NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8432 8.2676 117.8014 51.3223 39.3396 174.8274 3 P 4.0621 0.0000 0.0000 64.2775 30.6716 177.2954 4 F 4.2346 9.0812 121.3831 61.8986 39.5259 177.9584 5 H 4.0220 8.0380 113.6737 58.2053 28.7812 176.7422 6 D 4.5409 8.2388 119.5875 54.5138 41.3463 176.6232 7 L 4.5079 6.7930 121.0883 53.5594 43.2301 176.9708 *8 E 4.3253 8.3859 116.9261 54.8181 30.6942 176.8367 9 P 4.2594 0.0000 0.0000 65.0878 31.5748 176.6423 10 G 3.6415 6.8457 104.2007 44.3293 0.0000 171.5640 11 P 4.3064 0.0000 0.0000 64.5952 32.5584 176.6435 12 D 4.6388 7.4663 118.2611 53.1061 42.1111 175.2758 13 V 3.9668 7.4591 113.5749 61.2936 32.5959 175.0235 14 P 4.7383 0.0000 0.0000 62.7885 31.6229 176.5717 15 E 4.0476 8.2175 120.4392 59.1036 29.7244 176.6034 16 V 4.7362 7.9091 119.1445 61.1564 34.3274 175.1367 17 V 4.4999 8.4980 120.6774 59.7199 34.9664 174.3080 18 Y 5.1888 8.5743 119.7868 57.3592 39.7438 174.6538 19 A 4.9094 9.0943 125.3231 50.2426 22.1185 175.3094 20 I 4.6188 8.9521 124.5290 59.9610 38.6324 175.2861 21 I 4.2354 8.6141 129.6252 61.3891 37.8955 176.5707 22 E 4.2693 9.6387 126.3607 57.3388 32.0906 175.8472 23 I 4.8789 7.5586 120.5414 58.6346 40.4832 173.5896 24 P 4.7547 0.0000 0.0000 61.7650 32.6011 176.2254 25 K 4.1753 9.4446 125.0601 58.7362 32.3616 177.0332 26 G 3.7844 9.4911 114.6555 44.9102 0.0000 173.3049 27 S 4.6445 8.0150 116.5226 58.0097 64.0742 175.2016 28 R 4.5253 8.7186 123.6150 57.5624 31.5254 175.5501 29 N 4.5895 8.1076 116.8342 52.7594 39.4058 174.9608 30 K 4.1310 9.1242 126.9824 55.6070 32.6821 175.0175 31 Y 5.2426 8.2853 127.4877 57.7865 39.5225 175.7151 32 E 5.0582 9.3736 119.8190 54.4844 34.5153 174.8745 33 L 4.5295 9.1678 125.7419 54.6958 42.9984 175.8549 34 D 4.5682 9.4626 129.9819 54.3235 41.6606 177.7786 35 K 4.0614 9.1185 130.6686 58.3780 32.2010 175.6351 36 K 4.3367 8.3879 120.2036 57.6855 31.7585 180.1003 37 T 4.1610 8.2172 108.5523 61.6613 69.2762 175.9657 38 G 3.9308 8.5236 109.5518 45.9348 0.0000 173.0396 39 L 4.7218 7.2713 118.7650 52.5509 44.5564 175.4481 40 L 4.6619 8.3670 123.2801 54.9135 42.7954 175.8498 41 K 4.7298 9.1938 127.5294 54.3733 35.7630 174.7585 42 L 4.6014 8.5776 128.1447 54.7347 41.8269 175.9221 43 D 4.6623 9.0499 127.5420 56.6966 41.5205 176.1301 44 R 4.6096 7.6366 112.3249 55.3143 32.8665 172.9162 45 V 4.4119 8.1662 120.1129 61.3631 32.3680 175.6045 46 L 4.2455 8.4822 128.0905 55.4003 42.1771 178.1406 47 Y 3.9085 8.8930 119.8011 59.6956 38.2947 175.7825 48 S 4.5528 6.8654 114.9603 55.5846 66.4801 172.8823 49 P 4.6478 0.0000 0.0000 62.2280 29.9281 175.3527 50 F 5.3539 7.6460 120.1534 56.2404 42.6330 174.9381 51 F 5.4860 7.8111 116.3822 54.7302 40.7949 174.5279 52 Y 2.7613 9.0276 121.0769 57.7714 37.8474 175.6504 53 P 4.5659 0.0000 0.0000 63.8545 32.0700 175.9230 54 V 4.7459 7.1392 110.8613 59.5721 36.3188 174.5748 55 D 4.7350 8.8033 122.7580 54.7984 41.7908 174.8919 56 Y 5.0569 8.9975 125.7073 56.1472 41.6789 174.7489 57 G 4.2373 7.8784 112.2714 47.0961 0.0000 171.8820 58 I 5.1408 8.0255 113.5494 59.3879 41.6856 174.4520 59 I 4.8342 8.2285 124.5155 58.7630 37.7141 174.5174 60 P 4.2494 0.0000 0.0000 63.8592 31.8161 176.1703 61 R 2.0000 6.6416 118.2688 57.0395 28.0455 175.8466 62 T 5.1203 7.4309 105.4625 59.9004 73.2736 173.3773 63 W 5.8086 9.4722 132.3692 56.2728 34.2980 173.0136 64 Y 4.6066 8.7365 130.0190 57.8946 41.3156 177.7015 65 E 2.5792 7.5057 117.9957 58.7821 30.0715 177.5282 *67 D 4.3020 7.5637 117.8251 51.7390 41.4481 175.6135 68 