NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7340 8.3549 109.7542 45.2660 0.0000 175.3421 *2 F 4.3299 8.4839 122.7801 56.9887 39.7611 173.4475 3 A 4.8816 8.4516 124.7092 50.3193 22.0626 175.3000 4 S 4.7462 8.4575 113.0780 56.2002 64.8965 172.9374 5 L 4.6712 8.3596 128.2094 53.0288 44.1928 175.5042 6 V 4.0335 8.3247 125.7353 61.9360 32.3387 174.9730 7 I 4.6038 7.9924 127.4017 58.3464 40.4330 173.5491 8 P 4.3478 0.0000 0.0000 62.5512 31.9726 177.7213 9 V 3.6485 8.3738 120.7542 65.7790 31.2123 178.2689 10 S 4.1476 8.1164 112.9165 61.3472 62.8327 176.0056 11 A 4.1214 7.9472 124.4548 55.1524 18.1629 179.6367 12 Q 4.0185 7.9895 115.6152 58.5878 28.6172 178.3352 13 A 4.1757 7.7794 121.0226 54.1209 18.1218 177.6524 14 N 4.8290 7.6917 114.2306 53.0378 38.7757 177.2403 15 S 3.7633 7.8681 115.8483 59.8756 63.0044 175.6519 16 G 3.9648 7.9020 108.5878 45.0997 0.0000 173.5839 17 E 4.4043 7.9370 119.4629 53.3806 29.7606 173.5586 *19 P 4.2136 0.0000 0.0000 61.7520 34.1258 176.5375 20 Q 4.0114 8.5737 121.4227 59.4111 28.9208 178.7375 21 E 3.9698 8.1800 119.1178 59.5656 29.5795 179.2065 22 Q 3.9817 8.0109 117.3927 59.0918 29.0038 178.5738 23 Q 4.0304 8.1764 119.0495 58.8927 28.7548 178.7989 24 L 4.0569 8.3262 121.3061 58.1327 41.9511 178.6857 25 A 3.9963 7.7748 119.5972 55.2922 18.3287 179.4337 26 V 3.7016 7.6995 115.5113 66.1418 31.9105 178.0754 27 K 4.2004 8.0090 117.7934 59.5107 31.7796 178.8912 28 Y 2.9733 7.7074 115.3962 58.5706 38.3260 177.0893 *30 D 4.3597 8.0405 119.7303 54.0096 43.1588 177.6906 31 A 3.8090 7.8284 120.6549 54.8778 18.2805 179.2715 32 L 3.5531 7.5855 119.3536 58.5418 42.2525 179.3495 33 T 2.7464 7.3364 108.3273 63.4207 68.6767 175.3416 34 E 4.1516 7.4859 119.1347 55.8370 29.8931 175.7745 35 H 3.3573 7.2240 115.0756 56.9024 27.0033 176.1127 36 D 4.4380 7.4373 119.8788 53.3136 38.2895 175.0973 37 Y 4.2144 7.3258 121.6853 60.1654 38.1396 177.3187 38 K 3.9945 8.0709 119.7628 59.8727 32.7214 178.5358 39 T 4.0662 8.0516 115.4777 66.4827 68.4121 176.6353 40 L 4.0420 8.2103 122.5839 58.2199 42.1368 178.8683 41 I 3.8868 8.1865 118.6056 63.8259 37.6696 177.7389 42 T 3.9728 7.7046 109.5748 64.0609 68.7836 174.9423 43 F 4.4931 8.2387 119.5220 58.0205 39.4840 174.5829 44 Y 5.4571 7.7467 118.4237 56.1308 41.0509 174.6010 45 N 5.2679 8.7086 118.9961 51.1080 40.3239 174.9715 46 R 3.9028 8.5976 112.8351 58.9122 29.4651 177.3235 47 D 4.7485 8.2483 116.8273 54.2822 42.0092 176.8985 48 S 4.5917 7.9789 116.2579 58.7113 64.3516 173.0294 49 I 4.9801 8.6671 123.6519 59.4647 40.3502 174.2447 50 F 5.1810 9.2506 129.1303 56.4321 41.7736 173.7924 51 F 5.2552 8.7843 129.4426 56.4265 41.8417 173.7042 52 D 4.8049 8.8261 128.2326 53.2388 40.8060 176.9936 53 K 3.4975 8.5779 127.5940 58.9307 32.3837 180.2273 54 T 3.9271 7.9990 108.0453 64.0726 68.9097 174.9925 55 A 4.2083 8.7845 123.2445 51.5801 19.7947 176.0189 56 N 4.3067 7.7227 113.4173 54.7887 37.8559 175.0729 57 R 4.4495 8.5213 116.5775 54.4866 34.2837 176.2387 58 K 4.5914 8.3315 125.8625 54.7198 34.0843 174.5328 59 Y 4.5458 9.1974 126.3909 56.8433 39.9851 174.9307 60 T 4.8486 8.7411 120.1000 62.6212 71.6361 174.2944 61 G 3.8781 9.5933 115.3581 45.3052 0.0000 174.4233 62 G 3.7710 8.9986 112.4506 48.3842 0.0000 175.6962 63 R 4.0254 7.8726 119.6327 58.9876 30.1265 179.0409 64 F 4.6305 8.0155 117.3142 60.4486 38.9296 177.6879 65 I 3.6534 8.0989 119.6758 64.5486 36.8678 178.5062 66 I 3.6720 8.0843 120.8287 64.4073 36.9471 177.9806 67 D 4.1902 8.1451 118.8804 57.2212 40.9471 178.0885 68 F 4.0776 8.0821 121.0772 61.2069 39.3307 177.1283 69 L 3.0627 7.5677 118.6837 57.4026 41.1524 179.1612 70 E 3.6551 7.4756 119.4515 58.6010 29.6683 178.7935 71 R 3.9531 7.8088 117.8478 59.2299 29.9407 178.8573 72 A 3.9277 7.7922 119.5040 54.6273 18.3754 178.4075 73 H 4.7346 7.7869 112.9180 54.3511 29.2373 174.1372 74 Q 4.0020 7.1227 123.0808 58.0086 28.9182 177.2814 75 G 3.9664 8.9603 113.6284 45.3265 0.0000 173.2206 76 V 3.9458 7.6654 120.3379 62.1570 32.1246 175.8860 77 L 4.4038 8.4082 126.8180 53.5043 42.5664 176.0516 78 E 4.1084 8.7108 120.4576 57.4461 29.6646 175.5981 79 Y 4.9419 8.1376 122.7789 55.3414 41.1401 174.3121 