NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4107 8.0433 122.5004 55.1811 43.9870 178.9059 3 R 3.8320 7.9616 116.2384 58.3755 29.6664 177.1567 4 D 4.4681 8.7861 119.9497 57.4264 41.6347 178.3430 5 R 3.9873 7.9425 118.0683 59.3911 29.9421 179.2125 6 V 3.3529 7.5346 117.5563 65.5767 31.1875 178.2741 7 K 3.9269 7.4574 116.6612 59.1699 31.7751 178.2405 8 K 4.1294 7.6535 116.0620 57.4274 32.4278 176.5979 9 L 4.5075 7.3555 122.1536 55.1736 42.3155 176.3490 10 K 4.6277 9.3705 123.9652 55.7346 35.5125 175.7879 11 L 5.1261 7.8450 121.3079 52.9270 45.8781 174.7262 12 L 5.0731 9.1290 127.9074 53.6145 44.8716 175.9048 13 I 5.2578 8.3664 127.5347 59.1884 40.0032 174.5021 *15 D 4.6495 8.3375 121.8221 54.8496 41.8986 175.9645 16 I 4.1158 7.9979 120.4101 63.7250 37.9978 175.8317 17 D 4.6864 7.8979 119.2549 55.1993 41.1655 177.2175 18 G 4.5142 8.5136 111.2640 46.5848 0.0000 173.2676 19 V 4.1842 7.4813 116.2756 64.3461 33.2325 177.1072 20 L 4.2640 8.4389 118.9413 55.9356 41.7952 176.6309 21 T 4.6284 7.4409 114.3003 61.6509 72.2984 173.7293 22 D 4.5890 8.6880 120.7065 53.5642 39.8899 177.5452 23 G 3.9680 8.1546 108.6206 45.2069 0.0000 174.2080 24 K 3.9275 7.9573 119.0700 56.2173 32.5440 176.0360 25 L 4.4870 7.9027 123.4177 53.5115 44.6147 175.1670 26 Y 4.4822 8.5763 124.6819 56.9260 39.3574 174.1715 27 Y 5.2562 8.3350 121.9125 55.6962 41.0971 176.5578 *33 T 4.3670 8.1879 119.3683 62.3730 68.5468 173.8067 34 I 4.4844 7.9638 121.1993 59.4718 39.1806 175.8216 35 K 4.6082 8.6448 125.2768 54.4791 33.7067 176.0473 36 V 4.4351 8.3802 122.6596 59.6947 33.2459 174.8116 37 F 4.7581 8.5252 125.5178 56.0152 42.6245 173.2752 38 N 4.4266 7.2439 125.5081 52.2642 39.2388 175.6180 39 V 3.7351 8.4315 126.1624 66.2661 31.4630 177.7155 40 L 4.0273 8.1309 118.7340 57.8260 41.3284 179.1927 41 D 4.4619 7.8988 118.9289 56.9883 40.5408 178.8941 42 G 3.8299 8.2175 105.9624 48.1552 0.0000 175.6691 43 I 3.9175 7.8295 122.1061 63.8251 37.0527 178.8861 44 G 3.6136 8.1082 106.8641 47.6683 0.0000 175.8416 45 I 3.7577 8.0319 122.4424 64.2846 37.1006 178.7525 46 K 4.2815 7.8590 120.3443 58.7102 31.5918 179.2812 47 L 3.9225 7.5904 119.5555 58.1190 42.2581 178.6687 48 L 4.1346 8.0056 118.9588 57.9674 41.6078 179.5974 49 Q 4.0376 8.2579 118.0420 58.4471 28.3728 179.2539 50 K 4.1412 8.0233 118.8562 56.4961 32.2022 177.2806 *52 G 3.8138 7.8556 103.6533 44.5288 0.0000 172.7305 53 I 4.4839 7.8010 121.0849 59.6885 38.4564 175.8962 54 T 4.1569 8.8816 125.1215 63.3427 69.5758 173.6665 55 L 5.2297 8.4621 124.9691 53.2697 44.5106 175.2639 56 A 5.1358 8.8058 122.9865 50.5931 23.3788 175.2911 57 V 4.6236 9.4353 113.0348 59.5303 35.5368 175.0927 58 I 4.8792 8.4767 125.2977 59.9032 38.8840 174.6327 59 S 4.7395 9.7378 122.7944 55.7661 65.5782 174.0512 60 G 3.2512 8.0717 110.2756 45.9595 0.0000 175.0500 *64 A 4.4145 8.2368 124.6017 51.4234 20.3604 178.2830 65 P 4.4673 0.0000 0.0000 65.0111 31.8142 177.4906 66 L 4.2303 7.9096 117.3085 55.8376 42.1377 178.8524 67 I 3.6925 7.5442 113.0767 64.3941 37.4847 178.3922 68 T 3.8105 7.7669 117.2594 66.1366 68.4698 176.5348 69 R 3.7343 7.7659 120.1475 59.1733 30.1441 178.3147 70 L 3.8894 7.8296 118.7617 57.8478 41.7182 179.7003 71 K 3.9759 8.3048 118.6582 59.5551 31.7495 179.3299 72 E 4.0220 7.9277 117.6446 58.7605 29.4265 178.4320 73 L 4.3942 7.4185 116.3969 54.7395 42.0295 177.3984 74 G 3.9303 7.6634 107.6262 45.1639 0.0000 173.5869 75 V 3.7544 7.5454 119.9026 62.1281 30.9403 175.2789 76 E 4.0524 7.5776 129.6181 58.5686 30.0728 176.6550 77 E 4.2434 8.0481 124.4894 56.4243 30.9207 175.6731 78 I 4.7896 