D 3.8715 6.0500 119.1628 52.5074 46.3507 175.1242 69 P 5.3215 0.0000 0.0000 62.2785 32.4222 175.9492 70 F 4.7668 9.2359 125.3032 58.2134 40.5951 174.5163 71 D 4.8918 8.5497 125.6790 53.9216 42.6353 175.0980 72 I 4.8259 8.2858 121.5294 59.5483 41.9681 173.5141 73 M 5.1121 9.2702 128.9618 53.7190 34.4618 174.8371 74 V 4.7015 9.1086 124.6755 60.9798 34.1512 174.5764 75 I 4.1377 8.2303 129.7325 61.2149 37.1573 175.4623 76 M 4.7011 8.3835 126.5055 53.4262 35.0651 176.4754 77 R 3.9001 8.7633 122.1649 58.7179 30.6288 176.4380 78 E 4.4629 7.7466 117.5900 53.3522 30.7523 173.6619 79 P 4.5303 0.0000 0.0000 63.0314 31.9140 176.5630 80 V 4.0697 8.4325 115.7713 60.2738 33.2315 175.3469 81 Y 4.2003 8.1641 117.7748 56.4744 38.6833 173.8481 82 P 4.4057 0.0000 0.0000 64.5359 31.8108 176.5652 83 L 3.8902 9.3458 122.0434 55.2290 39.7791 174.4993 84 T 4.2993 7.6020 116.0005 63.3504 69.8117 173.6930 85 I 4.7681 8.2381 126.2003 60.1374 38.7787 174.9960 86 I 4.5373 8.3951 127.7188 59.1706 40.0457 174.7869 87 E 4.6343 9.0488 126.7496 56.5675 30.4801 175.6673 88 A 5.1145 9.3542 126.9283 49.9784 22.8036 174.5157 89 R 4.9816 9.1788 122.5572 53.2816 31.7808 173.8595 90 P 5.0118 0.0000 0.0000 62.8030 31.7126 176.2520 91 I 4.6100 9.1011 116.1494 60.3367 39.7900 174.7143 92 G 4.3229 7.7811 108.6465 45.9673 0.0000 172.1517 93 L 5.2668 9.0720 121.8208 53.4965 45.5164 174.5317 94 F 4.2065 9.5511 129.6556 56.6412 41.3235 174.5296 95 K 3.6912 7.4716 125.2472 54.3266 34.4639 174.9940 96 M 4.9726 8.0435 121.4099 53.3548 35.5545 173.9681 97 I 4.9080 9.1983 122.6030 60.2699 40.9081 174.8955 98 D 4.9899 9.2102 128.6073 51.9628 42.0484 173.4017 99 S 3.8695 9.3201 123.1885 58.6983 60.6042 173.6577 100 G 4.0870 8.0676 107.4780 45.6020 0.0000 172.6027 101 D 4.7456 7.5102 119.6995 52.2732 42.1271 176.2543 102 K 4.4417 8.3539 123.6075 57.0829 33.0905 177.0224 103 D 4.9780 8.7713 122.0658 53.5012 40.0958 174.5412 104 Y 4.6567 8.0301 117.9041 58.1081 39.5923 177.2868 105 K 4.5091 8.7693 120.6600 54.5286 36.5971 176.0612 106 V 4.1408 7.9470 124.8600 62.6465 33.0697 174.2168 107 L 5.3214 8.8954 128.9384 53.5153 44.2551 174.9997 108 A 5.2742 9.2508 126.8930 50.5750 23.4303 174.7644 109 V 4.5127 8.4301 111.7686 58.3028 35.8853 173.9012 110 P 4.6279 0.0000 0.0000 62.9170 31.5937 177.5109 111 V 3.6919 8.7143 124.6117 65.6076 31.6092 176.3959 112 E 4.4760 8.0797 116.5313 55.8926 29.7033 174.9936 113 D 4.8365 7.5961 119.3948 51.6670 41.5847 175.0236 114 P 4.4251 0.0000 0.0000 64.6877 31.6026 177.8313 115 Y 3.6636 8.1084 120.4160 60.0904 38.7518 176.6324 116 F 3.9667 8.2714 118.8932 57.2678 39.2764 178.0791 117 K 3.9214 7.8156 127.3651 57.9962 31.4189 182.2720 118 D 4.9535 8.1800 114.7040 52.7040 40.0861 178.9023 119 W 4.7880 8.5801 121.4968 56.3321 29.1440 176.1935 120 K 4.6519 9.7728 121.9547 55.7299 33.9572 175.5805 121 D 5.0428 7.9058 116.2102 52.2757 44.4471 175.2241 122 I 3.5929 8.3750 120.9832 63.6987 37.8996 176.9084 123 D 4.4203 7.8462 117.7315 54.9398 39.5907 176.6080 124 D 4.0987 7.7279 119.0855 55.1106 41.1543 176.2450 125 V 3.2743 6.6124 119.7106 59.8414 32.9058 173.6868 126 P 4.1343 0.0000 0.0000 62.8999 31.8173 176.9196 127 K 3.7464 8.9048 123.9022 59.7538 31.9767 178.4847 128 A 4.0294 7.9584 120.1266 54.5495 18.3243 179.3167 129 F 4.1854 8.2391 119.7954 61.4130 39.5394 177.3429 130 L 3.5614 7.7822 118.1272 57.8458 41.2709 179.0357 131 D 4.4905 8.2643 119.0692 57.3883 40.7294 178.7790 132 E 3.8817 8.0473 118.1482 59.1446 29.7105 179.3341 133 I 