80 D 4.9512 8.8622 118.9576 52.4493 44.5328 175.5020 81 F 5.1923 8.7301 124.2764 56.9003 40.7224 174.9363 82 N 4.7003 9.1619 126.6498 51.8563 39.1090 174.4805 83 I 4.0058 7.7462 117.7832 60.0606 38.5502 175.7565 84 E 4.2600 8.8760 124.7340 59.0381 30.5449 175.1838 85 H 4.7237 7.6461 116.5103 55.5722 33.2467 171.7481 *87 Y 4.7328 8.2453 117.1379 57.0819 39.4715 173.4213 88 N 5.4523 8.6795 115.1264 51.4158 41.0574 174.2237 89 A 4.5667 8.9501 123.3284 50.8361 21.0887 177.2871 90 G 3.7170 8.2215 114.4169 48.1622 0.0000 172.9041 91 S 4.4935 8.6631 119.5044 57.7752 63.1274 172.3540 92 L 4.8601 7.9988 124.7254 54.1067 43.3083 175.1167 93 V 4.6253 8.7054 127.3785 61.2750 33.6739 174.8124 94 V 4.5434 8.2406 127.0845 60.7825 34.9838 174.2780 *96 I 4.0411 8.0929 121.3703 61.3989 38.4490 175.6349 97 G 3.7026 8.0040 112.4617 46.5890 0.0000 171.0252 98 N 5.6697 8.2388 117.7085 51.7570 42.8167 173.3918 99 Y 4.8086 9.3123 121.8672 57.4524 39.8328 173.9138 100 H 5.5616 9.5583 125.6764 54.7602 31.9042 172.9442 101 F 5.2195 9.2574 125.2424 55.5709 41.5713 174.8041 102 K 4.8537 9.5790 123.8129 53.6763 35.1525 176.6861 103 G 3.8769 8.2273 113.7855 44.4558 0.0000 169.5299 104 P 4.6370 0.0000 0.0000 63.4689 31.7613 176.4000 105 G 4.1106 8.9939 110.4511 45.4214 0.0000 175.1236 106 E 3.9371 8.4548 121.1271 59.7201 29.4097 179.3452 107 Q 4.0010 8.0212 114.1187 57.5678 28.9320 176.6582 108 F 4.4284 8.0302 115.4961 56.8757 39.1536 175.9866 109 G 3.9145 8.0760 107.6204 46.3013 0.0000 175.1324 110 K 4.6763 8.1357 116.4270 53.7821 32.4405 174.5266 111 P 4.5024 0.0000 0.0000 63.9452 32.2887 177.8578 112 G 3.9036 9.2205 108.7094 45.7207 0.0000 172.9860 113 K 4.7182 7.6811 118.2296 54.4891 36.1018 174.7840 114 I 4.8868 8.2367 122.1477 59.8268 38.8202 175.5664 115 I 4.6361 8.6762 120.6240 59.4174 40.9228 174.5330 116 D 5.0136 8.9138 122.6993 53.3954 43.5127 174.6978 117 V 4.8066 9.1088 119.0616 59.4862 36.3895 175.0174 118 A 5.1495 9.4966 124.8149 50.5839 21.3610 175.7599 119 I 4.4750 8.9236 124.3866 59.4055 39.4499 174.1311 120 P 4.9650 0.0000 0.0000 62.6785 32.5625 175.3623 121 A 5.0706 8.9682 122.9722 51.2661 23.4810 175.1673 122 V 4.7957 8.7048 119.1807 61.4064 34.5271 174.5626 123 T 5.2990 8.8483 123.8339 61.7468 71.4443 173.3449 124 S 5.0546 9.1175 120.5101 56.4375 66.5634 172.8794 125 L 5.0860 8.8074 121.6199 52.9020 45.0028 175.1702 126 K 4.8243 9.1968 126.0066 55.0201 33.7324 174.9640 127 L 5.1674 8.7068 127.6848 53.1564 44.2810 175.6188 128 D 4.6404 9.0289 122.4687 52.9339 43.4874 176.7473 *130 L 4.2130 8.3824 122.0889 54.7009 43.4728 177.0028 131 N 4.6625 8.3279 112.1404 52.1908 39.5253 174.6895 132 R 3.8529 7.9133 116.2500 57.5589 27.7563 175.7288 133 R 4.9882 8.0261 115.2415 54.3737 35.3094 176.6344 134 V 4.4115 8.9474 123.2336 62.6264 31.4928 175.9179 135 T 4.3351 9.0768 120.0134 63.9972 70.6595 174.6642 136 E 5.0742 8.0186 123.1223 55.1110 33.3886 173.1293 137 H 5.3462 9.6452 128.2107 54.6572 32.0234 173.1302 138 V 4.7730 8.8975 126.7192 61.2393 33.9207 173.7654 139 D 5.3304 8.8230 127.9793 52.6606 43.7423 175.5101 140 L 4.7860 9.0874 123.2836 53.0994 43.7514 174.7542 141 I 4.5325 8.5197 124.8440 59.2812 38.9577 176.7294 142 D 4.6306 8.6319 127.8668 53.1253 39.4657 175.2941 143 Y 4.3495 7.9318 120.6891 60.4660 38.8082 177.6394 144 Q 4.2034 8.3120 120.7012 59.4866 29.5409 178.8514 145 T 4.2929 8.0538 113.5172 63.8587 67.9242 176.4545 *147 S 4.4898 8.2176 119.6427 58.8459 64.9397 176.1259 148 D 4.4068 8.4245 119.3983 57.5101 40.5490 178.5985 149 Q 4.1579 7.9288 117.4505 59.0383 28.8267 178.5829 150 L 4.1641 7.9226 118.1033 57.1213 41.8848 179.9039 151 A 4.1782 7.8385 122.1383 51.6425 18.3689 177.3460 *153 Q 4.0568 8.1607 125.8822 57.7134 29.2809 175.6438 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 G 8.35 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 0.00 0.00 0.00 *2 F 8.48 4.33 0.00 3.10 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 3 A 8.45 4.88 1.22 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 0.00 0.00 0.00 4 S 8.46 4.75 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.67 0.00 1.58 1.50 