8.1008 125.9529 59.7196 39.8015 174.7398 79 Y 4.8432 9.1015 125.7199 56.1804 40.7040 175.1975 80 T 4.8053 8.6992 113.5704 60.6154 71.6928 174.3090 81 G 3.9483 9.0814 115.9206 46.6646 0.0000 173.5095 82 S 4.4334 7.2172 110.4941 57.6900 65.3636 172.0144 83 Y 3.3854 7.0979 118.0801 58.3392 33.9318 169.4387 *85 K 4.3672 7.6013 120.3805 56.0791 34.9984 178.6642 86 L 4.2100 7.9662 121.2599 58.2736 41.5551 179.5608 87 E 4.1033 8.1768 117.8588 60.6942 29.6956 181.5771 88 I 3.9043 7.5924 118.6373 64.0034 37.3080 177.4101 89 Y 4.1857 8.1535 120.5906 60.7835 38.6308 177.8699 90 E 3.6518 8.2664 120.4795 58.6833 29.7633 178.4771 91 K 4.1592 7.6107 117.5845 58.8562 33.0770 179.2533 92 I 3.8820 7.3745 121.5343 64.0371 37.0636 178.0334 93 K 3.8267 7.8417 120.4829 59.5070 31.5419 178.3996 94 E 3.8831 7.9948 119.5387 59.0885 29.2950 178.5865 95 K 3.8416 7.7930 118.3991 59.3881 32.4056 177.5260 96 Y 4.3780 7.7553 112.7294 56.5597 39.0550 175.5051 97 S 3.7264 7.5435 114.3243 59.8403 61.0434 171.9670 98 L 4.9054 7.6925 117.7386 52.9537 44.2830 177.3191 99 K 4.4641 9.5964 122.0060 55.1777 33.7481 177.9981 100 D 4.7184 8.9960 119.2135 57.0822 40.7555 179.1296 101 E 4.1382 8.1963 115.0646 58.4558 29.9668 177.1312 102 E 4.6269 7.9943 117.8960 55.8489 30.3393 175.2879 103 I 5.0981 7.6214 120.0355 59.4776 40.6349 174.6257 104 G 4.7343 9.1666 111.2320 44.6591 0.0000 171.4347 105 F 5.1431 8.9368 121.7533 56.4993 43.1321 173.1102 106 I 5.0280 8.4599 127.6444 59.8334 38.7204 174.9639 107 G 4.6263 9.0300 114.1328 45.1547 0.0000 171.9755 108 D 4.8823 8.9312 113.7708 52.8661 42.2842 174.1068 109 D 5.2795 8.3122 120.4238 52.2414 43.6785 177.2033 110 V 3.7562 8.3728 118.3733 64.3806 31.2464 179.0846 111 V 3.7447 7.6834 117.7784 64.3006 31.6279 177.4587 112 D 4.2126 8.3444 119.4489 55.7281 40.5650 178.4172 113 I 3.6473 7.0224 119.9852 64.3858 37.0925 177.5149 114 E 4.0391 7.9144 119.5164 58.9269 29.5333 179.2180 115 V 3.8409 6.9215 116.2472 62.8690 30.7831 177.6690 *117 K 4.2508 8.0837 119.3485 55.8067 33.9615 177.6745 118 K 4.1443 7.4776 117.1978 59.1321 32.2479 178.3771 119 V 4.1148 7.1484 110.1697 61.2294 31.9463 176.6293 120 G 3.7672 8.6718 109.5231 48.3359 0.0000 174.0011 121 F 5.2893 8.1639 122.6033 55.7755 39.4132 171.0292 122 P 4.9471 0.0000 0.0000 61.9189 33.4330 176.2558 123 V 4.8562 9.4936 123.9933 60.9150 34.8338 173.9700 124 A 5.4318 8.3653 127.8837 49.2059 22.5364 175.8278 125 V 4.3705 8.0570 119.0885 61.3763 33.0725 176.9151 126 R 3.7853 8.1324 125.4724 59.5463 29.7799 177.4704 127 N 4.7407 7.2977 110.1184 52.6330 37.5021 175.0431 128 A 4.1975 7.5101 121.1886 51.9167 19.3482 179.1346 129 V 3.6164 8.2049 119.0558 63.2482 33.1987 176.7498 130 E 3.9032 8.9554 125.4179 59.7836 29.0562 179.0529 131 E 3.9392 8.0717 117.2187 59.3901 29.4542 179.0512 132 V 3.7060 7.6272 117.6836 66.0379 31.8790 178.2408 133 R 3.9961 8.0434 118.0985 58.7803 29.6580 178.7860 134 K 4.0915 8.0391 116.6473 58.5060 32.9573 177.6909 135 V 3.9841 7.2136 116.4850 62.5322 31.8413 175.1320 136 A 4.5610 7.3470 121.9992 51.8895 19.6151 178.0733 137 V 3.9412 8.1758 122.0301 64.0703 32.6343 176.1108 138 Y 4.8864 7.6843 121.2743 55.6941 42.4717 173.7374 139 I 4.7586 7.4262 126.3742 59.2062 39.6665 175.6913 140 T 4.0155 8.2107 117.6672 61.8004 69.4029 175.7685 141 Q 4.0289 9.7947 122.8648 58.3901 29.2033 177.3773 142 R 4.3904 8.3226 117.2183 55.7466 30.7880 177.2363 143 N 4.3176 9.0654 118.8529 54.2507 38.9972 176.2777 144 G 3.7350 8.0864 106.3403 47.1975 0.0000 174.0729 145 G 3.9208 8.1771 111.4510 45.0976 0.0000 173.6534 146 E 4.3351 