3.2793 7.5286 120.4745 64.0121 37.1562 178.0560 134 A 3.8321 7.9871 121.5196 55.6151 18.3139 179.2048 135 H 4.1096 8.5279 116.8760 59.0812 29.8643 177.1456 136 F 3.6056 7.8843 122.5516 61.3354 38.9510 177.2371 137 F 3.6207 7.3910 115.7364 60.1399 38.7235 177.3313 138 K 4.1687 8.2824 118.8211 58.6934 32.3534 178.0471 139 R 4.5807 7.7653 116.2497 56.1830 31.3095 177.4019 140 Y 4.3285 8.1660 116.3872 58.7425 38.4019 176.7743 141 K 4.1325 7.6414 119.1475 55.8736 32.9263 177.4595 142 E 3.9076 8.0664 123.6941 59.1363 29.5789 178.5995 143 L 4.1749 7.6395 116.1530 56.2223 41.9798 177.1470 144 Q 3.8257 7.4571 116.5380 55.1479 28.8099 176.3288 145 G 3.8393 7.6978 106.1019 45.5620 0.0000 174.1013 146 K 4.3261 7.5800 120.4246 56.2632 33.5644 176.8976 147 E 4.6856 8.7935 122.8455 55.5372 32.6377 175.9480 148 I 5.0216 8.6024 127.4228 58.4305 38.2546 171.9422 149 I 4.4254 8.7813 127.8260 57.9371 37.8145 171.5258 150 V 4.2423 8.2452 127.0087 60.5546 31.9278 175.2451 151 E 3.9151 8.7680 129.5473 58.8928 30.0146 176.0827 152 G 3.8427 7.2016 104.5835 43.9144 0.0000 172.2438 153 W 5.2090 8.7440 120.4310 55.0070 32.1959 174.2268 154 E 4.8299 9.3106 120.1925 53.9216 33.0417 175.6288 155 G 4.4154 8.2786 105.9190 44.0546 0.0000 174.0188 156 A 4.1077 9.2739 121.5281 55.2168 18.2436 179.8055 157 E 3.9342 8.2787 116.4425 59.5366 29.5974 179.3217 158 A 4.0314 8.0658 119.9998 55.0017 18.5698 179.0700 159 A 4.0981 7.8880 118.9691 55.6657 18.5470 180.1239 160 K 4.0486 8.3441 116.7819 59.4520 32.0340 179.6250 161 R 3.9728 8.0931 118.4697 59.7213 30.0469 178.9745 162 E 4.0518 8.4398 117.9015 59.3056 29.3396 179.6790 163 I 4.0559 8.1516 120.0136 64.6062 37.1599 178.3704 164 L 4.0366 7.9434 119.6457 57.7336 41.3684 179.6933 165 R 3.8713 8.3354 118.4946 59.5313 30.0588 178.5723 166 A 4.7180 8.1687 121.9432 54.6893 18.1676 179.6997 167 I 4.0949 8.4576 120.4329 63.9332 37.1224 178.4138 168 E 4.1033 8.2094 118.4978 59.6731 29.6317 178.9354 169 M 4.1434 8.4163 119.7244 58.3754 31.8817 178.1503 170 Y 4.3091 8.2753 119.3166 60.7116 38.8863 177.8816 171 K 4.0783 7.9885 121.1784 59.9782 32.1874 179.5845 172 E 4.1686 8.3314 120.3584 61.7891 29.8042 182.1046 173 K 3.9092 7.8053 126.2151 59.4422 31.7470 179.4034 *174 F 4.3675 7.8401 121.2213 56.9352 38.9504 177.8632 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 N 8.27 4.84 0.00 2.67 2.78 0.00 0.00 6.49 6.88 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 3 P 0.00 4.06 0.00 2.35 2.35 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 4 F 9.08 4.23 0.00 3.08 3.05 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 0.00 5 H 8.04 4.02 0.00 3.19 3.30 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.24 4.54 0.00 2.67 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 7 L 6.79 4.51 0.00 1.61 1.51 0.76 0.65 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 *8 E 8.39 4.33 0.00 1.89 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 2.31 1.90 0.00 9 P 0.00 4.26 0.00 2.16 2.14 0.00 3.88 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 2.10 1.96 0.00 10 G 6.85 3.64 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 0.00 0.00 0.00 11 P 0.00 4.31 0.00 2.10 2.11 0.00 3.43 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 12 D 7.47 4.64 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.46 3.97 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 0.73 0.00 0.00 0.94 0.00 0.00 14 P 0.00 4.74 0.00 2.21 2.18 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 15 E 8.22 