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.32 4.03 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 0.85 0.00 0.00 0.92 0.00 0.00 7 I 7.99 4.60 1.85 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 1.62 1.05 0.90 0.00 0.00 8 P 0.00 4.35 0.00 2.19 2.16 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 9 V 8.37 3.65 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 1.05 0.00 0.00 0.86 0.00 0.00 10 S 8.12 4.15 0.00 4.05 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 0.00 11 A 7.95 4.12 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 12 Q 7.99 4.02 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 13 A 7.78 4.18 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 14 N 7.69 4.83 0.00 2.87 2.82 0.00 0.00 6.57 8.73 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 15 S 7.87 3.76 0.00 4.00 4.12 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 16 G 7.90 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 17 E 7.94 4.40 0.00 1.90 1.88 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 2.22 2.23 0.00 *19 P 0.00 4.21 0.00 2.19 2.08 0.00 3.62 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 2.17 2.16 0.00 20 Q 8.57 4.01 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 21 E 8.18 3.97 0.00 2.10 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 2.59 2.48 0.00 22 Q 8.01 3.98 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 23 Q 8.18 4.03 0.00 2.30 2.18 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 2.39 2.58 0.00 24 L 8.33 4.06 0.00 1.90 1.87 1.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.77 4.00 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 26 V 7.70 3.70 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 0.86 0.00 0.00 0.96 0.00 0.00 27 K 8.01 4.20 0.00 2.25 2.09 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.69 7.81 28 Y 7.71 2.97 0.00 1.89 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 *30 D 8.04 4.36 0.00 2.80 2.80 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 0.00 0.00 0.00 31 A 7.83 3.81 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 32 L 7.59 3.55 0.00 1.22 1.31 0.81 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.34 2.75 3.62 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 0.75 0.00 0.00 34 E 7.49 4.15 0.00 1.88 1.90 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 2.31 2.26 0.00 35 H 7.22 3.36 0.00 3.14 3.06 0.00 5.84 0.00 0.00 0.00 0.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.44 4.44 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.33 4.21 0.00 3.09 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 38 K 8.07 3.99 0.00 1.79 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.56 7.81 39 T 8.05 4.07 4.43 0.00 0.00 0.00 0.00 0.00 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 40 L 8.21 4.04 0.00 1.80 1.74 0.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.19 3.89 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.42 1.05 0.00 0.00 42 T 7.70 3.97 4.08 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 0.00 0.00 1.25 0.00 0.00 43 F 8.24 4.49 0.00 3.03 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 44 Y 7.75 5.46 0.00 3.06 2.80 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 0.00 0.00 0.00 45 N 8.71 5.27 0.00 2.86 2.98 0.00 0.00 6.95 7.18 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 46 R 8.60 3.90 0.00 1.93 2.19 0.00 2.91 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 47 D 8.25 4.75 0.00 2.80 2.74 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 48 S 7.98 4.59 0.00 3.84 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 49 I 8.67 4.98 1.91 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 1.09 0.97 0.92 0.00 0.00 50 F 9.25 5.18 0.00 3.17 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 51 F 8.78 5.26 0.00 2.80 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 52 D 8.83 4.80 0.00 3.04 2.80 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 0.00 0.00 0.00 53 K 8.58 3.50 0.00 1.53 1.46 0.00 1.21 0.00 0.00 1.34 0.00 0.00 2.71 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.21 7.81 54 T 8.00 3.93 4.47 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 