NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 Y 4.5611 8.1401 118.9127 56.8116 39.2974 173.8539 15 A 4.1656 8.4946 123.6170 50.1891 20.0032 175.2393 16 A 4.4966 8.4736 126.2666 54.4932 19.9749 175.4004 17 W 5.8445 7.5296 108.5564 55.4504 31.8594 174.2869 18 R 4.7393 9.5487 118.8747 54.7414 34.3506 174.1195 19 R 5.1361 8.9549 123.1969 55.3269 31.8462 175.8517 20 A 4.6055 9.1637 129.1606 51.1762 21.3405 176.5952 21 G 4.0163 8.3229 114.3172 48.2359 0.0000 173.9615 22 D 4.3603 8.7880 125.3077 54.5234 41.2318 175.2090 23 F 5.1492 8.0097 118.6643 55.8697 41.7021 174.8035 24 I 4.9154 9.0840 123.6370 59.6642 39.9818 174.4870 25 F 5.0188 9.1317 126.5114 56.3836 40.4577 175.0703 26 L 5.2826 8.4921 123.8605 53.1052 43.3788 176.9624 27 S 4.3706 8.7710 118.6453 58.3035 63.6708 174.6015 28 G 4.0669 8.6484 109.1714 46.4955 0.0000 172.6785 29 I 4.9363 8.7719 124.1786 59.1676 40.4462 174.7535 30 I 4.8193 8.3653 119.0791 58.1436 40.9270 174.4389 31 P 4.7600 0.0000 0.0000 62.0532 29.5687 174.7895 32 V 4.9098 7.6513 118.4308 59.3842 35.6827 175.0227 33 N 5.8001 8.3286 126.5996 52.7127 37.2252 178.7077 *36 T 4.0640 8.7031 122.6244 62.8006 67.9331 173.6208 37 G 3.9082 8.8197 117.5036 47.1750 0.0000 174.1408 38 T 4.3109 7.6407 114.2789 60.8530 70.2501 177.5214 39 I 4.4272 8.0076 122.2369 60.4645 38.2448 176.0435 40 V 3.6317 7.9077 127.3543 63.6234 31.4953 175.5807 41 N 4.8623 8.5618 121.6819 51.5829 38.9957 173.4867 42 G 4.2860 7.0834 106.6509 45.6690 0.0000 174.4235 43 F 4.4131 8.0461 117.4927 60.5948 39.1594 177.9231 44 Q 4.2686 8.4446 118.0966 59.3927 28.0506 178.1659 45 D 4.6799 8.1451 116.0914 55.1444 41.2674 176.4673 46 V 4.5763 7.8993 113.1861 58.0511 34.5155 173.6805 47 P 4.2125 0.0000 0.0000 63.2996 31.1476 176.8944 48 E 3.8727 8.9181 119.9513 59.3672 28.8001 177.7189 49 P 4.2467 0.0000 0.0000 65.0760 31.2525 178.7401 50 V 3.4200 7.6020 117.3846 65.5600 31.3146 177.9395 51 R 3.6753 7.3076 116.6883 59.5230 29.8219 178.4189 52 E 3.7836 7.9603 118.0543 59.3162 29.3517 178.5257 53 L 3.9417 7.2376 118.5944 57.7324 42.2043 178.3334 54 L 4.3922 7.8507 117.8371 55.0643 41.7927 177.5490 55 G 4.1582 7.6715 107.4473 45.0689 0.0000 173.7426 56 A 3.9609 7.5254 122.8218 52.6818 18.4479 178.5576 57 T 4.1726 8.9748 112.8023 61.5813 69.8152 176.3400 58 G 3.9784 8.1134 109.8591 45.4369 0.0000 173.9502 59 E 4.3010 8.0886 120.5374 55.6514 31.0984 176.4986 60 F 4.3047 9.0923 126.1515 62.2235 39.2845 177.6065 61 S 3.8015 8.0470 113.6929 61.6118 62.7348 176.8421 62 T 3.9158 7.8049 117.8908 66.9361 68.3681 176.4009 63 D 4.6406 8.2768 120.3462 57.2316 40.5595 178.7599 64 A 3.8567 7.5351 120.8737 54.8103 18.3139 179.4935 65 K 3.9960 7.4348 116.5802 59.4033 32.7401 179.3664 66 Q 3.4542 8.2691 117.9512 58.7164 28.4168 178.4477 67 G 2.4727 7.5312 107.8399 47.0513 0.0000 173.7001 68 P 4.0883 0.0000 0.0000 64.8564 31.3295 178.6378 69 I 3.5708 7.2923 116.8273 63.8909 37.9761 177.7397 70 L 4.0528 7.7064 119.6147 57.7888 41.4103 179.4063 71 A 4.1913 8.2208 121.0299 55.3961 18.3334 179.7337 72 Q 4.0214 8.3820 116.8393 59.3072 28.8034 179.2359 73 S 4.2959 8.5304 116.4559 61.2157 62.8755 176.6389 74 W 4.1979 8.5784 131.1491 60.7265 30.6741 177.3616 75 Y 3.5855 8.7246 119.8702 60.6286 38.1746 178.4163 76 V 3.5967 8.0921 119.1147 65.9787 31.6433 178.1110 77 L 3.5697 7.6512 118.7280 57.4708 41.2329 179.0914 78 E 3.7577 7.7543 119.5738 59.2344 29.3453 178.9680 79 S 4.0029 7.5947 115.1767 61.4836 62.8030 176.8088 80 I 3.6479 7.5538 122.4493 64.3870 36.8583 178.2950 81 R 3.8538 7.9369 119.5294 59.5144 29.7662 178.8226 82 R 3.8532 8.2962 118.0365 59.6018 29.9280 179.0273 83 T 3.9077 7.9411 114.4713 66.6524 68.7743 176.5177 84 V 3.4592 8.3590 120.0491 65.8223 31.3073 177.8524 85 A 4.6310 8.2718 122.1095 54.5935 18.0524 179.3376 86 S 