741 8.0994 116.6138 59.7128 29.8944 178.7520 77 Q 4.2493 8.1663 116.1948 57.5792 28.7359 176.8255 78 Q 4.4666 7.8817 117.5814 55.0190 29.4248 175.7628 79 G 3.9912 8.0885 105.5149 46.6878 0.0000 174.4875 80 K 4.6699 7.8379 116.0959 55.4244 33.7749 177.7290 81 Y 4.1057 8.5338 121.2435 61.0277 38.5183 177.6016 82 E 3.6338 8.3251 119.0557 59.2536 29.8852 178.3946 83 A 4.1948 8.0543 120.2766 55.1770 18.4609 179.2513 84 F 4.3955 8.2843 119.1194 61.6683 39.2671 176.5767 85 H 3.6975 7.8934 116.9629 59.2236 29.6176 176.7066 86 W 4.7684 7.7145 118.7937 59.9425 28.9449 178.1411 87 A 4.3021 8.0046 119.7492 54.9610 17.8764 180.1406 88 L 3.9605 7.7980 113.5335 55.0727 42.6205 178.4973 *90 G 3.7012 7.8026 105.9015 45.7500 0.0000 173.2051 *92 S 4.4621 7.9442 116.5174 58.5812 65.4141 175.3529 93 G 3.9514 7.6113 106.7196 44.1812 0.0000 172.5340 94 K 4.0170 8.4110 120.2774 56.2765 32.4406 178.1087 95 A 4.2215 9.1696 129.8728 51.5501 16.9843 175.9196 96 N 5.0155 7.9176 118.5267 50.5070 41.2098 175.2750 97 E 2.5400 8.5144 117.4192 59.4981 29.2987 178.9448 98 T 3.9385 7.6311 109.1520 64.6288 68.9638 176.7138 99 G 3.5409 8.5376 108.8058 47.3152 0.0000 175.9904 100 V 3.6554 8.1663 121.0912 65.9360 31.6598 178.2439 101 L 4.1451 7.9777 118.7466 57.5315 41.3820 179.4867 102 R 3.8624 7.9752 118.6918 59.6101 30.0773 178.6518 103 I 3.7686 8.0445 119.4075 64.2808 37.0290 178.1780 104 A 3.3998 8.5725 122.0396 55.1587 18.1502 179.9263 105 R 3.8126 7.9280 116.3811 59.4390 29.9092 179.0415 106 E 4.0163 7.9566 117.3316 59.2441 29.5538 178.9510 107 V 4.1388 7.5938 109.4144 60.9211 31.8127 176.7361 108 G 3.8543 7.7505 106.8817 45.7924 0.0000 173.9846 109 L 4.1140 7.5653 119.0610 53.8879 42.2602 177.2453 110 D 4.4905 9.1053 122.6463 54.0773 41.6625 177.3930 111 T 3.9434 8.4001 119.0988 64.3252 69.2296 176.5755 112 E 3.9496 8.1638 121.4908 59.3040 29.6033 178.6974 113 Q 3.9177 8.5306 119.6728 59.0234 28.9347 177.6602 114 L 3.9015 7.8030 120.2404 58.7237 42.1336 178.9383 115 Q 4.0965 7.9976 116.0171 58.6831 28.6304 178.7136 116 R 4.0733 7.6583 118.2430 58.9562 31.5188 179.0133 117 D 4.6000 8.3634 119.9550 54.1368 37.8045 177.5449 *119 E 4.2534 7.9021 117.3993 55.7633 32.3593 177.1947 120 A 4.1367 7.6972 122.8672 51.3127 19.0332 176.8416 121 P 4.3430 0.0000 0.0000 65.7432 31.2901 178.7921 122 E 3.9484 8.1688 116.9339 58.8651 29.4684 179.2920 123 V 3.5712 7.7300 119.6157 66.3351 31.5948 178.0348 124 T 3.8769 7.9301 114.7917 66.6159 68.3096 176.2832 125 A 3.9670 8.3318 122.9515 55.2314 18.3409 179.1179 126 H 3.9486 8.3288 116.6710 59.5741 29.7856 177.5272 127 I 3.7522 7.6204 119.8587 64.4053 37.0221 177.9181 128 A 4.1557 8.0248 120.6547 55.3199 18.4227 179.2095 129 Q 4.0529 8.1335 118.0232 58.9795 28.9528 178.9494 130 S 4.1527 7.9957 114.2742 58.6998 62.6912 176.0492 *132 A 4.1900 7.9775 126.3955 52.3007 20.5002 180.0417 133 L 3.8475 8.2061 115.9207 57.7011 41.5948 179.4665 134 A 3.0525 7.8524 121.0327 54.8482 17.9190 179.4759 135 Q 3.7587 7.6190 117.4218 59.1142 28.9835 178.0960 136 K 3.7682 7.7013 119.5455 59.2267 32.3249 177.9741 137 L 3.9879 7.2795 116.2344 54.2072 41.6862 177.4723 138 G 3.7692 7.1314 106.7810 45.8877 0.0000 173.4546 139 F 4.7086 7.6349 118.7989 57.0911 39.1921 175.2941 140 N 4.8079 8.7796 123.2649 53.7518 39.6480 174.0149 141 G 3.8623 7.3310 103.7738 46.3098 0.0000 172.1253 142 T 4.7272 8.1838 108.6039 58.7414 71.3240 171.9142 143 P 4.7783 0.0000 0.0000 63.0434 32.4736 175.5907 144 S 4.4673 8.3499 116.3496 56.7177 67.1004 173.0282 145 F 5.5876 8.8410 120.3671 55.7889 43.3684 174.0064 146 V 5.0281 9.2308 120.9806 61.3458 34.6314 174.7230 147 V 4.7750 8.9359 127.2393 60.8464 33.7123 177.0678 148 E 3.7263 9.1740 131.1857 57.8670 29.2716 177.6846 149 D 4.5931 9.2289 128.2756 56.2004 41.3990 175.7070 150 A 4.5869 8.2174 123.5448 50.9114 20.1362 175.7180 151 L 5.0403 8.3955 121.2571 53.2674 43.7152 177.2497 152 V 4.3904 9.0582 124.2822 60.1211 31.5357 172.5632 153 P 4.4596 0.0000 0.0000 58.9320 29.5379 175.0269 154 G 3.9553 