4.05 0.00 2.13 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 0.00 2.40 2.25 0.00 16 V 7.91 4.74 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 0.88 0.00 0.00 0.91 0.00 0.00 17 V 8.50 4.50 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 0.63 0.00 0.00 0.98 0.00 0.00 18 Y 8.57 5.19 0.00 2.94 2.75 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 19 A 9.09 4.91 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 20 I 8.95 4.62 1.90 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 1.23 0.65 0.92 0.00 0.00 21 I 8.61 4.24 1.88 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 1.20 0.98 0.00 0.00 22 E 9.64 4.27 0.00 2.11 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 2.34 2.28 0.00 23 I 7.56 4.88 1.67 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.63 0.00 0.00 24 P 0.00 4.75 0.00 2.05 2.05 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 25 K 9.44 4.18 0.00 1.78 1.80 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.56 7.81 26 G 9.49 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.02 4.64 0.00 3.92 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 28 R 8.72 4.53 0.00 2.03 1.99 0.00 3.26 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 29 N 8.11 4.59 0.00 2.16 1.89 0.00 0.00 6.82 7.61 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 30 K 9.12 4.13 0.00 1.97 1.93 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.54 7.81 31 Y 8.29 5.24 0.00 3.04 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 32 E 9.37 5.06 0.00 1.55 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 33 L 9.17 4.53 0.00 1.62 1.60 0.96 1.14 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 34 D 9.46 4.57 0.00 2.85 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 35 K 9.12 4.06 0.00 1.81 1.71 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.01 7.81 36 K 8.39 4.34 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 37 T 8.22 4.16 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 38 G 8.52 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 39 L 7.27 4.72 0.00 1.66 1.60 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.37 4.66 0.00 1.61 1.55 0.98 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.19 4.73 0.00 1.87 1.66 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 42 L 8.58 4.60 0.00 1.80 1.65 0.78 1.19 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 43 D 9.05 4.66 0.00 2.81 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 44 R 7.64 4.61 0.00 1.95 2.01 0.00 2.99 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 45 V 8.17 4.41 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 0.77 0.00 0.00 0.92 0.00 0.00 46 L 8.48 4.25 0.00 1.72 1.55 1.22 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.89 3.91 0.00 2.65 2.90 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 48 S 6.87 4.55 0.00 2.72 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 49 P 0.00 4.65 0.00 2.29 2.12 0.00 3.45 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 50 F 7.65 5.35 0.00 3.09 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 51 F 7.81 5.49 0.00 3.09 3.05 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 0.00 52 Y 9.03 2.76 0.00 3.08 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.57 0.00 1.85 1.74 0.00 2.57 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.00 54 V 7.14 4.75 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 0.88 0.00 0.00 1.12 0.00 0.00 55 D 8.80 4.73 0.00 2.90 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 56 Y 9.00 5.06 0.00 3.08 2.67 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 0.00 0.00 0.00 0.00 57 G 7.