NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4063 8.1633 120.6164 55.2410 34.3588 174.3041 2 K 4.4066 8.6963 125.9738 55.9562 32.7213 171.1013 3 V 4.7757 9.3944 119.9373 59.4105 36.1830 174.5750 4 I 5.0149 7.9216 120.8062 59.8488 41.0392 175.9443 5 L 4.9367 8.4330 126.3869 55.0655 44.1297 177.6077 6 L 4.5418 8.3051 118.8886 54.9165 41.7734 179.0610 7 E 3.8815 9.3345 121.6251 55.9034 31.4329 174.6568 8 P 4.7069 0.0000 0.0000 61.5880 30.3100 175.1841 9 L 4.1813 7.5461 124.0579 54.7708 42.9412 177.3332 10 E 4.2433 8.6086 123.5940 56.5040 30.5205 175.7128 11 N 4.2671 9.3237 115.1726 52.5601 37.3672 172.0457 12 L 4.0592 6.0642 117.8239 54.4201 40.5336 172.4098 13 G 4.5367 7.1114 115.8663 44.1286 0.0000 165.1653 14 D 4.2855 8.7889 126.0574 53.4766 39.5415 174.4966 15 V 3.6436 8.1389 117.4100 62.7453 32.0939 177.7541 16 G 3.9486 8.1253 107.8726 45.8228 0.0000 174.1888 17 Q 4.1858 7.4627 120.6305 55.9749 30.2788 175.0047 18 V 5.5512 8.0615 119.7988 60.8043 30.3536 174.9121 19 V 4.1353 7.5737 123.4475 61.7466 33.5344 176.2189 20 D 5.4084 8.3734 119.6851 52.5682 42.5190 175.7610 21 V 4.2612 8.1963 111.2348 61.1204 35.2775 173.2743 22 K 4.4062 8.8568 121.4225 56.1799 33.3095 175.3968 23 P 4.2995 0.0000 0.0000 65.9261 31.2345 178.7141 24 G 3.8576 8.3100 103.5667 47.8071 0.0000 174.4931 25 Y 4.4979 8.6968 121.7757 60.8472 38.8311 176.4385 26 A 3.9788 8.1948 122.5320 54.2823 18.2535 179.3564 27 R 3.8908 7.9245 117.3555 58.6054 30.4731 177.9354 28 N 4.9317 7.9312 113.5057 53.5340 40.2580 173.4414 29 Y 4.5123 7.8593 118.1412 58.6713 40.6664 176.7572 30 L 3.7579 7.9451 119.0386 57.1824 42.3804 179.5779 31 L 4.0785 8.1031 117.6954 57.2656 42.3952 178.1607 32 P 4.1444 0.0000 0.0000 65.7301 31.2798 177.4673 33 R 4.0858 7.8950 113.8250 55.1235 30.6491 176.5742 34 G 3.9471 8.6376 107.3445 46.8095 0.0000 173.4643 35 L 4.5453 7.5499 114.2237 53.7951 43.5468 176.4955 36 A 4.6812 6.6934 121.0229 52.3621 22.1241 175.6559 37 V 4.6419 7.9547 119.3233 63.2558 31.7353 174.5821 38 L 4.7252 8.1846 118.9200 52.1611 44.6236 176.1439 39 A 4.4596 9.3924 121.2169 56.4083 18.7035 178.9097 40 T 3.4522 7.0527 106.2723 60.1366 69.8782 174.4084 41 E 3.9558 8.8808 120.8703 58.5913 30.3573 175.3007 42 S 3.7911 7.9102 107.8816 62.9389 62.7436 175.7352 43 N 4.3211 7.4584 117.2069 56.0925 37.4202 177.0037 44 L 3.9192 7.6394 123.7697 58.8050 42.3549 179.6824 45 K 4.1321 8.5056 123.4145 59.4711 31.6541 180.6804 46 A 4.2062 7.7719 121.6517 55.4394 17.9298 179.3623 47 L 4.0552 8.8075 121.2604 59.1591 41.9256 179.8140 48 E 4.0062 9.2246 119.1776 60.5249 29.5649 182.4111 49 A 4.2121 8.4497 123.7233 56.0869 18.4019 180.6008 50 R 4.1571 7.8874 116.3573 60.5505 29.7942 180.4481 51 I 4.2285 7.4315 120.6956 65.5254 37.1514 178.9881 52 R 3.8530 8.1057 117.8913 59.2981 29.2965 180.3854 53 A 4.1816 8.4708 121.7666 54.1578 18.1603 178.2547 54 Q 4.5835 7.9158 112.1553 54.0157 30.1396 181.5484 55 A 4.7019 7.8109 121.4186 54.6887 20.0946 179.3612 56 K 4.0271 9.0801 122.9394 59.7231 31.5865 182.1613 57 R 4.2956 7.8597 118.5047 58.4486 30.1168 178.6076 58 L 3.8341 7.3294 117.2074 57.5725 41.9245 177.9163 59 A 4.2719 7.4501 117.6321 53.1442 17.9332 178.3262 60 E 4.1967 8.0523 121.3717 59.2857 29.9519 178.7669 61 R 4.0429 7.6123 122.5497 62.2678 29.5270 181.4997 62 K 4.1746 8.1116 123.8130 59.5329 31.4070 179.8967 63 A 4.7370 7.3333 117.9959 52.1694 18.2110 177.6771 64 E 4.6084 8.2045 115.3153 57.1030 31.8991 175.6664 65 A 4.7427 8.1775 119.1285 51.7764 19.9020 177.2691 66 E 4.6608 7.9858 116.1095 57.2854 32.9590 176.8953 67 R 4.7167 7.9472 116.5177 55.7403 30.0959 181.9897 68 L 4.6916 7.8215 122.2836 57.9964 46.9712 178.7521 69 K 3.9537 8.3169 121.2126 58.4500 31.7172 181.3222 70 E 4.6052 7.6650 114.9349 55.2468 29.8375 178.7823 71 I 4.6780 7.5641 113.2120 62.0036 44.3068 174.3992 72 L 4.8936 8.3186 122.2041 54.0561 42.0456 175.9735 73 E 4.6330 8.0016 116.6779 56.4616 32.6974 175.4689 74 N 4.5441 8.2114 114.9755 54.6016 38.1396 175.4902 75 L 4.2231 7.7078 120.1177 55.1782 42.7342 176.1712 76 T 4.3146 8.2524 111.9062 60.9301 71.1114 170.8278 77 L 3.5275 7.9658 128.3831 54.5160 42.9514 172.7495 78 T 