7.2803 110.7632 46.4571 0.0000 170.5272 155 F 4.6749 8.7087 122.4130 58.4500 39.8324 175.0134 156 V 4.1927 7.0279 117.0122 58.4383 35.6575 175.6237 157 E 4.1679 8.7212 122.7967 55.5982 31.2635 178.2143 158 Q 3.8791 9.4241 121.8605 59.6709 29.0377 178.9667 159 S 4.1241 8.0165 114.5046 61.6015 62.8951 176.3579 160 Q 3.9516 7.8661 121.1069 58.4459 28.5012 178.1682 161 L 3.7993 7.8183 120.1134 57.7900 41.6617 179.3427 162 Q 3.8836 8.4638 119.8017 59.0944 28.8878 177.6708 163 D 4.2716 8.2041 118.8465 57.3732 41.2840 178.1099 164 A 3.9520 7.9620 121.1659 55.1020 18.3583 179.7780 165 V 3.5133 7.9900 116.8451 66.3206 31.6722 177.9612 166 D 4.3736 8.5128 118.9934 57.5811 40.6386 179.1429 167 R 3.9673 8.3985 118.5728 58.9080 29.9620 178.8748 168 A 4.0110 8.1042 120.7742 55.3349 18.1626 179.9518 169 R 3.9052 7.8260 115.4197 59.2966 30.1893 179.1064 170 K 4.0818 8.0087 117.2757 59.3262 32.1050 178.8286 171 A 4.1921 7.9331 119.6698 54.1444 18.5740 177.7192 172 A 4.2467 7.6312 123.1468 52.5860 18.6058 177.0742 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 0 A 8.11 4.29 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 1 N 7.95 4.32 0.00 2.91 2.98 0.00 0.00 6.13 6.77 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 2 R 8.55 3.41 0.00 1.84 2.03 0.00 3.21 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 3 D 8.00 4.38 0.00 2.88 2.70 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 0.00 0.00 0.00 4 S 7.87 4.10 0.00 3.86 3.84 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 5 L 7.35 4.13 0.00 0.86 1.23 0.64 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.34 5.21 0.00 3.01 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 7 N 8.11 5.00 0.00 2.82 2.79 0.00 0.00 6.92 7.52 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 8 D 8.16 4.56 0.00 2.79 2.52 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 9 P 0.00 4.34 0.00 2.20 2.16 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 10 N 8.74 4.60 0.00 2.64 2.92 0.00 0.00 6.95 7.50 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 11 A 7.63 4.74 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 12 P 0.00 4.23 0.00 1.82 1.32 0.00 3.68 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.21 0.00 13 V 8.18 4.76 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 0.83 0.00 0.00 0.94 0.00 0.00 14 L 8.25 4.63 0.00 1.43 1.53 0.44 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.68 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 0.00 0.00 0.00 16 N 8.82 4.70 0.00 2.83 2.70 0.00 0.00 7.62 8.56 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 17 P 0.00 4.31 0.00 2.07 2.09 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 18 E 8.22 4.61 0.00 1.94 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 0.00 2.24 2.36 0.00 19 G 7.81 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 20 D 8.29 4.63 0.00 2.62 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 21 V 7.54 4.47 2.04 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 1.05 0.00 0.00 0.95 0.00 0.00 22 T 9.00 4.82 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 1.06 0.00 0.00 23 V 8.93 4.84 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 0.95 0.00 0.00 24 V 9.33 5.09 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 1.08 0.00 0.00 1.31 0.00 0.00 25 E 9.37 5.01 0.00 2.41 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 0.00 2.18 1.47 0.00 26 F 9.19 5.22 0.00 2.95 3.17 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 27 F 7.92 5.21 0.00 2.93 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 28 D 8.45 4.92 0.00 2.71 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.98 4.30 0.00 3.07 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 30 N 8.77 4.78 0.00 2.81 2.83 0.00 0.00 6.89 7.30 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 31 C 8.00 4.38 0.00 3.00 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 32 P 0.00 4.20 0.00 1.98 1.94 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 33 Y 7.94 4.14 0.00 3.11 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 34 C 8.18 4.30 0.00 3.17 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 35 R 7.99 4.12 0.00 1.94 2.02 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 36 R 8.24 4.08 0.00 1.85 2.06 0.00 2.77 0.00 0.00 2.