NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7406 8.4201 119.2042 53.0298 41.3617 176.9568 0 A 4.3731 8.0630 124.4277 50.2555 17.8631 179.8507 2 T 4.7127 9.2342 111.3513 61.2681 73.8778 172.0426 3 Q 3.9088 8.7628 122.2417 59.5448 28.7712 179.7846 4 E 3.9086 8.0899 119.3800 59.5101 29.8288 178.7676 5 T 3.7925 8.0149 115.5118 66.6686 68.4711 176.3864 6 A 3.9890 8.1087 122.6634 55.1084 18.3712 179.3902 7 L 3.9531 8.1619 118.9364 58.1806 42.1023 179.3117 8 G 3.6123 8.0178 105.4856 47.9007 0.0000 175.5064 9 A 3.9836 8.0142 122.9765 54.5516 18.3598 179.5644 10 A 3.8952 8.2472 119.5966 55.3433 18.4592 179.7827 11 L 3.8692 8.3521 117.7604 57.8703 41.6912 179.3142 12 K 3.9054 8.3207 120.0436 59.9138 31.8959 178.9028 13 S 4.1965 8.2565 113.4919 61.0059 62.6294 176.0077 14 A 4.1290 7.9040 125.0188 55.2648 17.9331 180.0218 15 V 3.7015 7.8357 110.0198 64.4597 31.7593 178.3699 16 Q 4.2740 8.0071 116.1858 57.4848 28.5466 176.4833 17 T 4.2020 7.2704 109.7914 62.0366 69.3645 175.0502 *19 S 4.1956 7.9605 115.1253 58.9426 64.3898 173.4073 20 K 3.9903 8.6130 127.6215 59.3671 31.8138 179.3056 21 K 3.8658 8.0015 119.4270 59.4088 31.9958 178.3453 22 K 3.8583 7.9388 117.8053 59.7001 32.1433 177.9782 23 Q 4.1486 8.1941 117.1942 59.3568 28.9643 178.7931 24 T 3.9984 7.9755 116.7316 66.4025 68.6255 178.7210 25 E 3.9248 8.0400 119.7758 56.3586 29.5202 178.9565 *27 I 3.3605 7.8570 121.7274 62.2231 39.4524 178.0754 28 A 3.8188 7.9042 121.9282 55.2677 18.1854 179.2145 29 D 4.3377 8.0765 116.5780 57.5755 41.3178 177.9653 30 H 4.0574 8.0539 118.2931 59.3369 30.0233 177.2458 31 I 3.6542 7.7498 121.6181 64.6595 36.6682 178.1527 32 Y 4.2618 7.8728 116.6908 60.9252 37.7248 178.5432 33 G 3.7361 8.1059 105.7883 46.4667 0.0000 174.7352 34 K 4.4302 7.5553 119.0946 55.2568 33.6102 175.1887 35 Y 4.8595 7.4601 116.8501 55.8470 39.8073 175.9302 36 D 4.5031 9.0034 126.1014 57.6080 40.9220 179.2872 37 V 3.5423 7.9424 112.3208 64.0498 31.5442 178.4736 38 F 3.6660 8.2085 117.2915 60.0483 38.8082 177.5818 39 K 4.1368 8.0426 118.3132 59.2824 32.0698 177.4553 40 R 4.4334 8.3488 115.0910 55.2631 30.7443 175.9994 41 F 3.7825 7.3618 115.6580 58.4424 36.8422 175.4068 42 K 4.4739 7.7420 118.2371 54.4431 33.9714 177.0833 43 P 4.2775 0.0000 0.0000 63.4892 32.2646 175.2659 44 L 5.1037 8.9028 123.9645 52.9375 43.2004 176.5475 45 A 4.1732 8.7966 124.3137 52.0541 19.5330 177.4796 46 L 3.9735 8.5397 120.3254 56.1654 42.3357 177.4492 47 G 4.0448 8.8181 108.8922 47.8813 0.0000 175.0385 48 I 4.2398 7.6146 119.5704 61.4908 37.7397 177.1357 49 D 4.3564 7.9647 119.8777 57.3700 39.3664 178.3026 50 Q 3.9970 7.9033 119.5587 58.6719 28.1589 178.4832 51 D 4.3481 8.0050 119.4678 57.2054 40.8569 178.4768 52 L 3.9201 7.9178 120.7986 58.2013 41.9088 179.0096 53 I 3.7137 7.9030 118.7526 64.4165 37.1015 178.0260 54 A 4.1224 7.9783 120.3990 54.9740 18.3162 179.2477 55 A 4.2421 7.9729 117.9956 53.5153 19.9645 177.7950 56 L 4.8090 7.5647 116.6520 52.4052 42.0258 175.5695 57 P 4.3129 0.0000 0.0000 65.0156 32.0231 178.4016 58 Q 3.9585 7.7354 115.1688 58.0781 28.8847 175.7208 59 Y 4.7621 6.9619 116.0315 56.1031 39.6713 175.3135 60 D 4.3382 8.7854 121.7813 54.6640 42.1186 176.7994 61 A 4.0026 8.9138 129.3697 55.6283 18.4353 178.9317 62 A 3.9636 8.1549 118.4715 55.3365 18.4205 179.9219 63 L 3.9891 7.7666 117.0449 57.7637 41.7036 179.4424 64 I 3.5908 7.9138 119.7088 64.3959 37.0471 178.3335 65 A 3.9629 8.0201 121.5696 54.9639 18.0757 179.6955 66 R 3.8515 7.8280 117.0831 59.4397 30.1605 178.9975 67 V 3.5156 7.8836 118.0892 65.8074 31.5145 177.4221 68 L 3.9220 8.0242 120.1112 58.5001 41.6424 178.9625 69 A 4.0067 8.2464 119.2534 55.1713 18.4209 179.0950 70 N 4.4840 8.5208 115.3814 56.5281 38.6051 176.8842 71 H 4.2928 8.7211 120.0956 59.7761 29.8343 176.7091 72 C 3.8609 8.0753 115.3706 60.6681 28.0719 174.8316 73 R 4.5929 7.4134 117.0005 55.2708 30.2806 177.1466 74 R 4.1439 7.6946 120.2106 55.8088 32.0575 175.5975 75 P 4.2854 0.0000 0.0000 65.9244 31.3259 179.2877 76 R 3.7530 7.6190 116.2800 59.1525 29.8309 178.3963 77 Y 4.1688 7.9445 118.9455 60.7249 38.9268 177.4678 78 L 4.0039 