4.3634 8.1550 108.4794 59.5603 62.9090 174.3967 87 A 4.2512 7.7711 123.2747 51.7508 19.5531 177.1116 88 G 3.8374 9.4371 105.6931 45.0223 0.0000 173.4183 89 G 4.1461 7.7519 110.7046 44.0952 0.0000 175.0258 90 Q 4.1680 10.2532 118.5160 55.2341 28.4013 174.7168 *92 S 4.6659 9.2636 110.7548 58.7519 65.2654 174.7150 93 D 4.5537 8.4900 121.9834 55.9340 41.0683 176.2803 94 V 4.3142 7.8279 119.6265 62.7228 31.8575 175.1613 95 I 4.1426 9.0131 122.5919 62.5703 39.3526 175.8479 96 K 5.0183 8.0146 123.4800 54.0873 35.3520 174.6543 97 L 5.1843 9.4542 127.8925 52.9072 44.9695 175.3622 98 V 4.5309 8.7131 123.9102 61.1864 33.8702 174.1461 99 Q 4.7747 9.2076 127.6453 54.2689 31.5878 174.0290 100 Y 5.2587 8.7457 122.5993 56.3658 40.4038 174.9666 101 F 5.3722 9.2126 122.0496 55.7776 42.3292 176.6258 102 R 4.4328 8.6162 121.0313 58.8591 30.9714 176.6446 103 N 4.8428 8.3146 117.4666 51.2733 39.8521 174.3221 104 L 3.7032 9.2388 128.1551 57.4331 41.4685 178.9823 105 D 4.4285 8.3468 117.8791 56.8088 41.0252 177.5979 106 H 4.8660 8.6310 117.0712 57.4764 28.7676 176.8595 107 F 3.9892 8.1743 123.9376 61.2117 38.9534 175.1995 108 P 4.3338 0.0000 0.0000 65.8479 30.5632 178.2128 109 Y 4.1724 7.9556 115.5378 61.0711 37.8158 177.3950 110 Y 4.2131 8.2070 120.0451 60.9122 39.0140 177.9918 111 S 3.7467 8.3263 114.2448 60.9972 62.1126 176.1105 112 R 3.8952 7.4438 121.2532 59.1379 30.0965 178.4174 113 V 3.8552 7.4551 116.9310 66.0494 31.6758 177.9264 114 R 3.9538 7.9275 118.7538 59.4822 29.2289 178.5292 115 K 4.1046 7.9574 117.9609 59.3090 31.8333 178.8774 116 L 3.8050 7.9313 117.7116 56.5002 41.5426 177.6141 117 F 4.4555 8.1533 115.8321 57.3536 40.8569 175.3849 118 Y 4.6462 7.2868 117.0837 55.5767 38.2424 173.0020 119 P 4.6354 0.0000 0.0000 64.8233 33.6180 177.1384 120 D 4.9639 7.8079 122.3850 54.6740 39.0746 180.2143 121 Q 4.3082 9.0049 130.8832 54.3112 28.0387 174.4736 122 P 4.3518 0.0000 0.0000 60.7310 31.9987 174.7140 123 P 4.4819 0.0000 0.0000 62.0334 32.6337 175.9807 124 V 3.7673 8.7233 120.9932 63.2336 32.6108 174.6348 125 S 5.1843 8.5571 120.8683 56.8366 65.2551 172.8749 126 T 4.6724 8.9995 123.4551 61.7009 71.7676 173.2040 127 V 4.8200 8.2909 124.9372 61.4127 34.2883 174.7437 128 V 4.5993 8.7221 120.2621 59.7176 36.4666 174.0467 129 Q 4.9240 8.7258 124.7950 55.5662 29.9689 175.0090 130 V 4.6227 8.8529 120.6388 60.0261 34.5906 175.4937 131 S 4.3399 8.7388 115.9166 61.4027 63.2570 173.5643 132 E 4.4631 7.4234 116.5606 55.6062 31.8090 173.5647 *134 L 4.1128 8.2197 117.2782 54.4429 42.5547 175.1174 135 P 4.5799 0.0000 0.0000 63.0223 32.3845 174.4342 136 D 4.3875 7.2510 117.3344 52.9643 41.4129 175.7899 137 A 4.1915 8.5506 121.2967 54.4481 18.4063 178.6710 138 T 4.0535 7.8357 105.2116 63.0683 69.2797 175.3247 139 V 3.7139 7.4869 123.1029 63.0337 31.8153 175.2542 140 L 4.7562 9.0652 126.1786 54.9079 43.8592 175.9741 141 I 4.4189 7.3543 117.9970 59.5686 41.0804 173.2867 142 E 4.8443 8.9630 129.3935 54.4551 33.3402 173.9355 143 V 4.5785 8.4491 125.9233 61.0386 34.5714 173.4491 144 E 5.1136 9.4813 128.9062 54.4606 31.8734 174.2375 145 A 5.3093 8.7066 127.6579 50.4644 22.6473 174.7552 146 T 5.0072 8.8471 117.0508 61.6871 72.0614 173.2265 147 V 4.7476 9.2150 126.3557 60.8426 34.4242 174.1231 148 W 4.4314 9.2287 135.0000 55.9574 30.9991 175.2681 149 L 4.1215 8.0446 129.8558 52.1169 42.0412 174.1853 150 P 4.1002 0.0000 0.0000 62.1175 31.1760 176.4294 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 14 Y 8.14 4.56 0.00 3.09 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 15 A 8.49 4.17 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 16 A 8.47 4.50 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 17 W 7.53 5.84 0.00 3.55 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 18 R 9.55 4.74 0.00 1.87 1.92 0.00 