7.7702 117.2832 55.4601 30.8806 175.9427 147 G 4.1235 8.1790 109.1932 45.9300 0.0000 176.1129 148 A 4.0655 8.3307 124.1145 54.4300 18.3791 179.5998 149 L 4.0049 8.0787 119.2471 58.0368 42.1393 178.9570 150 R 3.8949 8.1229 118.4437 59.2784 30.0455 177.9181 151 E 4.2312 8.0254 119.9696 58.7792 29.6812 179.0441 152 V 3.6739 7.8286 117.5692 65.9314 31.6697 177.5715 153 A 4.0328 8.0306 120.8746 55.4179 17.7121 179.4102 154 E 4.0936 8.4238 115.6914 58.9073 29.8025 178.9851 155 L 3.9367 8.0507 121.5606 58.0565 41.6987 178.8939 156 I 3.5142 7.6903 119.6565 64.6016 37.0819 177.6687 157 H 4.0985 8.1002 118.8885 59.3600 29.4317 176.8378 158 F 3.9227 8.1772 120.8515 61.3282 39.4060 176.6845 159 L 4.2028 8.1253 115.6758 56.1323 41.5118 178.3454 160 K 4.2381 7.1041 117.3818 56.5833 33.1771 175.7335 161 N 3.7430 7.5639 121.0184 54.3943 40.5459 173.6987 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 2 L 8.04 4.41 0.00 1.82 1.78 1.19 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 3 R 7.96 3.83 0.00 1.90 1.96 0.00 3.27 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 4 D 8.79 4.47 0.00 2.70 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 5 R 7.94 3.99 0.00 2.06 2.20 0.00 3.29 0.00 0.00 3.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 6 V 7.53 3.35 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 0.85 0.00 0.00 0.27 0.00 0.00 7 K 7.46 3.93 0.00 1.92 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.75 1.52 7.81 8 K 7.65 4.13 0.00 2.02 1.85 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.36 7.81 9 L 7.36 4.51 0.00 1.53 1.53 1.03 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.37 4.63 0.00 1.65 1.74 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.33 7.81 11 L 7.84 5.13 0.00 1.52 1.41 0.28 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.13 5.07 0.00 1.75 1.47 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.37 5.26 1.45 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 1.26 0.25 0.68 0.00 0.00 *15 D 8.34 4.65 0.00 2.75 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 16 I 8.00 4.12 1.90 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 1.46 0.63 0.97 0.00 0.00 17 D 7.90 4.69 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 4.51 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 0.00 0.00 0.00 19 V 7.48 4.18 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 1.07 0.00 0.00 1.00 0.00 0.00 20 L 8.44 4.26 0.00 2.01 1.75 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.44 4.63 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 1.28 0.00 0.00 22 D 8.69 4.59 0.00 2.76 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 23 G 8.15 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 24 K 7.96 3.93 0.00 1.86 1.32 0.00 1.42 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.64 1.59 7.81 25 L 7.90 4.49 0.00 1.40 1.24 0.64 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.58 4.48 0.00 3.00 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 27 Y 8.33 5.26 0.00 2.80 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 *33 T 8.19 4.37 4.26 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 1.24 0.00 0.00 34 I 7.96 4.48 1.99 0.00 0.00 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 1.72 1.18 0.86 0.00 0.00 35 K 8.64 4.61 0.00 2.03 1.78 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 0.97 7.81 36 V 8.38 4.44 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 0.87 0.00 0.00 0.94 0.00 0.00 37 F 8.53 4.76 0.00 2.91 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 38 N 7.24 4.43 0.00 2.48 