NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2137 8.1727 122.0609 56.3130 34.0406 174.0735 2 V 4.4997 8.3821 127.9901 61.3797 31.7207 174.7662 3 F 4.4081 9.4417 127.9843 57.2500 40.1056 175.6574 4 G 3.8286 9.2027 109.3164 45.9813 0.0000 174.8910 5 R 3.2235 8.7053 120.7190 59.3431 30.0767 178.7415 6 C 4.1179 7.9547 115.9430 62.6931 28.2493 175.4653 7 E 3.9531 8.1079 120.3956 59.3231 29.3237 178.5476 8 L 3.4880 8.2782 120.4734 57.6855 42.0849 178.3313 9 A 3.9201 8.1370 121.0909 55.4497 18.2572 179.5442 10 A 3.9231 8.3134 118.9866 55.1760 18.3792 179.7276 11 A 3.9509 7.9101 119.1970 55.6799 18.4787 179.8671 12 M 3.8674 8.0211 117.2146 57.9455 31.8534 178.6929 13 K 3.7770 8.0075 119.9656 59.7438 32.1517 178.5808 14 R 3.8317 7.6669 117.2932 59.7200 30.0252 177.2718 15 H 4.4646 7.6709 112.4549 55.5740 27.4735 176.0170 16 G 3.8559 8.0881 109.9422 45.8439 0.0000 175.8878 17 L 3.4628 7.7077 121.5330 56.4211 41.6660 176.9859 18 D 4.6534 7.3629 117.6765 55.8697 41.4557 175.8081 19 N 4.3410 8.5728 124.8857 54.2871 37.1061 174.1444 20 Y 4.1706 8.0971 119.7512 58.5394 39.2813 175.2306 21 R 3.4452 9.1255 125.4994 57.1285 27.8845 176.5694 22 G 3.7140 8.2601 102.3385 46.5049 0.0000 173.5991 23 Y 4.5424 7.9238 118.6651 55.5157 38.7067 175.9638 24 S 4.7099 8.7046 120.0472 58.1230 63.9101 174.8559 25 L 4.2169 9.2382 124.2290 58.9397 41.6187 179.8968 26 G 3.9400 8.4290 104.6043 47.9511 0.0000 175.1093 27 N 4.5180 8.3614 118.6972 56.2548 38.5464 177.4918 28 W 3.7074 7.9572 119.8110 59.2203 29.2045 178.7625 29 V 3.4823 7.6689 118.2614 66.1990 30.8022 177.1347 30 C 2.6021 7.9946 118.1718 59.0619 43.7077 175.4970 31 A 3.9503 7.9767 122.0400 55.2004 17.9599 179.3690 32 A 4.2057 7.5608 120.5691 54.4671 18.3242 179.6136 33 K 2.7205 7.5957 118.0235 59.4233 31.8528 178.8244 34 F 4.5170 7.1347 115.8856 59.7386 39.0983 177.7604 35 E 4.2747 8.1526 118.2013 58.7613 29.7341 177.8939 36 S 4.5221 7.7780 110.0022 56.3031 64.5309 173.7780 37 N 3.8029 8.4647 118.2325 54.6195 37.6806 174.0518 38 F 4.0426 7.6976 110.9534 57.7734 37.0796 174.2947 39 N 5.2509 7.8037 120.7496 52.3407 38.2918 175.5028 40 T 4.0406 8.9055 118.3248 64.4469 69.6470 175.4941 41 Q 4.7179 8.5877 118.7477 55.4404 29.6838 176.0030 42 A 4.2243 8.1296 123.7804 52.6211 19.2201 177.1042 43 T 4.9321 8.5135 112.4092 59.7924 72.1609 173.0034 44 N 4.9021 8.7588 122.0123 51.8905 42.1783 173.2180 45 R 4.4831 8.6810 125.6146 55.9985 31.2721 175.9554 46 N 5.0268 9.1118 122.0086 51.7277 40.9295 176.4178 47 T 4.0023 8.5015 110.3691 64.1875 69.2319 175.1379 48 D 4.4659 8.0251 119.8192 53.5252 39.6770 177.0883 49 G 3.8620 8.0962 108.7640 45.2671 0.0000 173.7463 50 S 4.6591 8.0334 115.2375 58.0328 65.8884 172.9867 51 T 5.0093 8.4590 114.6652 62.3756 73.1147 173.1245 52 D 5.2652 9.0841 126.1594 53.6897 42.8957 174.9848 53 Y 4.8497 9.3529 121.1707 57.5016 41.3278 177.2285 54 G 4.6632 8.9457 111.9875 46.4393 0.0000 173.6207 55 I 3.7796 8.3886 117.6527 63.7153 37.1794 177.4538 56 L 4.6638 7.8305 116.9147 53.4940 42.7971 176.3324 57 Q 3.4649 7.8922 116.4914 57.1371 26.7109 174.1320 58 I 4.2355 7.9698 118.7713 61.1639 39.2381 176.4664 59 N 5.6141 9.1369 125.2422 52.2377 40.8087 175.2126 60 S 4.7354 8.8085 119.2457 59.1576 63.5577 175.1972 61 R 3.6299 8.1530 122.6150 58.9089 30.0737 178.1891 62 W 4.3245 7.9518 116.6098 56.2477 31.7076 177.0043 63 W 4.8552 8.0080 117.1773 57.5994 30.7763 173.7251 64 C 5.6475 8.0946 112.0311 53.8245 43.6811 172.3631 65 N 5.1651 8.8020 118.5705 52.0877 39.9042 174.6213 66 D 4.6115 8.9145 124.6500 52.2375 