NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4536 8.3644 120.1985 54.1525 43.2800 174.9564 2 V 3.6357 7.7254 123.6261 63.1942 31.9171 173.8122 3 Q 4.8685 9.8935 129.8405 53.6850 32.8821 170.4651 4 L 5.7068 8.4364 119.9893 52.0648 44.9018 176.2609 5 V 4.2285 8.3258 123.7291 61.2653 33.2313 174.7133 6 E 5.2263 8.8484 127.7693 55.5201 31.5084 175.5913 7 S 4.7664 8.6483 114.2116 58.8130 65.3883 177.3378 8 G 4.0440 8.8134 107.7872 46.0659 0.0000 174.0670 9 G 3.7651 7.4178 108.2341 45.2770 0.0000 172.6938 10 G 3.6772 7.5060 105.0057 44.7692 0.0000 174.0428 11 S 4.8673 8.1633 116.7055 58.1136 64.2033 175.1863 *12 V 4.1157 7.8339 118.0306 60.5179 33.4889 175.9196 13 Q 4.3358 8.3149 119.1595 54.5344 29.3936 174.7791 14 A 4.1107 8.4708 123.3153 56.0177 18.1453 177.8006 15 G 4.0348 8.8250 110.5780 45.5491 0.0000 173.4254 16 G 3.9943 8.5320 108.5015 45.5675 0.0000 172.3845 17 S 5.4517 8.1634 113.2131 56.8290 65.9981 172.9656 18 L 4.4423 8.2042 120.0901 53.6897 46.3456 174.4064 19 R 4.6825 8.2403 121.4999 54.5578 33.0821 173.9734 20 L 4.7053 8.6970 127.6675 54.1088 43.4767 176.0207 21 S 4.9297 9.0852 119.5900 56.9879 65.9292 172.5376 22 C 5.3727 9.1657 125.4562 54.0938 44.3038 171.3262 23 A 4.4961 8.4614 125.3080 50.7460 19.5317 176.2863 24 V 4.6956 8.3695 122.9849 61.0286 33.3743 174.9917 25 S 4.7206 9.3249 122.9199 57.2981 66.1729 174.1255 26 G 4.0239 8.9696 109.7265 45.5469 0.0000 174.3899 27 S 4.2018 8.3264 116.3096 58.1392 61.5394 175.0159 28 T 3.9791 8.4102 121.7839 61.5565 67.6134 176.2547 *29 Y 3.6434 8.8602 115.6186 58.2273 35.9037 168.9657 30 S 4.6097 7.3269 112.5818 56.4676 67.3496 173.2148 31 P 4.3682 0.0000 0.0000 63.4481 31.5036 176.1898 32 C 5.2814 8.4110 116.8495 55.5843 43.3155 173.2188 33 T 4.7023 8.3372 118.1812 62.7407 70.3648 173.8548 34 T 4.8861 8.6655 122.9294 61.6876 71.1049 173.7081 35 G 4.5589 9.3248 113.9234 44.1046 0.0000 171.6379 36 W 5.5056 8.8399 120.4663 54.7358 32.4714 175.1305 37 V 5.1440 9.6443 117.9672 59.5512 35.2283 174.9830 38 R 5.4695 8.3474 119.8240 53.7421 33.0045 174.6757 39 Q 5.0473 8.3967 119.4441 53.1311 32.0743 173.9885 40 A 4.6484 8.6198 128.7407 50.7637 20.1181 174.7463 41 P 4.2330 0.0000 0.0000 64.4219 31.7297 176.9067 42 G 4.0770 8.9776 112.0612 45.6619 0.0000 173.5365 43 K 4.4560 7.8064 118.7950 55.5249 34.5110 177.7841 44 G 4.2501 7.9971 112.0768 45.8706 0.0000 174.5613 45 L 5.1502 8.5187 124.5727 52.4942 44.3729 175.2725 46 E 4.8409 8.6571 119.5859 54.0119 33.1341 174.4599 47 W 4.0038 9.1587 133.5214 58.2198 30.8920 174.8141 48 V 3.7060 8.8839 130.5110 63.6339 31.0051 175.5599 49 S 4.5559 7.3449 111.6194 56.8559 67.3009 172.5673 50 S 5.2177 8.4123 117.0308 57.4624 68.0682 173.7226 51 I 4.9051 8.4467 122.8143 59.2316 39.9585 176.3106 52 S 4.2205 9.0168 125.9243 59.6231 63.1271 174.2669 53 S 4.8990 8.5520 117.9563 58.7619 59.7146 170.5542 54 P 4.1220 0.0000 0.0000 63.6250 31.1519 176.2952 55 G 3.7568 7.2839 104.6219 45.3216 0.0000 174.4927 56 T 3.9739 7.7695 118.1568 63.8037 69.0445 174.3580 57 I 5.3082 8.0347 128.7104 61.8176 39.9734 174.9672 *58 Y 5.0268 7.0491 121.4076 57.9116 39.4511 167.3181 59 Y 5.0180 8.5150 119.8552 55.5656 42.3468 174.7069 60 Q 4.4873 8.5292 124.1683 55.8831 29.8715 176.6422 61 D 4.3203 9.2904 125.8379 57.7547 41.0316 179.1904 62 S 4.2839 8.1217 111.7798 60.2065 63.3049 174.9263 63 V 3.8079 8.2170 113.4003 60.2995 33.0314 175.6810 64 K 3.5690 7.1911 118.6922 58.1567 32.1341 177.2449 65 G 3.9208 8.6918 112.0278 44.9836 0.0000 173.7840 66 R 4.5049 8.1917 117.8931 56.3621 33.1363 175.8999 67 F 5.6713 7.9846 115.9913 55.9713 41.5856 175.5786 68 T 4.7153 8.9696 119.6090 61.9181 71.3387 172.7991 69 I 4.8275 9.1967 128.8599 59.5892 38.8639 174.8321 70 S 5.0473 8.7306 123.8656 56.6798 66.6247 172.8418 71 R 5.0145 8.5507 119.3427 55.0751 33.6655 174.2068 72 D 4.7476 9.3148 123.4008 52.1039 42.2227 175.4693 73 N 4.2018 9.1011 122.2072 56.1870 39.0455 176.4173 74 A 4.1596 8.3305 119.1509 55.3977 18.2776 178.7693 75 K 4.0653 8.5517 112.3188 56.7278 33.1572 176.4654 76 N 4.1405 8.2882 117.8785 54.9648 37.5768 173.5292 77 T 4.9958 7.3596 113.4333 61.8353 73.2229 174.6300 