5.0013 8.3575 120.4147 61.7661 70.9972 173.1454 79 I 4.3368 9.2771 127.9942 58.8403 38.7719 174.6129 80 P 4.8021 0.0000 0.0000 62.4193 28.7000 175.3452 81 V 3.9518 7.8429 125.4661 63.2193 34.2484 175.9429 82 R 4.4054 8.4422 120.8258 56.2640 31.5273 174.5905 83 A 5.0024 8.7276 133.2695 51.1723 25.1341 176.1149 84 G 3.0699 10.5707 115.6669 44.2449 0.0000 173.3077 85 E 3.8129 8.4922 131.0140 56.5809 28.4960 177.6004 86 T 4.9891 7.9142 119.8898 60.8602 68.3530 178.8613 87 K 3.8579 8.3561 119.6889 54.2564 32.0371 174.7762 88 I 4.2628 7.9149 121.9984 59.3398 37.6443 174.7899 89 Y 3.8132 6.8852 121.9001 62.3617 38.3925 177.5572 90 G 3.8262 7.9950 111.4600 45.6842 0.0000 173.1110 91 S 4.6928 8.1706 115.6645 56.5421 65.5321 173.8931 92 V 4.1749 7.6003 119.6213 61.1189 31.2419 174.0584 93 T 4.3907 8.8742 119.8344 60.3376 70.6543 173.8074 94 A 3.8078 8.2577 121.9929 56.3714 17.9686 180.2548 95 K 3.7900 7.9507 119.2417 60.0858 32.1205 180.8126 96 D 4.5268 7.5403 119.9614 57.2363 40.5068 178.7765 97 I 3.9614 7.9625 118.6373 62.9888 37.4590 176.9867 98 A 4.3174 7.6102 121.2431 53.8952 19.2454 178.7907 99 E 3.8477 8.4970 117.2629 58.3624 30.8183 178.0856 100 A 4.6768 7.3105 121.3336 48.4046 17.4318 176.7121 101 L 5.5072 6.9731 135.0000 55.5150 43.0760 174.7123 102 S 5.1138 7.5549 113.1488 58.5408 63.3826 175.5045 103 R 4.5014 7.6796 113.9380 57.6612 34.6664 176.9291 104 Q 4.2748 8.2353 116.4768 58.2374 29.2324 175.9949 105 H 4.6985 7.8365 109.9041 55.0426 31.4537 174.5810 106 G 3.8538 8.6359 105.7396 45.4503 0.0000 173.5037 107 V 4.1385 7.2434 120.2408 61.7790 33.4535 174.6284 108 T 4.9476 8.0884 114.7478 62.0581 72.0379 173.3832 109 I 4.7155 7.9904 123.3841 59.9853 41.2256 175.2573 110 D 4.8078 8.7959 123.6551 51.4041 39.8110 175.3412 111 P 4.4465 0.0000 0.0000 62.7817 31.3861 178.4118 112 K 4.3961 9.9835 121.0403 57.9418 34.9549 180.6327 113 R 4.5055 7.7924 118.0356 55.2173 28.4530 179.4154 114 L 4.4720 7.7261 118.1223 54.2100 43.6248 176.9819 115 A 3.6413 8.0025 120.5637 53.1058 15.4475 178.0817 116 L 4.6841 7.3615 120.6629 52.3787 45.0536 177.2849 117 E 4.5018 8.7451 133.1136 56.0977 28.9460 178.7236 118 K 4.0561 8.5036 118.2528 52.7194 32.2760 172.3413 119 P 4.3011 0.0000 0.0000 63.0294 31.5858 176.3094 120 I 2.3868 7.2880 118.0919 59.1820 37.8607 174.7554 121 K 3.7940 9.0927 122.7433 57.2140 30.9528 175.2706 122 E 4.5773 7.9976 112.3064 54.7064 32.0609 174.8225 123 L 4.1389 8.0035 125.8975 55.0961 42.8521 178.7121 124 G 3.7198 6.8888 107.6518 45.2693 0.0000 170.3829 125 E 4.9877 8.1528 119.7787 54.9497 31.8610 175.0332 126 Y 4.7692 8.7511 120.7885 56.0585 42.5393 174.7189 127 V 4.8769 8.5581 120.9435 61.4272 34.1483 174.4306 128 L 4.9682 9.1262 127.7566 52.8800 45.3876 175.7943 129 T 4.6487 9.6234 109.8730 62.3480 68.7397 172.4882 130 Y 5.3579 9.1680 119.7485 57.7014 41.6468 171.7020 131 K 3.6490 6.9977 123.3139 53.1976 32.4244 178.8342 132 P 4.4936 0.0000 0.0000 63.9769 29.7499 177.9824 133 H 4.2007 7.5421 123.1297 57.8526 28.9499 173.4598 134 P 4.3528 0.0000 0.0000 61.3338 32.0858 176.6590 135 E 4.4546 8.5132 123.5936 55.4891 30.7876 176.5297 136 V 4.3385 7.7594 118.6829 59.8141 33.0831 173.0252 137 P 5.3380 0.0000 0.0000 61.7835 31.9792 175.7534 138 I 4.6127 8.4356 124.1722 59.2353 41.5014 174.1061 139 Q 5.4709 8.4743 128.0849 54.6095 31.6551 174.4962 140 L 4.7971 8.1646 125.0274 55.2248 45.4982 174.7417 141 K 4.7344 8.9726 131.0992 53.0947 32.2664 172.2116 142 V 4.2917 8.5777 127.9703 62.3665 32.6297 175.0963 143 S 5.0980 9.9010 124.4468 56.7833 65.7417 171.3842 144 V 4.4952 7.5321 112.3032 61.1569 34.0141 171.0501 145 V 3.0082 8.5055 128.7773 63.2832 32.2161 173.1760 *146 A 4.1219 8.5636 128.2600 52.5041 18.7144 175.8161 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 1 M 8.16 4.41 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 2 K 8.70 4.41 0.00 1.80 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.48 7.81 3 V 9.39 4.78 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 0.77 0.00 0.00 1.00 0.00 0.00 4 I 7.92 5.01 1.86 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 1.33 1.10 0.99 0.00 0.00 5 L 8.43 4.94 0.00 1.68 1.60 