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.17 1.86 0.00 *67 D 7.56 4.30 0.00 2.72 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 68 D 6.05 3.87 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.32 0.00 1.80 1.89 0.00 3.51 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 0.00 70 F 9.24 4.77 0.00 3.07 2.90 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 71 D 8.55 4.89 0.00 2.44 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 0.00 0.00 0.00 0.00 72 I 8.29 4.83 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.78 0.00 0.00 73 M 9.27 5.11 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.92 0.00 74 V 9.11 4.70 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 0.88 0.00 0.00 0.91 0.00 0.00 75 I 8.23 4.14 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.51 4.75 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.44 0.00 1.46 1.22 0.00 1.45 0.00 0.00 1.12 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.31 7.81 103 D 8.77 4.98 0.00 2.65 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 0.00 0.00 0.00 0.00 104 Y 8.03 4.66 0.00 2.66 2.87 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 0.00 0.00 0.00 105 K 8.77 4.51 0.00 1.64 1.59 0.00 1.17 0.00 0.00 1.38 0.00 0.00 2.59 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.25 1.38 7.81 106 V 7.95 4.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.39 0.00 0.00 107 L 8.90 5.32 0.00 2.20 1.74 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 A 9.25 5.27 1.19 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.82 3.92 0.00 1.72 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.28 7.81 118 D 8.18 4.95 0.00 2.67 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 0.00 0.00 0.00 0.00 119 W 8.58 4.79 0.00 3.51 3.36 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 0.00 120 K 9.77 4.65 0.00 1.67 1.83 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.42 7.81 121 D 7.91 5.04 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.38 3.59 1.90 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 1.42 0.81 0.91 0.00 0.00 123 D 7.85 4.42 0.00 2.74 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 0.00 124 D 7.73 4.10 0.00 2.38 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 0.00 0.00 0.00 0.00 125 V 6.61 3.27 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 0.90 0.00 0.00 0.83 0.00 0.00 126 P 0.00 4.13 0.00 2.28 2.00 0.00 3.68 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 127 K 8.90 3.75 0.00 1.79 1.78 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.56 7.81 128 A 7.96 4.03 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 0.00 129 F 8.24 4.19 0.00 3.13 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 0.00 130 L 7.78 3.56 0.00 1.58 0.90 0.36 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.26 4.49 0.00 2.85 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 0.00 132 E 8.05 3.88 0.00 2.10 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 0.00 2.03 2.02 0.00 133 I 7.53 3.28 2.04 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 1.05 0.38 0.83 0.00 0.00 134 A 7.99 3.83 1.54 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 0.00 135 H 8.53 4.11 0.00 3.26 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.88 3.61 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.39 3.62 0.00 3.18 