78 V 4.5355 8.1903 125.6380 61.4291 34.1104 174.1913 79 Y 5.2639 9.6466 125.3019 56.5107 41.9510 174.9788 80 L 4.3651 8.4416 122.9012 54.1837 44.8303 173.9580 81 Q 4.5119 8.9505 129.5921 55.3140 30.8110 174.2414 82 M 4.6230 9.1758 126.6105 53.7942 34.2190 174.8825 83 N 4.8422 9.2740 121.7940 51.3921 40.9570 175.9002 84 S 3.6289 8.3119 113.2224 59.8303 60.2972 172.2997 85 L 4.3946 8.0122 121.9075 54.7454 42.7371 177.7612 86 Q 4.7447 10.5363 125.2775 54.8676 30.6763 177.7979 87 R 4.3492 8.4754 119.2004 59.5948 29.5232 179.2031 88 E 4.2054 8.1421 112.1556 57.9678 29.7107 179.7026 89 D 4.8719 7.8944 115.9465 55.7959 41.3861 177.0609 90 T 4.2330 8.0402 117.7702 62.6516 69.0783 174.7265 91 G 3.9455 8.3212 112.9501 45.1875 0.0000 170.0670 92 M 4.7591 8.2221 120.7882 54.5430 33.6023 174.8551 93 Y 5.1121 9.1603 125.1152 56.8972 40.1743 174.4644 94 Y 6.0819 10.3323 122.3228 55.4144 42.1605 172.1170 95 C 4.5586 8.8335 116.9390 53.6427 42.6724 172.0830 96 Q 4.6917 8.8937 123.6941 53.8894 31.7787 173.9214 97 I 4.8804 8.3291 118.8960 59.0863 41.0535 174.1827 98 Q 5.5537 8.6808 123.5322 53.7059 31.7150 173.8668 99 C 4.8047 9.1353 121.5208 54.9672 42.4382 173.4989 100 G 4.7440 8.3323 111.4526 42.6939 0.0000 171.2159 101 V 3.5320 8.5268 123.9355 65.7691 32.3604 177.1866 *103 S 4.2277 7.8223 115.4110 58.6992 63.3523 175.2045 104 I 4.6671 7.4806 117.6208 60.4808 33.1494 176.9528 105 R 4.3215 7.7747 124.6687 55.6759 31.8634 175.5136 106 E 5.1450 8.3754 123.3229 54.7393 32.6229 174.1421 107 Y 5.0092 8.9234 122.7575 56.2881 42.8241 174.1509 108 W 5.3598 8.8681 119.9490 55.1392 33.3776 176.5811 109 G 4.5542 8.6999 109.7252 45.6266 0.0000 173.1174 110 Q 4.5943 9.1649 120.6536 55.4432 29.7683 177.4204 111 G 4.2516 9.7836 100.7644 46.3868 0.0000 172.6350 112 T 4.6148 7.6618 112.1606 60.5300 71.1733 172.1262 113 Q 4.7230 8.7908 130.0601 55.5818 30.9084 174.1956 114 V 4.8316 9.1677 126.6486 61.5075 34.1947 174.0760 115 T 4.8619 8.7553 124.7007 61.7121 71.6804 173.4649 116 V 4.7547 8.7100 125.8274 60.6061 34.4164 175.4443 117 S 4.4061 8.3896 121.6068 58.6019 62.9611 174.2524 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 D 8.36 4.45 0.00 2.67 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 2 V 7.73 3.64 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 0.12 0.00 0.00 0.55 0.00 0.00 3 Q 9.89 4.87 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 4 L 8.44 5.71 0.00 1.44 1.50 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.33 4.23 2.07 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 1.02 0.00 0.00 0.93 0.00 0.00 6 E 8.85 5.23 0.00 2.03 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 0.00 2.36 2.19 0.00 7 S 8.65 4.77 0.00 3.86 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 8 G 8.81 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 9 G 7.42 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 0.00 0.00 0.00 10 G 7.51 3.68 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 0.00 0.00 0.00 11 S 8.16 4.87 0.00 3.83 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 *12 V 7.83 4.12 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 0.74 0.00 0.00 0.93 0.00 0.00 13 Q 8.31 4.34 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.97 0.00 0.00 0.00 0.00 0.00 2.45 1.88 0.00 14 A 8.47 4.11 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 15 G 8.83 4.03 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 0.00 0.00 0.00 16 G 8.53 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 0.00 0.00 0.00 17 S 8.16 5.45 0.00 3.81 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 18 L 8.20 4.44 0.00 1.40 1.30 0.81 0.84 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 19 R 8.24 4.68 0.00 1.76 1.71 0.00 3.09 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 20 L 8.70 4.71 0.00 0.60 1.45 0.38 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.09 4.93 0.00 3.79 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 22 C 9.17 5.37 0.00 2.49 2.88 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 0.00 0.00 0.00 23 A 8.46 4.50 1.20 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 0.00 0.00 24 V 8.37 