0.96 0.20 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 6 L 8.31 4.54 0.00 1.57 1.20 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.33 3.88 0.00 1.91 1.89 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 2.33 2.44 0.00 8 P 0.00 4.71 0.00 2.23 2.08 0.00 3.83 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 1.98 1.99 0.00 9 L 7.55 4.18 0.00 1.93 1.68 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.61 4.24 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 11 N 9.32 4.27 0.00 2.83 2.84 0.00 0.00 6.94 7.78 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 12 L 6.06 4.06 0.00 1.86 1.91 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.11 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.79 4.29 0.00 2.85 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 15 V 8.14 3.64 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 0.85 0.00 0.00 0.93 0.00 0.00 16 G 8.13 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 17 Q 7.46 4.19 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 18 V 8.06 5.55 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 0.87 0.00 0.00 0.93 0.00 0.00 19 V 7.57 4.14 2.09 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 0.76 0.00 0.00 0.96 0.00 0.00 20 D 8.37 5.41 0.00 2.69 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 21 V 8.20 4.26 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 0.74 0.00 0.00 0.95 0.00 0.00 22 K 8.86 4.41 0.00 1.90 1.78 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 23 P 0.00 4.30 0.00 2.18 2.14 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 G 8.31 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 25 Y 8.70 4.50 0.00 2.92 3.08 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 0.00 26 A 8.19 3.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.92 3.89 0.00 1.82 2.06 0.00 3.18 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 28 N 7.93 4.93 0.00 2.97 2.92 0.00 0.00 6.71 7.34 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 29 Y 7.86 4.51 0.00 3.21 3.32 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 30 L 7.95 3.76 0.00 1.57 1.44 -0.15 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.10 4.08 0.00 1.83 1.71 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.14 0.00 2.08 2.12 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 33 R 7.89 4.09 0.00 1.49 1.69 0.00 2.21 0.00 0.00 2.87 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.00 34 G 8.64 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 35 L 7.55 4.55 0.00 1.67 1.64 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.69 4.68 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 37 V 7.95 4.64 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 0.82 0.00 0.00 0.91 0.00 0.00 38 L 8.18 4.73 0.00 1.61 1.56 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.39 4.46 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.05 3.45 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 1.20 0.00 0.00 41 E 8.88 3.96 0.00 1.92 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 2.32 1.87 0.00 42 S 7.91 3.79 0.00 3.83 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 43 N 7.46 4.32 0.00 2.92 3.06 0.00 0.00 6.82 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 44 L 7.64 3.92 0.00 2.03 1.91 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.51 4.13 0.00 1.79 1.80 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.32 7.81 46 A 7.77 4.21 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 47 L 8.81 4.06 0.00 1.67 1.92 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.22 4.01 0.00 1.89 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 2.24 2.20 0.00 49 A 8.45 4.21 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 50 R 7.89 4.16 0.00 1.92 1.86 0.00 3.26 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 51 I 7.43 4.23 2.13 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 1.38 1.13 0.94 0.00 0.00 52 R 8.11 3.85 0.00 1.73 1.94 0.00 3.27 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 53 A 8.47 4.18 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 54 Q 7.92 4.58 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 