2.47 0.00 0.00 6.78 7.71 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 39 V 8.43 3.74 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 1.04 0.00 0.00 0.99 0.00 0.00 40 L 8.13 4.03 0.00 1.83 1.67 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.90 4.46 0.00 2.43 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 42 G 8.22 3.83 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 0.00 43 I 7.83 3.92 2.02 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 1.70 1.32 0.92 0.00 0.00 44 G 8.11 3.61 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 0.00 0.00 0.00 45 I 8.03 3.76 2.09 0.00 0.00 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 1.57 1.01 0.97 0.00 0.00 46 K 7.86 4.28 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.32 7.81 47 L 7.59 3.92 0.00 1.69 1.87 0.81 1.28 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 48 L 8.01 4.13 0.00 1.93 1.70 0.97 0.91 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 49 Q 8.26 4.04 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 50 K 8.02 4.14 0.00 1.81 2.00 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *52 G 7.86 3.81 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 0.00 0.00 0.00 53 I 7.80 4.48 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.89 0.00 0.00 54 T 8.88 4.16 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 0.92 0.00 0.00 55 L 8.46 5.23 0.00 1.58 1.54 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.81 5.14 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 57 V 9.44 4.62 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 0.72 0.00 0.00 0.96 0.00 0.00 58 I 8.48 4.88 2.08 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.97 0.00 0.00 59 S 9.74 4.74 0.00 3.84 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 60 G 8.07 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 0.00 0.00 0.00 *64 A 8.24 4.41 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 65 P 0.00 4.47 0.00 2.09 2.17 0.00 3.71 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 2.15 0.00 66 L 7.91 4.23 0.00 1.80 1.74 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.54 3.69 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.15 0.97 0.00 0.00 68 T 7.77 3.81 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 1.18 0.00 0.00 69 R 7.77 3.73 0.00 1.64 1.49 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.46 0.00 70 L 7.83 3.89 0.00 1.99 1.67 0.91 0.73 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 71 K 8.30 3.98 0.00 1.83 1.83 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.35 7.81 72 E 7.93 4.02 0.00 2.39 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 2.34 2.22 0.00 73 L 7.42 4.39 0.00 1.75 1.70 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.66 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 75 V 7.55 3.75 2.15 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 0.80 0.00 0.00 0.98 0.00 0.00 76 E 7.58 4.05 0.00 2.21 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 0.00 2.53 2.45 0.00 77 E 8.05 4.24 0.00 2.08 2.30 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 2.68 2.68 0.00 78 I 8.10 4.79 1.79 0.00 0.00 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 1.34 0.74 0.89 0.00 0.00 79 Y 9.10 4.84 0.00 2.85 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 80 T 8.70 4.81 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 1.22 0.00 0.00 81 G 9.08 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 0.00 0.00 0.00 82 S 7.22 4.43 0.00 3.81 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 83 Y 7.10 3.39 