4.70 2.15 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 0.69 0.00 0.00 0.86 0.00 0.00 25 S 9.32 4.72 0.00 3.82 3.88 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 0.00 0.00 0.00 26 G 8.97 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 27 S 8.33 4.20 0.00 3.67 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 28 T 8.41 3.98 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 1.26 0.00 0.00 *29 Y 8.86 3.64 0.00 2.78 2.46 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 30 S 7.33 4.61 0.00 3.83 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 31 P 0.00 4.37 0.00 2.16 2.05 0.00 3.69 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 1.98 1.99 0.00 32 C 8.41 5.28 0.00 2.78 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 33 T 8.34 4.70 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 1.27 0.00 0.00 34 T 8.67 4.89 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 0.94 0.00 0.00 35 G 9.32 4.56 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 0.00 0.00 0.00 36 W 8.84 5.51 0.00 3.26 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 37 V 9.64 5.14 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 1.08 0.00 0.00 1.45 0.00 0.00 38 R 8.35 5.47 0.00 0.86 0.66 0.00 2.88 0.00 0.00 2.95 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.21 0.00 39 Q 8.40 5.05 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 40 A 8.62 4.65 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 41 P 0.00 4.23 0.00 2.06 2.06 0.00 3.75 0.00 0.00 3.68 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 42 G 8.98 4.08 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 0.00 0.00 0.00 43 K 7.81 4.46 0.00 1.92 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.54 7.81 44 G 8.00 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 0.00 0.00 0.00 0.00 45 L 8.52 5.15 0.00 1.65 1.64 0.77 0.73 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 46 E 8.66 4.84 0.00 2.08 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 2.20 2.28 0.00 47 W 9.16 4.00 0.00 3.39 3.33 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 48 V 8.88 3.71 2.30 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 1.13 0.00 0.00 1.11 0.00 0.00 49 S 7.34 4.56 0.00 3.85 3.54 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 50 S 8.41 5.22 0.00 4.24 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 51 I 8.45 4.91 1.91 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 1.31 1.66 0.96 0.00 0.00 52 S 9.02 4.22 0.00 4.02 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 53 S 8.55 4.90 0.00 4.08 4.61 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 54 P 0.00 4.12 0.00 2.07 2.16 0.00 3.68 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 2.08 0.00 55 G 7.28 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 56 T 7.77 3.97 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 1.24 0.00 0.00 57 I 8.03 5.31 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.59 0.00 0.00 *58 Y 7.05 5.03 0.00 2.27 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 0.00 0.00 0.00 0.00 59 Y 8.52 5.02 0.00 2.91 2.77 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 60 Q 8.53 4.49 0.00 2.31 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 61 D 9.29 4.32 0.00 2.80 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 62 S 8.12 4.28 0.00 3.92 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 63 V 8.22 3.81 0.99 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 0.19 0.00 0.00 1.03 0.00 0.00 64 K 7.19 3.57 0.00 1.72 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.46 7.81 65 G 8.69 3.92 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 0.00 0.00 0.00 66 R 8.19 4.50 0.00 1.48 2.07 0.00 3.19 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 67 F 7.98 5.67 0.00 2.80 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 68 T 8.97 4.72 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 1.28 0.00 0.00 69 I 9.20 4.83 1.82 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.72 0.00 0.00 70 S 8.73 5.05 0.00 3.92 3.96 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 71 R 8.55 5.01 0.00 1.86 