NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0602 8.0544 120.3959 62.1813 32.2292 177.7812 10 F 4.5952 9.1253 117.8603 54.5779 42.3520 171.4504 11 S 4.2176 8.2341 122.9156 57.8165 64.7073 174.2847 12 E 3.6548 8.7337 124.7028 59.7496 29.6844 177.4962 *13 E 4.3010 7.6760 115.5926 55.3770 31.7950 178.9260 14 K 3.9089 7.8566 120.0981 59.1904 31.9589 178.8091 15 E 3.9889 7.9168 119.4331 59.4136 29.5374 178.8553 16 A 4.0472 7.9866 120.6234 55.0093 18.3906 179.7012 17 L 3.9688 7.6185 117.2290 57.7447 41.8048 179.5368 18 V 3.2432 7.7580 118.1824 65.9121 31.3627 178.0225 19 L 4.1654 8.5544 119.2073 57.8496 41.2542 179.7742 20 K 4.1027 8.2736 118.9078 59.5781 32.5773 179.4357 21 S 4.3572 8.2516 115.2684 61.1248 63.3168 176.2526 22 W 4.6631 9.2272 132.5117 60.1136 30.2026 177.4214 23 A 3.8335 8.2332 120.2924 55.3644 17.6919 179.4165 24 I 3.8730 7.2562 117.7212 64.7268 37.4129 178.5324 25 M 4.1654 8.2097 119.7470 57.8356 31.6223 178.7576 26 K 3.1475 7.3293 118.0370 58.9826 32.3587 177.7797 27 K 4.2034 7.2727 116.7950 57.1389 32.4670 176.4280 28 D 4.8979 8.4122 119.4446 53.0755 42.1946 177.3992 29 S 4.4368 8.4391 115.4883 60.8378 62.7200 175.3622 30 A 3.9742 8.0313 123.9195 55.1865 18.2093 178.9576 31 N 4.2052 8.0147 114.8306 56.8520 39.0962 176.9693 32 L 3.8680 8.0270 120.5812 57.3402 41.6505 179.5424 33 G 3.4768 7.9255 106.1038 47.7033 0.0000 175.5239 34 L 4.0151 7.6579 122.7267 57.9540 42.1461 179.2338 35 R 3.8808 8.0927 118.0552 58.9493 29.8569 178.8564 36 F 4.4851 8.1968 122.0108 61.0243 39.4685 177.3195 37 F 3.0298 8.0719 116.8831 59.9964 38.5903 177.7251 38 L 4.1371 8.2575 119.0989 57.5976 41.4168 179.5169 39 K 3.9042 8.1461 119.5557 59.4392 32.1370 178.5705 40 I 3.5198 7.3710 120.2371 64.8153 36.4938 178.3159 41 F 4.8922 7.7738 117.5429 59.9503 38.4656 177.6641 42 E 4.0233 8.1237 118.9826 59.2575 29.5622 178.5442 43 I 4.0246 7.7513 118.3639 63.0184 38.6363 176.6385 44 A 4.7155 8.2539 124.0508 48.4318 18.8336 174.1719 45 P 4.4700 0.0000 0.0000 64.5164 31.5917 177.7946 46 S 4.1511 8.3428 112.3501 61.6823 62.5164 176.4034 47 A 4.1736 8.3807 124.0917 54.9561 18.1931 179.4655 48 R 3.3474 7.9848 116.9259 59.7190 29.8653 179.0414 49 Q 4.0601 7.6978 115.9789 58.6078 28.7317 178.0466 50 M 4.2985 7.8742 118.5940 55.6124 32.2971 175.9446 51 F 4.2428 7.4362 118.6894 54.7316 40.0593 174.6909 52 P 4.2458 0.0000 0.0000 65.4465 31.2981 178.4796 53 F 4.5146 7.5953 111.0866 58.5115 38.8602 176.9615 54 L 4.2055 7.1658 121.6499 57.4372 41.7063 178.6283 55 R 3.9454 7.6668 116.5746 58.9150 29.9625 177.7487 56 D 4.8669 7.5622 115.4393 53.0614 41.3995 175.8474 57 S 4.7355 7.4567 113.2097 56.7256 65.5992 173.2739 58 D 4.8931 8.4267 121.4015 52.7270 40.1566 176.6816 59 V 3.7950 7.3910 113.5749 60.5671 32.3011 174.1799 60 P 4.2378 0.0000 0.0000 63.0979 32.2016 177.0212 61 L 3.9747 8.9385 123.0733 58.0832 41.5994 179.5379 62 E 4.0621 8.2837 113.9898 58.8926 29.3483 177.6512 63 T 4.2309 7.6416 114.7892 64.2679 70.2057 174.5009 64 N 4.2483 7.9324 119.6060 53.5928 39.5222 173.5269 65 P 4.2578 0.0000 0.0000 65.4717 31.4632 178.8839 66 K 3.7307 7.9639 117.0770 58.9390 31.9422 178.8474 67 L 3.7387 8.2975 120.8710 58.1184 42.1506 179.1460 68 K 3.8429 7.7393 117.7688 59.7958 32.0972 179.5302 69 T 3.7887 7.4948 115.6482 66.7514 68.3963 176.3312 70 H 3.8775 8.0259 120.0983 59.0903 29.7529 177.0330 71 A 2.9017 8.0835 122.7405 54.9276 18.1295 179.8502 72 V 3.6860 7.5990 116.3271 65.9843 31.5359 177.9158 73 S 4.1115 7.8896 112.6862 61.6902 62.1384 176.5637 74 V 3.7149 7.9276 120.6701 65.9340 31.2577 177.7484 75 F 4.4000 8.9773 120.9090 61.3672 39.2581 177.2812 76 V 3.4622 8.5306 118.3525 66.1767 31.3995 177.5136 77 M 3.9775 8.2784 118.0626 59.0095 32.0433 178.3701 78 T 3.8252 8.0587 115.7682 66.9543 68.5942 