0.00 3.24 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 *85 K 7.60 4.37 0.00 1.81 1.93 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.63 7.81 86 L 7.97 4.21 0.00 1.76 1.77 0.90 1.03 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 87 E 8.18 4.10 0.00 1.97 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 2.31 1.97 0.00 88 I 7.59 3.90 1.74 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 1.36 1.01 0.01 0.00 0.00 89 Y 8.15 4.19 0.00 3.05 3.21 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 90 E 8.27 3.65 0.00 2.39 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 2.29 2.29 0.00 91 K 7.61 4.16 0.00 2.16 2.02 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.41 7.81 92 I 7.37 3.88 2.05 0.00 0.00 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 1.62 1.15 1.04 0.00 0.00 93 K 7.84 3.83 0.00 1.53 1.74 0.00 1.63 0.00 0.00 0.75 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.41 7.81 94 E 7.99 3.88 0.00 2.24 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 2.29 2.34 0.00 95 K 7.79 3.84 0.00 1.81 2.10 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.08 0.74 7.81 96 Y 7.76 4.38 0.00 3.03 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 97 S 7.54 3.73 0.00 4.05 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 98 L 7.69 4.91 0.00 1.68 1.60 0.89 0.94 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 99 K 9.60 4.46 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.42 7.81 100 D 9.00 4.72 0.00 2.82 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 0.00 101 E 8.20 4.14 0.00 2.11 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 0.00 2.31 2.37 0.00 102 E 7.99 4.63 0.00 2.16 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 2.43 2.26 0.00 103 I 7.62 5.10 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.62 1.15 0.00 0.00 104 G 9.17 4.73 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 0.00 105 F 8.94 5.14 0.00 3.04 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 0.00 106 I 8.46 5.03 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.93 0.00 0.00 107 G 9.03 4.63 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 0.00 0.00 0.00 108 D 8.93 4.88 0.00 2.78 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 0.00 109 D 8.31 5.28 0.00 2.83 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 0.00 110 V 8.37 3.76 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 0.87 0.00 0.00 0.91 0.00 0.00 111 V 7.68 3.74 2.17 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 0.96 0.00 0.00 1.06 0.00 0.00 112 D 8.34 4.21 0.00 2.58 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 0.00 0.00 0.00 0.00 113 I 7.02 3.65 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.49 0.84 0.00 0.00 114 E 7.91 4.04 0.00 2.00 1.86 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 2.34 2.38 0.00 115 V 6.92 3.84 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 0.26 0.00 0.00 0.78 0.00 0.00 *117 K 8.08 4.25 0.00 1.92 1.85 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.59 7.81 118 K 7.48 4.14 0.00 1.79 1.94 0.00 1.89 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.41 7.81 119 V 7.15 4.11 2.28 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 0.60 0.00 0.00 1.01 0.00 0.00 120 G 8.67 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 0.00 121 F 8.16 5.29 0.00 3.04 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 0.00 122 P 0.00 4.95 0.00 2.17 2.11 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 123 V 9.49 4.86 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 1.00 0.00 0.00 