8.0784 119.9831 57.9440 41.6749 179.7896 79 K 3.9595 8.2668 118.1108 59.2295 31.9880 179.3153 80 A 3.9375 7.8986 121.2274 55.0117 18.0255 179.7542 81 L 3.7816 7.5789 116.4298 57.7561 41.7686 179.0998 82 A 4.0999 7.9097 119.8649 55.2648 18.3628 179.3783 83 R 3.9276 7.9649 116.4424 59.1611 30.5690 177.8677 84 G 3.6722 8.0232 105.8459 45.1580 0.0000 172.3983 85 G 3.7315 8.3668 105.9263 44.2906 0.0000 172.8238 86 K 4.0751 8.1190 118.4503 56.7286 32.8427 176.9913 87 R 4.9100 8.2186 121.4101 54.9956 33.0387 175.3088 88 F 5.3493 9.0735 118.9896 55.9052 43.1592 175.0408 89 D 5.0401 8.9827 123.0192 51.9547 41.4518 177.2318 90 L 3.9439 8.5752 117.6092 57.5486 41.5430 177.9846 91 N 4.7571 8.4565 114.7731 52.4740 38.5494 174.3120 92 N 4.4237 8.4542 115.7281 55.2888 37.8570 173.9485 93 R 4.7621 7.9281 114.1013 53.6529 34.4499 175.9806 94 F 4.3366 8.2925 120.3665 58.6832 39.5793 175.8565 95 K 4.1774 9.1231 125.1496 56.4759 33.7957 176.4064 96 G 3.7874 9.9398 116.7057 44.6243 0.0000 169.3400 97 E 4.8247 7.9458 114.9926 55.1114 32.7087 174.8410 98 V 4.1606 8.5211 121.8410 62.4727 31.9645 176.0640 99 T 4.1749 8.9666 118.8699 60.7293 70.0715 174.0320 100 P 4.2147 0.0000 0.0000 65.5542 31.2533 178.6857 101 E 3.9146 8.0667 117.7263 59.2163 29.6763 178.4117 102 E 3.9387 8.0498 118.5092 59.6066 29.5199 179.1167 103 Q 4.0698 8.2393 119.2424 59.2441 28.9320 178.3423 104 A 3.9851 8.2047 121.7872 55.1290 18.1990 179.6859 105 I 3.6570 7.6433 117.3076 64.4665 37.4778 178.2498 106 A 4.1620 8.0966 121.7018 55.2129 18.0065 179.7044 107 Q 4.0560 8.1676 115.6634 58.6147 28.8093 177.7760 108 N 4.6298 7.4959 115.4512 52.8561 39.5761 174.6983 109 H 4.3327 7.7940 122.1549 54.9830 30.9512 174.2575 110 P 4.2298 0.0000 0.0000 65.6859 30.1096 178.6436 111 F 4.4692 7.9896 116.1873 61.0792 38.8212 177.9175 112 V 3.9312 7.8666 116.7954 66.0390 31.1299 177.4328 113 Q 3.9917 8.0520 117.5247 58.8851 28.3461 178.6810 114 Q 3.9920 7.5695 117.6100 59.8793 28.5615 179.1034 115 A 4.2387 7.3642 121.5511 53.1960 18.8017 177.9987 116 L 4.5897 7.9943 115.1780 54.9391 44.3760 176.6074 117 Q 4.1775 7.7262 120.1380 56.2137 28.7685 175.4507 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 N 8.42 4.74 0.00 2.70 2.81 0.00 0.00 6.97 7.08 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 A 8.06 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 9.23 4.71 4.23 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 1.21 0.00 0.00 3 Q 8.76 3.91 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 4 E 8.09 3.91 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 2.36 2.38 0.00 5 T 8.01 3.79 4.34 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 1.20 0.00 0.00 6 A 8.11 3.99 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 7 L 8.16 3.95 0.00 1.84 1.83 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.02 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.01 3.98 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 10 A 8.25 3.90 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 11 L 8.35 3.87 0.00 1.68 1.62 0.88 0.86 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 12 K 8.32 3.91 0.00 1.79 1.99 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.59 7.81 13 S 8.26 4.20 0.00 4.04 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 14 A 7.90 4.13 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 15 V 7.84 3.70 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 0.91 0.00 0.00 1.09 0.00 0.00 16 Q 8.01 4.27 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.66 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 17 T 7.27 4.20 4.25 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 1.26 0.00 0.00 *19 S 7.96 4.20 0.00 3.94 3.89 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 0.00 0.00 0.00 20 K 8.61 3.99 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.51 7.81 21 K 8.00 3.87 0.00 1.82 1.80 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 22 K 7.94 3.86 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.61 7.81 23 Q 8.19 4.15 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 24 T 7.98 4.00 4.37 