3.09 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 19 R 8.95 5.14 0.00 2.25 2.11 0.00 3.32 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 20 A 9.16 4.61 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 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 0.00 0.00 0.00 0.00 22 D 8.79 4.36 0.00 2.38 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 0.00 0.00 0.00 23 F 8.01 5.15 0.00 3.01 2.44 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 0.00 24 I 9.08 4.92 1.74 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.84 0.00 0.00 25 F 9.13 5.02 0.00 3.25 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 26 L 8.49 5.28 0.00 1.85 1.72 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.77 4.37 0.00 4.01 3.87 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 28 G 8.65 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 0.00 0.00 0.00 29 I 8.77 4.94 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 1.00 0.00 0.00 30 I 8.37 4.82 1.88 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 1.42 0.59 0.95 0.00 0.00 31 P 0.00 4.76 0.00 2.03 2.45 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 32 V 7.65 4.91 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 0.99 0.00 0.00 33 N 8.33 5.80 0.00 3.00 2.02 0.00 0.00 6.86 8.43 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 *36 T 8.70 4.06 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 1.25 0.00 0.00 37 G 8.82 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 38 T 7.64 4.31 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 39 I 8.01 4.43 1.83 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 1.19 0.96 0.86 0.00 0.00 40 V 7.91 3.63 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 0.71 0.00 0.00 0.03 0.00 0.00 41 N 8.56 4.86 0.00 2.75 2.76 0.00 0.00 6.07 7.00 0.00 0.00 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 7.08 4.29 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 0.00 43 F 8.05 4.41 0.00 3.12 2.99 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 44 Q 8.44 4.27 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 45 D 8.15 4.68 0.00 2.88 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 46 V 7.90 4.58 1.69 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 0.95 0.00 0.00 1.02 0.00 0.00 47 P 0.00 4.21 0.00 2.09 2.20 0.00 3.56 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 1.65 2.02 0.00 48 E 8.92 3.87 0.00 2.20 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 0.00 2.33 2.42 0.00 49 P 0.00 4.25 0.00 2.10 2.08 0.00 3.52 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 2.07 2.09 0.00 50 V 7.60 3.42 1.68 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 0.10 0.00 0.00 0.58 0.00 0.00 51 R 7.31 3.68 0.00 1.84 1.47 0.00 3.06 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 52 E 7.96 3.78 0.00 1.96 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 2.32 2.37 0.00 53 L 7.24 3.94 0.00 1.77 1.68 0.87 0.95 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 54 L 7.85 4.39 0.00 1.94 1.91 1.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.67 4.16 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 0.00 56 A 7.53 3.96 0.42 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 57 T 8.97 4.17 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 1.31 0.00 0.00 58 G 8.11 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 0.00 0.00 0.00 59 E 8.09 4.30 0.00 2.09 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 2.37 2.34 0.00 60 F 9.09 4.30 0.00 3.13 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 61 S 8.05 3.80 0.00 3.92 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 62 T 7.80 3.92 4.29 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 1.29 0.00 0.00 63 D 8.28 4.64 0.00 2.82 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 64 A 7.54 3.86 0.98 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 0.00 0.00 65 K 7.43 4.00 0.00 1.67 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.56 7.81 66 Q 8.27 3.45 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 67 G 7.