0.40 0.00 0.00 124 A 8.37 5.43 1.17 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 0.00 0.00 125 V 8.06 4.37 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 1.40 0.00 0.00 0.92 0.00 0.00 126 R 8.13 3.79 0.00 1.98 2.07 0.00 3.26 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 127 N 7.30 4.74 0.00 2.91 2.97 0.00 0.00 7.09 7.14 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 0.00 128 A 7.51 4.20 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 0.00 129 V 8.20 3.62 2.06 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 1.00 0.00 0.00 0.92 0.00 0.00 130 E 8.96 3.90 0.00 2.09 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 0.00 2.36 2.46 0.00 131 E 8.07 3.94 0.00 1.93 1.97 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 2.29 2.41 0.00 132 V 7.63 3.71 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 1.04 0.00 0.00 0.96 0.00 0.00 133 R 8.04 4.00 0.00 2.00 1.91 0.00 3.11 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 134 K 8.04 4.09 0.00 1.85 1.97 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.35 7.81 135 V 7.21 3.98 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 0.70 0.00 0.00 0.89 0.00 0.00 136 A 7.35 4.56 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 0.00 137 V 8.18 3.94 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 0.69 0.00 0.00 1.03 0.00 0.00 138 Y 7.68 4.89 0.00 3.01 2.59 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 0.00 0.00 0.00 0.00 139 I 7.43 4.76 1.63 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.82 0.00 0.00 140 T 8.21 4.02 4.44 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 1.33 0.00 0.00 141 Q 9.79 4.03 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 142 R 8.32 4.39 0.00 1.87 1.82 0.00 3.10 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 143 N 9.07 4.32 0.00 3.01 2.85 0.00 0.00 7.27 8.51 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 0.00 144 G 8.09 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 0.00 145 G 8.18 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 0.00 146 E 7.77 4.34 0.00 1.93 1.97 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 2.21 2.26 0.00 147 G 8.18 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 0.00 0.00 0.00 148 A 8.33 4.07 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 0.00 149 L 8.08 4.00 0.00 1.81 1.95 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.12 3.89 0.00 2.08 2.09 0.00 3.30 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 151 E 8.03 4.23 0.00 2.15 2.20 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 2.51 2.27 0.00 152 V 7.83 3.67 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 1.21 0.00 0.00 1.18 0.00 0.00 153 A 8.03 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.42 4.09 0.00 2.27 2.24 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 2.53 2.32 0.00 155 L 8.05 3.94 0.00 1.74 1.77 0.61 0.06 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 0.00 156 I 7.69 3.51 1.97 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 0.99 0.75 0.80 0.00 0.00 157 H 8.10 4.10 0.00 3.27 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.18 3.92 0.00 3.14 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 0.00 159 L 8.13 4.20 0.00 1.76 1.67 1.15 0.88 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 0.00 160 K 7.10 4.24 0.00 1.93 1.75 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 161 N 7.56 3.74 0.00 2.60 2.52 0.00 0.00 7.11 7.24 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 * Residues marked with a * may have inaccurate shift predictions.