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 1.18 0.00 0.00 25 E 8.04 3.92 0.00 2.21 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 2.50 2.37 0.00 *27 I 7.86 3.36 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.56 0.00 0.00 28 A 7.90 3.82 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 29 D 8.08 4.34 0.00 2.85 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 30 H 8.05 4.06 0.00 3.23 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.75 3.65 1.41 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 1.36 0.38 -0.34 0.00 0.00 32 Y 7.87 4.26 0.00 3.03 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 33 G 8.11 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 0.00 0.00 0.00 34 K 7.56 4.43 0.00 1.56 1.40 0.00 1.55 0.00 0.00 0.92 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.38 1.10 7.81 35 Y 7.46 4.86 0.00 3.34 2.95 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 36 D 9.00 4.50 0.00 2.78 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 37 V 7.94 3.54 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 38 F 8.21 3.67 0.00 3.15 2.69 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 0.00 0.00 0.00 0.00 39 K 8.04 4.14 0.00 1.91 2.07 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.54 7.81 40 R 8.35 4.43 0.00 1.92 1.96 0.00 3.35 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 41 F 7.36 3.78 0.00 3.22 3.20 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 0.00 42 K 7.74 4.47 0.00 1.45 1.32 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.71 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.20 1.17 7.81 43 P 0.00 4.28 0.00 2.32 1.97 0.00 3.70 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 2.15 2.16 0.00 44 L 8.90 5.10 0.00 1.54 1.50 0.11 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.80 4.17 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 46 L 8.54 3.97 0.00 1.65 1.63 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.82 4.04 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 0.00 0.00 0.00 48 I 7.61 4.24 2.06 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 1.17 2.01 0.92 0.00 0.00 49 D 7.96 4.36 0.00 2.94 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 50 Q 7.90 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 51 D 8.01 4.35 0.00 2.80 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 52 L 7.92 3.92 0.00 2.04 1.69 0.64 0.80 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 53 I 7.90 3.71 2.00 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 1.46 0.76 0.92 0.00 0.00 54 A 7.98 4.12 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 55 A 7.97 4.24 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 56 L 7.56 4.81 0.00 1.81 1.66 0.99 1.39 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 57 P 0.00 4.31 0.00 1.98 2.08 0.00 3.59 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 1.99 2.05 0.00 58 Q 7.74 3.96 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.57 0.00 59 Y 6.96 4.76 0.00 2.94 2.80 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 0.00 0.00 0.00 60 D 8.79 4.34 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.91 4.00 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 62 A 8.15 3.96 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 63 L 7.77 3.99 0.00 1.82 1.67 0.92 0.88 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 64 I 7.91 3.59 2.03 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 1.41 0.64 0.87 0.00 0.00 65 A 8.02 3.96 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 66 R 7.83 3.85 0.00 1.93 2.11 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 67 V 7.88 3.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.88 0.00 0.00 68 L 8.02 3.92 0.00 1.77 1.83 0.99 1.18 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 69 A 8.25 4.01 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 70 N 8.52 4.48 0.00 2.95 2.95 0.00 0.00 6.58 8.84 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 71 H 8.72 4.29 0.00 3.34 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.08 3.86 0.00 2.93 2.95 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 73 R 7.41 4.59 0.00 2.01 2.10 0.00 3.15 0.00 0.00 3.29 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 74 R 7.69 4.14 0.00 2.25 1.93 0.00 3.18 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 75 P 0.00 4.29 0.00 1.78 1.31 0.00 3.41 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 1.58 1.02 0.00 76 R 7.62 3.75 0.00 0.68 1.33 0.00 2.79 0.00 0.00 2.