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 37 A 8.51 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 7.75 4.16 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 40 E 7.69 3.98 0.00 2.17 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 0.00 2.67 2.61 0.00 41 V 8.24 3.67 2.42 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 1.40 0.00 0.00 1.36 0.00 0.00 42 Q 8.23 4.00 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 1.16 1.58 0.00 43 G 8.17 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.96 3.88 0.00 1.75 1.89 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.69 3.61 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 0.95 0.00 0.00 1.09 0.00 0.00 46 D 8.20 4.45 0.00 2.82 2.68 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 0.00 0.00 0.00 0.00 47 A 7.73 4.60 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 48 D 8.20 4.62 0.00 2.79 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 49 P 0.00 4.58 0.00 2.22 2.13 0.00 3.76 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 1.98 1.94 0.00 50 N 8.60 4.96 0.00 2.85 2.83 0.00 0.00 6.65 6.99 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 51 V 7.46 4.53 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 0.97 0.00 0.00 0.96 0.00 0.00 52 R 8.90 4.80 0.00 1.91 1.79 0.00 3.16 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 53 L 8.76 5.22 0.00 1.51 1.37 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 V 9.02 4.89 2.21 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 1.03 0.00 0.00 0.98 0.00 0.00 55 Y 8.75 5.64 0.00 2.93 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 56 R 8.61 4.29 0.00 0.67 1.05 0.00 3.02 0.00 0.00 2.86 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 57 E 8.74 3.38 0.00 1.87 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 0.00 2.38 2.28 0.00 58 W 8.26 5.44 0.00 3.21 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.53 3.92 0.00 3.36 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 68 A 8.56 3.99 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 69 A 8.33 4.59 1.49 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 0.00 0.00 0.00 70 R 8.29 3.87 0.00 1.81 1.90 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 71 A 8.35 3.98 1.52 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 72 A 8.13 4.05 1.39 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 0.00 0.00 73 L 8.33 4.21 0.00 1.88 1.74 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.64 4.08 1.40 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 0.00 0.00 0.00 75 A 8.23 4.08 1.60 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 76 R 8.10 3.97 0.00 2.00 2.03 0.00 3.00 0.00 0.00 2.82 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 77 Q 8.17 4.25 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 78 Q 7.88 4.47 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 79 G 8.09 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 80 K 7.84 4.67 0.00 1.76 1.74 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.54 7.81 81 Y 8.53 4.11 0.00 3.17 3.06 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 82 E 8.33 3.63 0.00 2.15 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 2.57 2.18 0.00 83 A 8.05 4.19 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 84 F 8.28 4.40 0.00 3.08 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 85 H 7.89 3.70 0.00 2.37 2.92 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.71 4.77 0.00 3.33 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 87 A 8.00 4.30 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.80 3.96 0.00 1.06 1.01 -0.88 0.48 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 *90 G 7.80 