176.6151 79 C 4.0721 7.6689 118.7315 62.5369 27.7320 175.9940 80 E 3.6092 7.9241 120.4214 59.0541 28.7628 179.2251 81 A 3.9208 7.6727 119.6282 55.0602 18.8755 179.1562 82 A 3.6220 7.7604 118.9790 55.1832 18.1900 179.7580 83 A 3.9639 7.8217 117.8656 54.1792 18.6439 178.7045 84 Q 4.4237 7.4870 114.7895 55.5589 29.5054 177.1929 85 L 3.9048 7.3211 122.5270 58.1486 41.8683 178.6437 86 R 3.8906 7.9018 116.7845 59.4158 30.2555 177.0862 87 K 3.8997 8.1162 117.5772 59.3355 32.1273 177.2073 88 A 4.1648 8.2691 119.7246 52.1951 19.0794 178.1514 89 G 3.8912 8.6103 103.3985 45.2546 0.0000 173.1125 90 K 4.1634 7.1996 116.0069 55.6998 34.3852 174.5437 91 I 3.7131 8.3528 121.2994 61.5157 37.2925 175.9249 92 T 4.6811 8.2425 114.9938 59.6834 71.2702 173.6848 93 V 4.4567 8.0763 115.8793 59.6808 35.2035 175.3301 94 R 4.4776 8.3109 121.7935 56.0369 31.6619 177.6566 95 E 4.0329 9.7938 118.9051 57.1326 28.0073 173.6917 96 T 4.5703 7.3302 110.7875 60.3116 70.4961 172.4700 97 T 4.7876 8.0778 109.9832 59.2358 73.2159 174.3904 98 L 4.0091 8.3762 121.4445 57.7452 41.5664 179.7251 99 K 3.9564 7.9850 119.1954 59.6063 32.1923 178.9713 100 R 3.9629 7.9922 118.2471 59.1045 29.9645 179.0155 101 L 4.2062 8.1606 118.9360 57.7821 41.6939 179.7265 102 G 3.8126 8.5912 106.1335 47.8264 0.0000 175.7189 103 G 3.7650 8.3053 108.7249 47.7943 0.0000 175.7216 104 T 4.0002 8.1648 118.4049 66.8836 68.5403 176.5279 105 H 4.2132 8.5405 117.9867 58.6477 28.8116 177.6877 106 L 4.0094 8.2411 122.2551 58.2390 41.7508 179.2445 107 K 3.9614 7.9582 117.1111 59.2714 32.0584 178.0318 108 Y 4.2510 8.0284 114.0800 57.1257 38.0948 175.7244 109 G 3.8146 7.8131 107.5902 46.3338 0.0000 174.2360 110 V 3.4313 7.9947 120.0522 62.2863 32.0240 175.7622 111 A 4.8876 8.5675 128.0538 49.9202 23.0369 176.3953 112 D 4.7288 8.8394 120.3249 58.0447 40.8029 179.7854 113 G 3.6989 8.1557 105.3365 45.9233 0.0000 175.2246 114 H 4.1675 7.9950 117.8757 58.8796 28.8275 177.7312 115 F 4.5578 7.9445 118.9176 60.7306 38.2138 177.7132 116 E 4.1520 8.3716 118.4274 59.2317 29.2956 179.3774 117 V 3.6853 7.9472 118.3094 66.4069 31.5509 178.2403 118 T 3.8806 8.0742 115.4559 66.4836 68.3039 176.3994 119 R 2.8166 8.1802 120.7053 59.2947 30.0066 178.3190 120 F 4.0955 8.2187 119.8708 61.2165 39.3077 176.9403 121 A 3.9444 8.3752 120.5729 54.8409 18.0761 179.3055 122 L 3.3018 8.2490 119.2109 58.2944 42.1341 179.3896 123 L 3.9105 7.7283 118.6961 57.6193 41.4964 179.3862 124 E 3.6093 7.8878 118.8123 59.2458 29.1571 179.4490 125 T 3.6858 7.8289 115.9937 66.5248 68.3754 176.7879 126 I 3.4482 7.6009 121.9160 64.0839 36.8583 178.1672 127 K 2.4800 6.9601 118.9458 59.1998 31.7788 178.3939 128 E 3.8619 7.5477 116.7698 58.9468 29.3341 178.8029 129 A 4.0589 7.4948 120.3233 53.2281 18.8815 177.6193 130 L 4.5706 6.7163 116.0432 52.3790 43.5640 174.8241 131 P 4.2373 0.0000 0.0000 62.9571 31.9242 177.3668 132 A 4.0870 8.8581 124.9556 55.4948 18.5253 179.2847 133 D 4.4341 8.3353 114.7442 57.1648 40.8767 177.2483 134 M 4.4932 8.0274 113.4752 54.5139 32.0805 175.8116 135 W 4.4554 8.0030 130.9317 57.0792 31.6624 175.3526 136 G 3.7016 6.4622 112.0440 43.3917 0.0000 171.9051 137 P 4.0189 0.0000 0.0000 65.8583 30.8337 178.2513 138 E 3.8104 7.9033 117.7758 59.2298 29.4687 178.8199 139 M 3.9426 7.5985 117.5160 58.6479 32.4007 177.9047 140 R 3.8631 7.2159 118.8042 59.6090 30.1790 178.2401 141 N 4.3840 8.3460 116.1328 56.0339 38.4916 177.2775 142 A 3.9913 8.2490 122.4946 55.1597 18.4612 179.8201 143 W 4.2017 8.2793 117.5732 59.7926 29.0125 179.1286 144 G 3.7284 8.5467 105.8850 47.9020 0.0000 175.7258 145 E 4.1038 8.6194 120.7892 58.9425 29.5121 179.3000 146 A 3.5875 8.1549 121.0678 54.9877 18.3078 178.8654 147 Y 3.9807 8.3094 118.2464 61.1495 38.8323 178.0228 148 D 4.3773 8.6374 119.9771 57.7265 