55 A 7.81 4.70 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 56 K 9.08 4.03 0.00 1.61 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.34 7.81 57 R 7.86 4.30 0.00 1.90 2.00 0.00 3.25 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 58 L 7.33 3.83 0.00 1.90 1.75 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.45 4.27 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 60 E 8.05 4.20 0.00 2.08 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 2.27 2.35 0.00 61 R 7.61 4.04 0.00 1.70 1.94 0.00 3.34 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 62 K 8.11 4.17 0.00 1.75 1.86 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.09 7.81 63 A 7.33 4.74 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 64 E 8.20 4.61 0.00 2.00 1.89 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 2.50 2.33 0.00 65 A 8.18 4.74 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 4.66 0.00 2.03 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 2.38 2.24 0.00 67 R 7.95 4.72 0.00 1.82 1.79 0.00 3.24 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 68 L 7.82 4.69 0.00 1.64 1.61 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.32 3.95 0.00 1.81 1.71 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.01 7.81 70 E 7.66 4.61 0.00 1.93 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 2.25 2.11 0.00 71 I 7.56 4.68 1.89 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 1.31 0.86 0.93 0.00 0.00 72 L 8.32 4.89 0.00 1.62 1.65 0.93 0.92 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 73 E 8.00 4.63 0.00 2.02 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 2.19 2.48 0.00 74 N 8.21 4.54 0.00 2.86 2.94 0.00 0.00 5.97 7.79 0.00 0.00 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 L 7.71 4.22 0.00 1.82 1.64 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.25 4.31 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 1.23 0.00 0.00 77 L 7.97 3.53 0.00 1.78 1.59 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.36 5.00 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 1.34 0.00 0.00 79 I 9.28 4.34 1.87 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 1.27 1.15 0.93 0.00 0.00 80 P 0.00 4.80 0.00 2.08 2.10 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 81 V 7.84 3.95 2.22 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 0.74 0.00 0.00 1.07 0.00 0.00 82 R 8.44 4.41 0.00 1.90 1.80 0.00 3.24 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 83 A 8.73 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 10.57 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 0.00 0.00 0.00 85 E 8.49 3.81 0.00 2.14 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 2.19 2.23 0.00 86 T 7.91 4.99 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 1.22 0.00 0.00 87 K 8.36 3.86 0.00 1.79 1.68 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.09 7.81 88 I 7.91 4.26 1.93 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 1.50 1.33 0.97 0.00 0.00 89 Y 6.89 3.81 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 90 G 8.00 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 91 S 8.17 4.69 0.00 3.95 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 92 V 7.60 4.17 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 0.62 0.00 0.00 0.86 0.00 0.00 93 T 8.87 4.39 4.21 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 1.18 0.00 0.00 94 A 8.26 3.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.95 3.79 0.00 1.77 1.87 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.14 7.81 96 D 7.54 4.53 0.00 2.86 2.72 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 97 I 7.96 3.96 1.97 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 1.37 0.59 0.80 0.00 0.00 98 A 7.61 4.32 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 99 E 8.50 3.85 0.00 2.03 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 2.32 2.41 0.00 100 A 7.31 4.68 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 0.00 101 L 6.97 5.51 0.00 1.71 1.91 0.72 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.55 5.11 0.00 3.92 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 