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 0.00 138 K 8.28 4.17 0.00 2.19 2.00 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 139 R 7.77 4.58 0.00 1.78 2.03 0.00 3.65 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 140 Y 8.17 4.33 0.00 2.67 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 0.00 0.00 0.00 141 K 7.64 4.13 0.00 1.51 1.49 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.53 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.02 0.21 7.81 142 E 8.07 3.91 0.00 2.10 1.92 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 2.28 2.26 0.00 143 L 7.64 4.17 0.00 1.64 1.79 0.94 0.89 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 0.00 144 Q 7.46 3.83 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 145 G 7.70 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 0.00 0.00 0.00 146 K 7.58 4.33 0.00 1.56 1.68 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.41 7.81 147 E 8.79 4.69 0.00 1.62 1.80 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 2.20 1.84 0.00 148 I 8.60 5.02 1.87 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 1.20 1.22 0.91 0.00 0.00 149 I 8.78 4.43 1.87 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 1.11 0.61 0.91 0.00 0.00 150 V 8.25 4.24 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 1.09 0.00 0.00 1.08 0.00 0.00 151 E 8.77 3.92 0.00 1.73 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 2.30 2.18 0.00 152 G 7.20 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 0.00 0.00 0.00 153 W 8.74 5.21 0.00 3.29 3.14 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 0.00 154 E 9.31 4.83 0.00 1.95 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 2.25 2.26 0.00 155 G 8.28 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 9.27 4.11 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 0.00 157 E 8.28 3.93 0.00 2.16 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 2.40 1.95 0.00 158 A 8.07 4.03 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 0.00 159 A 7.89 4.10 1.48 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 0.00 0.00 0.00 160 K 8.34 4.05 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.67 7.81 161 R 8.09 3.97 0.00 2.16 2.06 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 162 E 8.44 4.05 0.00 2.48 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 0.00 2.70 2.80 0.00 163 I 8.15 4.06 2.15 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 1.69 0.91 1.01 0.00 0.00 164 L 7.94 4.04 0.00 1.95 1.77 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.34 3.87 0.00 2.06 2.10 0.00 3.10 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 166 A 8.17 4.72 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 I 8.46 4.09 2.09 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 1.25 1.56 0.97 0.00 0.00 168 E 8.21 4.10 0.00 2.21 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 0.00 2.55 2.39 0.00 169 M 8.42 4.14 0.00 2.33 2.63 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 2.79 2.61 0.00 170 Y 8.28 4.31 0.00 3.20 3.27 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 0.00 171 K 7.99 4.08 0.00 1.99 1.91 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.78 7.81 172 E 8.33 4.17 0.00 2.07 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 2.26 2.19 0.00 173 K 7.81 3.91 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *174 F 7.84 4.37 0.00 1.89 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 * Residues marked with a * may have inaccurate shift predictions.