40.8814 179.0710 149 Q 3.8734 8.0575 118.2776 58.6748 28.6099 178.5651 150 L 3.7392 7.6943 121.2819 58.1482 42.1259 179.2616 151 V 3.0232 7.4905 118.1152 65.6731 31.3804 177.8052 152 A 3.8423 7.9919 120.4510 54.9333 17.9394 179.4061 153 A 3.8806 7.7966 118.5453 55.2733 18.6673 179.7095 154 I 3.7497 7.7451 118.2932 64.5805 37.2565 178.8853 155 K 3.9020 8.4058 119.3057 59.3990 31.8420 179.3319 156 Q 4.0417 7.9313 118.1328 58.3672 28.3577 177.4833 157 E 4.4447 7.9903 116.7987 56.4632 29.8938 176.4287 158 M 4.5672 7.7234 117.7401 54.8738 32.8588 175.5399 159 K 4.7342 7.2324 116.9488 53.2775 35.6087 174.2314 160 P 4.1760 0.0000 0.0000 63.8365 31.8559 176.6932 161 A 4.0859 8.5900 123.0534 52.8645 18.6276 177.1071 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 9 V 8.05 4.06 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 0.99 0.00 0.00 0.94 0.00 0.00 10 F 9.13 4.60 0.00 2.90 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 11 S 8.23 4.22 0.00 4.01 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 12 E 8.73 3.65 0.00 1.98 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 2.33 2.27 0.00 *13 E 7.68 4.30 0.00 1.63 1.64 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 2.06 2.33 0.00 14 K 7.86 3.91 0.00 0.85 0.74 0.00 1.11 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.11 7.81 15 E 7.92 3.99 0.00 2.10 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 2.32 2.38 0.00 16 A 7.99 4.05 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 17 L 7.62 3.97 0.00 1.78 1.72 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.76 3.24 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 0.48 0.00 0.00 0.32 0.00 0.00 19 L 8.55 4.17 0.00 1.77 1.78 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.27 4.10 0.00 2.07 2.12 0.00 1.35 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.79 1.55 7.81 21 S 8.25 4.36 0.00 4.44 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 0.00 22 W 9.23 4.66 0.00 3.73 3.37 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 23 A 8.23 3.83 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 24 I 7.26 3.87 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.92 0.00 0.00 25 M 8.21 4.17 0.00 2.41 2.46 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.62 0.00 26 K 7.33 3.15 0.00 0.79 0.74 0.00 1.05 0.00 0.00 1.37 0.00 0.00 2.37 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.93 1.00 7.81 27 K 7.27 4.20 0.00 1.83 1.83 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.22 7.81 28 D 8.41 4.90 0.00 2.63 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 29 S 8.44 4.44 0.00 4.53 4.46 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 A 8.03 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 31 N 8.01 4.21 0.00 2.81 3.21 0.00 0.00 7.11 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 32 L 8.03 3.87 0.00 1.26 1.04 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.93 3.48 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 0.00 34 L 7.66 4.02 0.00 1.71 1.78 0.93 1.45 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 35 R 8.09 3.88 0.00 1.92 1.90 0.00 3.09 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 36 F 8.20 4.49 0.00 2.84 3.28 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 37 F 8.07 3.03 0.00 3.04 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 38 L 8.26 4.14 0.00 1.83 1.76 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.15 3.90 0.00 1.89 1.99 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.54 7.81 40 I 7.37 3.52 1.00 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 1.09 -0.01 0.56 0.00 0.00 41 F 7.77 4.89 0.00 3.20 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 42 E 8.12 4.02 0.00 2.01 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 2.36 