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.09 0.00 2.02 2.07 0.00 3.58 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 69 I 7.29 3.57 1.51 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.45 0.00 0.00 70 L 7.71 4.05 0.00 1.74 1.84 1.17 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.22 4.19 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 0.00 0.00 72 Q 8.38 4.02 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 73 S 8.53 4.30 0.00 4.16 4.15 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 74 W 8.58 4.20 0.00 3.59 3.58 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 75 Y 8.72 3.59 0.00 3.45 2.99 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 76 V 8.09 3.60 2.23 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 0.97 0.00 0.00 1.02 0.00 0.00 77 L 7.65 3.57 0.00 0.86 0.13 0.54 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.75 3.76 0.00 1.16 1.12 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 1.48 1.93 0.00 79 S 7.59 4.00 0.00 4.01 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 80 I 7.55 3.65 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.91 0.00 0.00 81 R 7.94 3.85 0.00 2.04 2.08 0.00 3.08 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 82 R 8.30 3.85 0.00 1.79 1.92 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 83 T 7.94 3.91 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 1.41 0.00 0.00 84 V 8.36 3.46 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 0.92 0.00 0.00 0.90 0.00 0.00 85 A 8.27 4.63 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 86 S 8.15 4.36 0.00 4.07 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 0.00 87 A 7.77 4.25 -0.02 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 0.00 0.00 88 G 9.44 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 89 G 7.75 4.15 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 0.00 90 Q 10.25 4.17 0.00 1.84 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.44 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 *92 S 9.26 4.67 0.00 4.10 4.13 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 93 D 8.49 4.55 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.83 4.31 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 0.89 0.00 0.00 1.03 0.00 0.00 95 I 9.01 4.14 1.93 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 1.30 1.37 0.91 0.00 0.00 96 K 8.01 5.02 0.00 1.86 1.70 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.45 7.81 97 L 9.45 5.18 0.00 1.55 1.55 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.71 4.53 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.96 0.00 0.00 99 Q 9.21 4.77 0.00 2.05 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.56 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 100 Y 8.75 5.26 0.00 2.77 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 0.00 101 F 9.21 5.37 0.00 3.00 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 0.00 102 R 8.62 4.43 0.00 1.76 2.05 0.00 3.25 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 103 N 8.31 4.84 0.00 2.67 2.55 0.00 0.00 7.22 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 0.00 104 L 9.24 3.70 0.00 1.60 1.52 0.78 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.35 4.43 0.00 2.72 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 0.00 106 H 8.63 4.87 0.00 3.61 3.65 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.17 3.99 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.33 0.00 1.80 1.95 