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.21 0.00 77 Y 7.94 4.17 0.00 3.29 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.08 4.00 0.00 1.96 1.73 0.93 1.37 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 79 K 8.27 3.96 0.00 1.92 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.64 7.81 80 A 7.90 3.94 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 81 L 7.58 3.78 0.00 1.69 1.65 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.91 4.10 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 83 R 7.96 3.93 0.00 1.80 2.14 0.00 3.32 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 1.64 1.64 0.00 84 G 8.02 3.67 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 0.00 0.00 0.00 85 G 8.37 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.12 4.08 0.00 0.94 0.79 0.00 1.27 0.00 0.00 1.29 0.00 0.00 2.35 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.73 0.21 7.81 87 R 8.22 4.91 0.00 1.88 1.84 0.00 3.12 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 88 F 9.07 5.35 0.00 2.92 2.98 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 89 D 8.98 5.04 0.00 2.79 2.84 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 90 L 8.58 3.94 0.00 1.59 1.56 0.67 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.46 4.76 0.00 2.87 2.88 0.00 0.00 6.92 7.58 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 92 N 8.45 4.42 0.00 2.90 2.95 0.00 0.00 6.86 7.19 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 93 R 7.93 4.76 0.00 2.07 1.71 0.00 3.20 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 94 F 8.29 4.34 0.00 2.76 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 95 K 9.12 4.18 0.00 1.68 1.67 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 96 G 9.94 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 97 E 7.95 4.82 0.00 1.84 1.75 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 2.13 2.18 0.00 98 V 8.52 4.16 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 0.78 0.00 0.00 0.90 0.00 0.00 99 T 8.97 4.17 4.23 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 1.19 0.00 0.00 100 P 0.00 4.21 0.00 2.17 2.12 0.00 3.58 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 2.09 2.12 0.00 101 E 8.07 3.91 0.00 2.07 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 2.37 2.46 0.00 102 E 8.05 3.94 0.00 2.22 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 0.00 2.34 2.33 0.00 103 Q 8.24 4.07 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 104 A 8.20 3.99 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 0.00 105 I 7.64 3.66 1.99 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 1.46 0.75 0.92 0.00 0.00 106 A 8.10 4.16 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 0.00 107 Q 8.17 4.06 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 108 N 7.50 4.63 0.00 2.78 2.83 0.00 0.00 6.95 8.03 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 0.00 109 H 7.79 4.33 0.00 3.21 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.23 0.00 1.97 2.00 0.00 2.97 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 111 F 7.99 4.47 0.00 3.08 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 0.00 112 V 7.87 3.93 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 1.09 0.00 0.00 1.02 0.00 0.00 113 Q 8.05 3.99 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.44 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 114 Q 7.57 3.99 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 115 A 7.36 4.24 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 0.00 116 L 7.99 4.59 0.00 1.60 1.68 0.97 0.73 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 0.00 117 Q 7.73 4.18 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.