2.38 0.00 43 I 7.75 4.02 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.91 0.00 0.00 44 A 8.25 4.72 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 45 P 0.00 4.47 0.00 2.19 2.15 0.00 3.94 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 46 S 8.34 4.15 0.00 4.07 4.17 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 47 A 8.38 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.98 3.35 0.00 1.80 1.68 0.00 2.98 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.96 0.00 49 Q 7.70 4.06 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 50 M 7.87 4.30 0.00 1.57 1.88 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 51 F 7.44 4.24 0.00 2.53 1.67 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 P 0.00 4.25 0.00 2.26 2.17 0.00 3.52 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 53 F 7.60 4.51 0.00 3.11 3.22 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 54 L 7.17 4.21 0.00 1.71 1.51 0.36 0.96 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 55 R 7.67 3.95 0.00 1.89 1.99 0.00 3.12 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 56 D 7.56 4.87 0.00 2.77 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 57 S 7.46 4.74 0.00 3.82 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 58 D 8.43 4.89 0.00 2.74 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 59 V 7.39 3.80 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 0.69 0.00 0.00 0.94 0.00 0.00 60 P 0.00 4.24 0.00 2.17 2.23 0.00 3.62 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 2.12 2.14 0.00 61 L 8.94 3.97 0.00 1.74 1.82 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.28 4.06 0.00 2.07 2.12 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 2.29 2.30 0.00 63 T 7.64 4.23 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 1.21 0.00 0.00 64 N 7.93 4.25 0.00 2.81 2.88 0.00 0.00 7.07 7.06 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 65 P 0.00 4.26 0.00 2.15 2.04 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 66 K 7.96 3.73 0.00 1.73 1.20 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.41 7.81 67 L 8.30 3.74 0.00 1.96 1.88 0.97 1.12 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 68 K 7.74 3.84 0.00 1.95 1.80 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.60 7.81 69 T 7.49 3.79 4.19 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 1.13 0.00 0.00 70 H 8.03 3.88 0.00 2.73 3.02 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.08 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.60 3.69 2.11 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 1.14 0.00 0.00 1.08 0.00 0.00 73 S 7.89 4.11 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 74 V 7.93 3.71 2.42 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 1.43 0.00 0.00 0.97 0.00 0.00 75 F 8.98 4.40 0.00 3.57 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 76 V 8.53 3.46 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 1.14 0.00 0.00 1.28 0.00 0.00 77 M 8.28 3.98 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 78 T 8.06 3.83 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 1.32 0.00 0.00 79 C 7.67 4.07 0.00 1.38 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 80 E 7.92 3.61 0.00 1.93 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 2.33 2.36 0.00 81 A 7.67 3.92 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 82 A 7.76 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.82 3.96 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 84 Q 7.49 4.42 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 85 L 7.32 3.90 0.00 1.63 1.28 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.90 3.89 0.00 2.02 2.18 0.00 3.30 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 87 K 8.12 3.90 0.00 1.76 1.84 0.00 