1.28 0.00 0.00 55 A 8.78 4.21 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 56 N 7.72 4.31 0.00 2.86 2.86 0.00 0.00 6.91 8.27 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 57 R 8.52 4.45 0.00 1.89 1.77 0.00 3.16 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 58 K 8.33 4.59 0.00 0.79 1.07 0.00 0.92 0.00 0.00 1.26 0.00 0.00 2.62 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.96 0.74 7.81 59 Y 9.20 4.55 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 60 T 8.74 4.85 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 1.18 0.00 0.00 61 G 9.59 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 62 G 9.00 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 63 R 7.87 4.03 0.00 1.83 2.07 0.00 3.12 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 64 F 8.02 4.63 0.00 3.16 3.16 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 65 I 8.10 3.65 1.69 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.78 0.00 0.00 66 I 8.08 3.67 1.93 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.12 0.80 0.00 0.00 67 D 8.15 4.19 0.00 2.94 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 68 F 8.08 4.08 0.00 2.74 2.80 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 0.00 0.00 0.00 69 L 7.57 3.06 0.00 1.59 1.56 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.48 3.66 0.00 1.19 1.65 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 2.16 1.95 0.00 71 R 7.81 3.95 0.00 1.82 1.90 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 72 A 7.79 3.93 1.01 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 0.00 0.00 73 H 7.79 4.73 0.00 3.40 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.12 4.00 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 75 G 8.96 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 0.00 0.00 0.00 76 V 7.67 3.95 2.25 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 1.09 0.00 0.00 0.85 0.00 0.00 77 L 8.41 4.40 0.00 1.78 1.66 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.71 4.11 0.00 1.93 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 2.25 2.45 0.00 79 Y 8.14 4.94 0.00 2.45 2.29 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 80 D 8.86 4.95 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 5.19 0.00 2.72 2.82 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 82 N 9.16 4.70 0.00 2.61 2.69 0.00 0.00 6.43 6.90 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 83 I 7.75 4.01 1.54 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.37 -0.10 0.00 0.00 84 E 8.88 4.26 0.00 1.91 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 2.23 2.36 0.00 85 H 7.65 4.72 0.00 3.08 3.27 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.25 4.73 0.00 3.02 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 88 N 8.68 5.45 0.00 2.82 2.76 0.00 0.00 5.74 7.26 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 89 A 8.95 4.57 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 90 G 8.22 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.49 0.00 4.14 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 92 L 8.00 4.86 0.00 1.81 1.74 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.71 4.63 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 0.95 0.00 0.00 0.94 0.00 0.00 94 V 8.24 4.54 0.70 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 0.52 0.00 0.00 0.71 0.00 0.00 *96 I 8.09 4.04 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.95 0.00 0.00 97 G 8.00 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 98 N 8.24 5.67 0.00 2.62 2.75 0.00 0.00 7.41 7.06 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 99 Y 9.31 4.81 0.00 3.10 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 0.00 100 H 9.56 5.56 0.00 3.22 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.26 5.22 0.00 2.79 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 K 9.58 4.85 0.00 1.65 1.59 0.00 2.06 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.56 7.81 103 G 8.23 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 0.00 104 P 0.00 4.64 0.00 2.09 2.14 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 105 G 8.99 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 0.00 0.00 0.00 106 E 8.45 3.94 0.00 2.09 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 2.41 2.43 0.00 107 Q 8.02 4.00 0.00 1.