40.4720 176.5127 67 G 4.0050 8.3088 107.3113 46.5441 0.0000 174.6839 68 R 4.5791 8.4133 111.6155 56.0131 30.6016 175.5094 69 T 4.3775 7.6660 117.0100 60.9268 68.4803 171.3239 70 P 4.0969 0.0000 0.0000 63.9271 31.9299 177.1766 71 G 3.7862 8.7209 109.1709 45.7835 0.0000 173.4569 72 S 4.4166 7.3308 114.2663 57.4167 64.8299 173.3194 73 R 4.4888 8.4916 119.7535 54.5130 32.8166 176.8055 74 N 4.9244 7.9780 116.8103 52.5492 38.1543 174.6468 75 L 4.1658 9.0858 121.8806 57.0474 42.4229 177.8764 76 C 4.5710 8.6066 114.2960 56.7330 41.0422 172.8954 77 N 4.1266 8.0235 116.8483 53.6108 36.2552 174.0303 78 I 4.6155 8.3415 117.1436 58.6001 41.7692 172.0954 79 P 4.8452 0.0000 0.0000 62.5093 32.2949 178.0468 80 C 3.9716 8.8662 119.2399 60.0667 37.7375 176.7414 81 S 3.9324 7.8309 115.0056 60.9015 62.3216 176.0006 82 A 4.0721 7.6900 123.9588 54.6991 17.9035 178.5955 83 L 4.3604 7.8905 115.9638 55.5630 41.7661 177.7996 84 L 4.9927 7.4313 118.0242 54.3522 42.5191 176.8077 85 S 4.3681 7.4612 113.1022 57.9840 62.7910 174.3442 86 S 4.3127 8.5214 119.1970 60.1181 63.2986 173.6346 87 D 4.6667 7.9716 121.6307 53.3203 40.7705 176.7306 88 I 3.8496 8.3604 127.9961 63.0539 36.9988 177.8850 89 T 3.6984 8.1756 117.8018 66.8201 68.3792 175.9269 90 A 3.9680 7.8815 121.6526 55.2495 18.4200 179.7065 91 S 4.0692 7.9223 113.2093 61.6261 62.9998 176.9076 92 V 3.3142 7.8552 121.1562 65.9933 31.1180 177.7878 93 N 4.1899 8.2967 116.5641 56.5067 38.3646 176.6508 94 C 4.2459 8.2942 119.6193 59.3632 38.9179 175.2727 95 A 4.1187 8.3023 122.8976 55.2425 18.0381 179.6082 96 K 3.6875 7.8615 116.8382 59.5967 31.9853 179.4836 97 K 4.0532 7.7908 119.8608 59.4557 32.0409 179.0257 98 I 2.9637 7.4306 120.3268 63.7491 36.3152 178.6493 99 V 3.6596 7.9701 121.5505 66.7591 31.2547 178.5560 *100 S 4.1785 7.8890 116.8131 63.8735 62.1865 177.7307 101 D 4.8737 8.3679 121.9559 55.0234 40.9776 178.0488 102 G 3.7576 8.8108 109.7630 45.8203 0.0000 175.2103 *104 G 3.9077 8.7086 114.6378 44.3984 0.0000 173.4461 105 M 3.9624 6.7273 119.1018 55.1258 32.7661 178.2633 106 N 4.5375 8.2848 116.4825 56.3519 38.9270 175.7665 107 A 3.7932 7.2149 119.9884 54.8548 18.5359 177.9577 108 W 4.5205 8.0769 116.7975 55.7218 29.1207 177.4034 109 V 3.6537 8.3896 124.3949 65.8733 31.0754 177.4187 110 A 3.9072 8.1375 120.0711 54.8847 18.2644 179.0536 111 W 4.1040 8.4179 126.3559 60.7517 30.5394 177.9806 112 R 3.2593 8.0505 117.3210 59.3463 29.6469 177.9368 113 N 4.4373 7.8923 114.6261 55.0224 38.6669 176.1225 114 R 4.4147 7.3839 116.5048 55.7565 33.0006 175.2470 115 C 4.7309 7.5762 112.9823 58.0650 42.1722 173.9652 116 K 3.4238 6.6154 119.5040 58.0935 31.6281 176.5112 117 G 3.9048 8.9778 115.0303 45.4081 0.0000 173.1722 118 T 4.3364 7.1378 109.3541 60.4880 70.9813 175.9697 119 D 4.7309 8.2415 119.6629 53.9868 37.7229 176.6498 120 V 4.2085 7.8348 116.2768 63.4769 32.3162 177.6523 121 Q 4.1573 8.3301 117.3518 59.1033 28.1689 178.1198 122 A 4.0154 8.1826 122.6674 54.7463 18.0376 179.3646 123 W 4.1867 8.2245 116.4662 58.4461 29.2022 177.0068 124 I 4.5042 7.4246 110.1735 60.0451 37.5710 176.0097 125 R 3.9513 7.5301 117.7681 57.6258 29.6130 176.3740 126 G 3.9452 8.6052 106.9471 46.8854 0.0000 173.4427 127 C 4.2786 8.1329 122.2280 59.5932 28.3273 173.7021 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 K 8.17 4.21 0.00 1.78 1.76 0.00 1.32 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.18 7.81 2 V 8.38 4.50 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 0.94 0.00 0.00 0.98 0.00 0.00 3 F 9.44 4.41 0.00 2.91 