1.84 0.00 3.18 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 72 D 9.31 4.75 0.00 2.93 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 73 N 9.10 4.20 0.00 2.76 2.90 0.00 0.00 7.12 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 74 A 8.33 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 75 K 8.55 4.07 0.00 1.83 1.91 0.00 2.12 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.63 7.81 76 N 8.29 4.14 0.00 2.94 2.86 0.00 0.00 6.79 8.08 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 77 T 7.36 5.00 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 0.64 0.00 0.00 78 V 8.19 4.54 2.07 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 1.32 0.00 0.00 0.89 0.00 0.00 79 Y 9.65 5.26 0.00 2.83 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 80 L 8.44 4.37 0.00 0.27 0.18 0.63 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.95 4.51 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.50 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 82 M 9.18 4.62 0.00 1.48 1.58 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.00 83 N 9.27 4.84 0.00 2.72 2.74 0.00 0.00 7.29 7.11 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 84 S 8.31 3.63 0.00 3.92 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 85 L 8.01 4.39 0.00 1.76 1.64 0.87 1.17 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 86 Q 10.54 4.74 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 87 R 8.48 4.35 0.00 1.73 1.94 0.00 3.32 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.00 88 E 8.14 4.21 0.00 1.98 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 2.23 1.91 0.00 89 D 7.89 4.87 0.00 2.94 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 90 T 8.04 4.23 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 1.31 0.00 0.00 91 G 8.32 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 92 M 8.22 4.76 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.20 0.00 93 Y 9.16 5.11 0.00 3.02 3.18 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 0.00 94 Y 10.33 6.08 0.00 3.17 3.16 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 95 C 8.83 4.56 0.00 1.87 1.18 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 0.00 96 Q 8.89 4.69 0.00 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 97 I 8.33 4.88 1.76 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 1.23 0.64 0.72 0.00 0.00 98 Q 8.68 5.55 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.06 0.00 99 C 9.14 4.80 0.00 2.83 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 0.00 100 G 8.33 4.74 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 0.00 101 V 8.53 3.53 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 0.79 0.00 0.00 0.93 0.00 0.00 *103 S 7.82 4.23 0.00 3.93 3.96 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 0.00 104 I 7.48 4.67 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 1.41 0.80 0.91 0.00 0.00 105 R 7.77 4.32 0.00 2.22 2.13 0.00 3.15 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.19 0.00 106 E 8.38 5.14 0.00 1.89 1.73 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 2.24 2.29 0.00 107 Y 8.92 5.01 0.00 2.82 2.77 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 0.00 108 W 8.87 5.36 0.00 3.06 3.10 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 0.00 109 G 8.70 4.55 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 0.00 0.00 0.00 110 Q 9.16 4.59 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 111 G 9.78 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 0.00 0.00 0.00 0.00 112 T 7.66 4.61 4.31 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 1.42 0.00 0.00 113 Q 8.79 4.72 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 114 V 9.17 4.83 2.45 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 0.89 0.00 0.00 0.65 0.00 0.00 115 T 8.76 4.86 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 1.23 0.00 0.00 116 V 8.71 4.75 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 1.05 0.00 0.00 1.01 0.00 0.00 117 S 8.39 4.41 0.00 3.98 3.97 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 * Residues marked with a * may have inaccurate shift predictions.