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 109 Y 7.96 4.17 0.00 3.48 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 0.00 110 Y 8.21 4.21 0.00 3.40 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 0.00 111 S 8.33 3.75 0.00 3.13 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 0.00 112 R 7.44 3.90 0.00 1.79 2.16 0.00 3.45 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 113 V 7.46 3.86 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 1.30 0.00 0.00 1.22 0.00 0.00 114 R 7.93 3.95 0.00 1.17 1.74 0.00 3.19 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 1.86 1.79 0.00 115 K 7.96 4.10 0.00 2.03 1.87 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.61 7.81 116 L 7.93 3.80 0.00 1.64 1.53 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.15 4.46 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.29 4.65 0.00 2.86 2.94 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 0.00 119 P 0.00 4.64 0.00 2.04 2.09 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 120 D 7.81 4.96 0.00 2.72 1.77 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 0.00 121 Q 9.00 4.31 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.27 1.95 0.00 122 P 0.00 4.35 0.00 2.02 2.00 0.00 3.66 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 123 P 0.00 4.48 0.00 1.86 2.05 0.00 3.11 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.00 124 V 8.72 3.77 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 0.88 0.00 0.00 0.91 0.00 0.00 125 S 8.56 5.18 0.00 3.89 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.00 4.67 4.16 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 1.14 0.00 0.00 127 V 8.29 4.82 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 0.72 0.00 0.00 1.01 0.00 0.00 128 V 8.72 4.60 2.16 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 0.63 0.00 0.00 1.06 0.00 0.00 129 Q 8.73 4.92 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 130 V 8.85 4.62 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 0.91 0.00 0.00 1.07 0.00 0.00 131 S 8.74 4.34 0.00 3.85 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 0.00 132 E 7.42 4.46 0.00 1.86 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 0.00 2.17 2.30 0.00 *134 L 8.22 4.11 0.00 1.66 1.62 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.58 0.00 2.17 2.16 0.00 3.79 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 1.92 1.94 0.00 136 D 7.25 4.39 0.00 2.85 2.78 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 0.00 137 A 8.55 4.19 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 0.00 138 T 7.84 4.05 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 1.20 0.00 0.00 139 V 7.49 3.71 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 0.80 0.00 0.00 0.96 0.00 0.00 140 L 9.07 4.76 0.00 1.73 1.72 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.35 4.42 1.59 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.21 0.93 0.00 0.00 142 E 8.96 4.84 0.00 2.04 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 2.28 2.34 0.00 143 V 8.45 4.58 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 0.98 0.00 0.00 0.88 0.00 0.00 144 E 9.48 5.11 0.00 2.18 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 2.33 2.34 0.00 145 A 8.71 5.31 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 0.00 146 T 8.85 5.01 4.32 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 1.12 0.00 0.00 147 V 9.22 4.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 148 W 9.23 4.43 0.00 3.15 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 0.00 149 L 8.04 4.12 0.00 1.36 1.22 0.79 1.11 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 0.00 150 P 0.00 4.10 0.00 1.73 1.81 0.00 2.66 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 1.14 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.