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 *92 S 7.94 4.46 0.00 3.90 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 93 G 7.61 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 1.00 0.00 0.00 128 A 8.02 4.16 1.36 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 0.00 0.00 129 Q 8.13 4.05 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 130 S 8.00 4.15 0.00 4.08 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 *132 A 7.98 4.19 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 0.00 133 L 8.21 3.85 0.00 1.78 1.85 0.84 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.85 3.05 -0.18 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 0.00 135 Q 7.62 3.76 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 136 K 7.70 3.77 0.00 1.72 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.37 7.81 137 L 7.28 3.99 0.00 0.27 0.39 0.51 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.13 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 0.00 0.00 0.00 139 F 7.63 4.71 0.00 2.59 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.78 4.81 0.00 2.74 2.90 0.00 0.00 7.00 7.98 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 0.00 141 G 7.33 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 0.00 142 T 8.18 4.73 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 1.19 0.00 0.00 143 P 0.00 4.78 0.00 1.91 2.14 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 144 S 8.35 4.47 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 0.00 145 F 8.84 5.59 0.00 3.04 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 0.00 146 V 9.23 5.03 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.31 0.00 0.00 147 V 8.94 4.78 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 1.06 0.00 0.00 0.98 0.00 0.00 148 E 9.17 3.73 0.00 2.16 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 2.19 2.39 0.00 149 D 9.23 4.59 0.00 2.72 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 0.00 150 A 8.22 4.59 1.34 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 0.00 0.00 151 L 8.40 5.04 0.00 1.64 1.86 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 152 V 9.06 4.39 2.21 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 1.07 0.00 0.00 0.98 0.00 0.00 153 P 0.00 4.46 0.00 2.13 2.23 0.00 3.96 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 2.01 2.08 0.00 154 G 7.28 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 0.00 155 F 8.71 4.67 0.00 2.80 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 0.00 156 V 7.03 4.19 1.74 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 0.65 0.00 0.00 0.35 0.00 0.00 157 E 8.72 4.17 0.00 1.92 1.84 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 2.45 2.36 0.00 158 Q 9.42 3.88 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 159 S 8.02 4.12 0.00 4.06 4.09 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 0.00 160 Q 7.87 3.95 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 161 L 7.82 3.80 0.00 1.70 1.57 0.59 0.18 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 0.00 162 Q 8.46 3.88 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 163 D 8.20 4.27 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 0.00 164 A 7.96 3.95 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 0.00 165 V 7.99 3.51 2.19 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 1.06 0.00 0.00 0.97 0.00 0.00 166 D 8.51 4.37 0.00 2.81 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 0.00 167 R 8.40 3.97 0.00 1.84 1.98 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 168 A 8.10 4.01 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 0.00 169 R 7.83 3.91 0.00 1.96 2.00 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 170 K 8.01 4.08 0.00 1.95 1.88 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 171 A 7.93 4.19 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 0.00 172 A 7.63 4.25 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 * Residues marked with a * may have inaccurate shift predictions.