0.00 103 R 7.68 4.50 0.00 1.87 1.88 0.00 3.34 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 104 Q 8.24 4.27 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 105 H 7.84 4.70 0.00 3.33 3.26 0.00 5.75 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 0.00 106 G 8.64 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 0.00 107 V 7.24 4.14 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 0.99 0.00 0.00 0.98 0.00 0.00 108 T 8.09 4.95 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 1.23 0.00 0.00 109 I 7.99 4.72 1.76 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 1.17 0.40 0.50 0.00 0.00 110 D 8.80 4.81 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 0.00 111 P 0.00 4.45 0.00 2.19 2.12 0.00 3.78 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 2.00 1.98 0.00 112 K 9.98 4.40 0.00 1.74 1.64 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.23 7.81 113 R 7.79 4.51 0.00 1.73 1.88 0.00 3.20 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.21 0.00 114 L 7.73 4.47 0.00 1.58 1.59 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.00 3.64 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 0.00 116 L 7.36 4.68 0.00 1.50 1.51 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.75 4.50 0.00 2.12 1.59 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 2.29 2.32 0.00 118 K 8.50 4.06 0.00 1.80 1.65 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.06 7.81 119 P 0.00 4.30 0.00 2.13 2.07 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 120 I 7.29 2.39 1.65 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.15 0.65 0.00 0.00 121 K 9.09 3.79 0.00 1.97 1.92 0.00 1.79 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.44 7.81 122 E 8.00 4.58 0.00 2.00 1.83 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 2.17 2.18 0.00 123 L 8.00 4.14 0.00 1.91 1.66 0.98 0.96 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 0.00 124 G 6.89 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 0.00 125 E 8.15 4.99 0.00 1.79 1.83 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 2.26 2.22 0.00 126 Y 8.75 4.77 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.56 4.88 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 0.85 0.00 0.00 0.98 0.00 0.00 128 L 9.13 4.97 0.00 1.59 1.55 0.87 0.33 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 0.00 129 T 9.62 4.65 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 1.24 0.00 0.00 130 Y 9.17 5.36 0.00 3.07 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 0.00 131 K 7.00 3.65 0.00 2.00 1.74 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.23 1.01 7.81 132 P 0.00 4.49 0.00 1.29 1.10 0.00 3.39 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 133 H 7.54 4.20 0.00 3.23 3.27 0.00 5.72 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 0.00 134 P 0.00 4.35 0.00 2.08 2.05 0.00 3.82 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 2.06 2.13 0.00 135 E 8.51 4.45 0.00 1.95 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 2.24 2.44 0.00 136 V 7.76 4.34 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 0.84 0.00 0.00 1.00 0.00 0.00 137 P 0.00 5.34 0.00 1.98 2.06 0.00 3.95 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 138 I 8.44 4.61 1.89 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 1.22 1.75 1.00 0.00 0.00 139 Q 8.47 5.47 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 140 L 8.16 4.80 0.00 1.78 1.49 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.97 4.73 0.00 1.49 1.72 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.72 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 1.09 7.81 142 V 8.58 4.29 2.37 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 0.86 0.00 0.00 1.04 0.00 0.00 143 S 9.90 5.10 0.00 3.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.53 4.50 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 0.79 0.00 0.00 0.95 0.00 0.00 145 V 8.51 3.01 2.09 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 0.74 0.00 0.00 0.94 0.00 0.00 *146 A 8.56 4.12 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 * Residues marked with a * may have inaccurate shift predictions.