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 4 G 9.20 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 5 R 8.71 3.22 0.00 2.07 1.99 0.00 3.66 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 6 C 7.95 4.12 0.00 3.00 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 7 E 8.11 3.95 0.00 2.06 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 0.00 2.65 2.41 0.00 8 L 8.28 3.49 0.00 1.25 1.09 0.20 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.14 3.92 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 10 A 8.31 3.92 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 11 A 7.91 3.95 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 12 M 8.02 3.87 0.00 1.89 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 13 K 8.01 3.78 0.00 2.00 2.04 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 R 7.67 3.83 0.00 1.97 2.02 0.00 3.24 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 15 H 7.67 4.46 0.00 3.11 3.14 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.09 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 17 L 7.71 3.46 0.00 1.39 0.63 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.36 4.65 0.00 2.63 2.62 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 0.00 19 N 8.57 4.34 0.00 2.84 2.92 0.00 0.00 7.02 8.79 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 20 Y 8.10 4.17 0.00 3.19 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 21 R 9.13 3.45 0.00 2.12 1.96 0.00 3.46 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.12 0.00 22 G 8.26 3.71 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 0.00 0.00 0.00 23 Y 7.92 4.54 0.00 3.59 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 24 S 8.70 4.71 0.00 4.13 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 25 L 9.24 4.22 0.00 2.04 1.84 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.43 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.36 4.52 0.00 2.74 2.50 0.00 0.00 6.91 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 28 W 7.96 3.71 0.00 3.34 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 29 V 7.67 3.48 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 1.13 0.00 0.00 1.03 0.00 0.00 30 C 7.99 2.60 0.00 2.23 3.04 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 0.00 0.00 0.00 0.00 31 A 7.98 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.56 4.21 1.43 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 0.00 0.00 0.00 33 K 7.60 2.72 0.00 1.22 0.89 0.00 0.61 0.00 0.00 1.54 0.00 0.00 3.05 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.48 0.49 7.81 34 F 7.13 4.52 0.00 3.07 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 E 8.15 4.27 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 36 S 7.78 4.52 0.00 4.15 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 0.00 37 N 8.46 3.80 0.00 2.72 2.80 0.00 0.00 7.24 7.17 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 38 F 7.70 4.04 0.00 3.49 3.13 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 0.00 0.00 0.00 39 N 7.80 5.25 0.00 2.78 2.82 0.00 0.00 6.97 7.69 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 40 T 8.91 4.04 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 41 Q 8.59 4.72 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 42 A 8.13 4.22 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 43 T 8.51 4.93 4.02 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 1.20 0.00 0.00 44 N 8.76 4.90 0.00 2.73 2.61 0.00 0.00 7.18 8.34 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 45 R 8.68 4.48 0.00 1.71 1.83 0.00 3.39 