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.24 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 108 F 8.03 4.43 0.00 3.10 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 0.00 109 G 8.08 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 0.00 110 K 8.14 4.68 0.00 1.89 1.72 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.50 7.81 111 P 0.00 4.50 0.00 2.18 2.06 0.00 3.92 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 112 G 9.22 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 0.00 113 K 7.68 4.72 0.00 1.84 1.70 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 114 I 8.24 4.89 1.87 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 1.41 0.83 0.96 0.00 0.00 115 I 8.68 4.64 1.65 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.75 0.86 0.00 0.00 116 D 8.91 5.01 0.00 2.66 2.56 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 0.00 117 V 9.11 4.81 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 0.55 0.00 0.00 0.76 0.00 0.00 118 A 9.50 5.15 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 0.00 119 I 8.92 4.47 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.15 0.99 0.00 0.00 120 P 0.00 4.96 0.00 2.12 2.02 0.00 3.97 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 121 A 8.97 5.07 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 0.00 122 V 8.70 4.80 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 1.09 0.00 0.00 0.99 0.00 0.00 123 T 8.85 5.30 4.41 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 1.28 0.00 0.00 124 S 9.12 5.05 0.00 3.87 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 0.00 125 L 8.81 5.09 0.00 1.46 1.39 0.75 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.20 4.82 0.00 1.83 1.68 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.46 7.81 127 L 8.71 5.17 0.00 1.54 1.56 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.03 4.64 0.00 2.70 2.56 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 *130 L 8.38 4.21 0.00 1.66 1.88 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.33 4.66 0.00 2.94 2.83 0.00 0.00 7.18 7.67 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 0.00 132 R 7.91 3.85 0.00 1.84 1.86 0.00 3.14 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 133 R 8.03 4.99 0.00 1.78 1.94 0.00 3.26 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 134 V 8.95 4.41 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 0.71 0.00 0.00 0.16 0.00 0.00 135 T 9.08 4.34 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 1.25 0.00 0.00 136 E 8.02 5.07 0.00 2.06 1.82 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 2.34 2.38 0.00 137 H 9.65 5.35 0.00 3.40 3.40 0.00 5.61 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 0.00 138 V 8.90 4.77 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 0.81 0.00 0.00 0.94 0.00 0.00 139 D 8.82 5.33 0.00 2.62 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 0.00 140 L 9.09 4.79 0.00 1.65 1.58 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.52 4.53 0.95 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 1.07 0.71 0.28 0.00 0.00 142 D 8.63 4.63 0.00 2.63 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 0.00 143 Y 7.93 4.35 0.00 3.07 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 0.00 144 Q 8.31 4.20 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.22 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 145 T 8.05 4.29 4.46 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 0.00 0.00 0.00 1.25 0.00 0.00 *147 S 8.22 4.49 0.00 4.12 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 0.00 148 D 8.42 4.41 0.00 2.84 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 0.00 149 Q 7.93 4.16 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 150 L 7.92 4.16 0.00 1.79 1.77 1.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.84 4.18 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 *153 Q 8.16 4.06 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.