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 46 N 9.11 5.03 0.00 2.83 2.71 0.00 0.00 6.37 6.73 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 47 T 8.50 4.00 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 1.21 0.00 0.00 48 D 8.03 4.47 0.00 2.75 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 49 G 8.10 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 50 S 8.03 4.66 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.46 5.01 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 0.65 0.00 0.00 52 D 9.08 5.27 0.00 2.51 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 53 Y 9.35 4.85 0.00 2.91 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 54 G 8.95 4.66 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 0.00 0.00 0.00 55 I 8.39 3.78 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.83 0.00 0.00 56 L 7.83 4.66 0.00 1.69 1.86 0.74 0.24 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 57 Q 7.89 3.46 0.00 2.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 58 I 7.97 4.24 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 1.10 0.00 0.00 59 N 9.14 5.61 0.00 3.19 2.91 0.00 0.00 6.98 7.20 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 60 S 8.81 4.74 0.00 4.01 4.22 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 61 R 8.15 3.63 0.00 1.58 1.77 0.00 2.54 0.00 0.00 2.97 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 62 W 7.95 4.32 0.00 1.78 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 0.00 0.00 0.00 0.00 63 W 8.01 4.86 0.00 3.55 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 64 C 8.09 5.65 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 65 N 8.80 5.17 0.00 2.85 2.68 0.00 0.00 7.20 8.47 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 66 D 8.91 4.61 0.00 2.81 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 67 G 8.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.58 0.00 1.90 1.95 0.00 3.06 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 69 T 7.67 4.38 4.18 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 1.18 0.00 0.00 70 P 0.00 4.10 0.00 1.98 1.96 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 71 G 8.72 3.79 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 0.00 0.00 0.00 72 S 7.33 4.42 0.00 3.89 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 73 R 8.49 4.49 0.00 1.79 1.86 0.00 3.29 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 74 N 7.98 4.92 0.00 2.77 2.62 0.00 0.00 6.89 6.66 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 75 L 9.09 4.17 0.00 1.70 1.85 0.48 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.61 4.57 0.00 3.35 3.23 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 77 N 8.02 4.13 0.00 2.86 2.86 0.00 0.00 6.63 6.73 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 78 I 8.34 4.62 1.90 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 1.36 1.18 0.95 0.00 0.00 79 P 0.00 4.85 0.00 2.28 2.11 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 80 C 8.87 3.97 0.00 2.19 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 81 S 7.83 3.93 0.00 4.03 4.07 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 82 A 7.69 4.07 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 83 L 7.89 4.36 0.00 1.95 1.80 1.04 0.33 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 84 L 7.43 4.99 0.00 1.80 1.76 1.09 1.23 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 85 S 7.46 4.37 0.00 3.89 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 86 S 8.52 4.31 0.00 4.00 3.98 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 87 D 7.97 4.67 0.00 2.71 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 88 I 8.36 3.85 1.71 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.27 0.60 0.00 0.00 89 T 8.18 3.70 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 90 A 7.88 3.97 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 91 S 7.92 4.07 0.00 3.96 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 92 V 7.86 3.31 1.79 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 0.68 0.00 0.00 0.66 0.00 0.00 93 N 8.30 4.19 0.00 2.75 2.81 0.00 0.00 6.72 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 94 C 8.29 4.25 0.00 3.13 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 95 A 8.30 4.12 1.46 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 0.00 0.00 0.00 96 K 7.86 3.69 0.00 1.76 1.56 0.00 1.25 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.92 7.81 97 K 7.79 4.05 0.00 1.85 1.92 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.68 1.67 7.81 98 I 7.43 2.96 1.41 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.15 0.00 0.00 99 V 7.97 3.66 2.54 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 1.25 0.00 0.00 1.22 0.00 0.00 *100 S 7.89 4.18 0.00 3.79 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 0.00 101 D 8.37 4.87 0.00 2.95 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 0.00 102 G 8.81 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 0.00 0.00 0.00 *104 G 8.71 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 0.00 105 M 6.73 3.96 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.98 0.00 106 N 8.28 4.54 0.00 2.77 2.97 0.00 0.00 6.92 7.35 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 0.00 107 A 7.21 3.79 0.66 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 0.00 0.00 108 W 8.08 4.52 0.00 3.57 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 0.00 109 V 8.39 3.65 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 1.07 0.00 0.00 0.97 0.00 0.00 110 A 8.14 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.42 4.10 0.00 3.35 3.46 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 0.00 112 R 8.05 3.26 0.00 2.21 2.09 0.00 3.42 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 113 N 7.89 4.44 0.00 2.64 2.74 0.00 0.00 6.86 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 0.00 114 R 7.38 4.41 0.00 1.29 1.47 0.00 2.78 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.05 0.00 115 C 7.58 4.73 0.00 2.31 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 0.00 116 K 6.62 3.42 0.00 0.79 1.15 0.00 1.45 0.00 0.00 1.36 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.15 7.81 117 G 8.98 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 0.00 118 T 7.14 4.34 4.30 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 1.25 0.00 0.00 119 D 8.24 4.73 0.00 2.84 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 0.00 120 V 7.83 4.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.14 0.00 0.00 121 Q 8.33 4.16 0.00 2.34 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 122 A 8.18 4.02 1.27 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 0.00 0.00 0.00 123 W 8.22 4.19 0.00 3.57 3.39 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 0.00 124 I 7.42 4.50 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 1.02 0.00 0.00 125 R 7.53 3.95 0.00 2.04 1.98 0.00 3.18 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 126 G 8.61 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 0.00 127 C 8.13 4.28 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.