1.83 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 88 A 8.27 4.16 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 89 G 8.61 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 0.00 0.00 0.00 90 K 7.20 4.16 0.00 1.76 1.71 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 1.29 7.81 91 I 8.35 3.71 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.81 0.00 0.00 92 T 8.24 4.68 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 1.23 0.00 0.00 93 V 8.08 4.46 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 0.74 0.00 0.00 0.93 0.00 0.00 94 R 8.31 4.48 0.00 1.87 1.84 0.00 3.21 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 95 E 9.79 4.03 0.00 2.15 2.18 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 2.21 2.36 0.00 96 T 7.33 4.57 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 97 T 8.08 4.79 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 1.22 0.00 0.00 98 L 8.38 4.01 0.00 1.70 1.74 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.99 3.96 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 100 R 7.99 3.96 0.00 2.11 2.01 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 101 L 8.16 4.21 0.00 1.89 1.79 0.95 0.75 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 0.00 102 G 8.59 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.31 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 T 8.16 4.00 4.52 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 1.22 0.00 0.00 105 H 8.54 4.21 0.00 3.48 3.54 0.00 5.82 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 0.00 106 L 8.24 4.01 0.00 2.03 1.85 1.03 0.35 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 0.00 107 K 7.96 3.96 0.00 1.96 1.62 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.63 7.81 108 Y 8.03 4.25 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.43 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 0.10 0.00 0.00 0.82 0.00 0.00 111 A 8.57 4.89 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 0.00 112 D 8.84 4.73 0.00 2.78 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 0.00 113 G 8.16 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 0.00 0.00 0.00 114 H 8.00 4.17 0.00 3.13 3.17 0.00 5.83 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 0.00 115 F 7.94 4.56 0.00 3.38 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 0.00 116 E 8.37 4.15 0.00 2.27 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 2.43 2.64 0.00 117 V 7.95 3.69 2.11 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 1.05 0.00 0.00 0.93 0.00 0.00 118 T 8.07 3.88 4.53 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 1.41 0.00 0.00 119 R 8.18 2.82 0.00 1.83 2.11 0.00 3.28 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 0.00 120 F 8.22 4.10 0.00 3.20 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 0.00 121 A 8.38 3.94 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 0.00 122 L 8.25 3.30 0.00 1.33 1.50 0.14 0.65 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 0.00 123 L 7.73 3.91 0.00 1.59 1.78 1.00 0.86 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 0.00 124 E 7.89 3.61 0.00 1.64 1.70 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 1.47 1.62 0.00 125 T 7.83 3.69 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 1.05 0.00 0.00 126 I 7.60 3.45 1.58 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.11 0.68 0.00 0.00 127 K 6.96 2.48 0.00 0.79 1.21 0.00 1.44 0.00 0.00 1.33 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.70 0.21 7.81 128 E 7.55 3.86 0.00 1.91 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 2.20 2.10 0.00 129 A 7.49 4.06 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 0.00 130 L 6.72 4.57 0.00 1.69 1.73 1.27 1.49 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 0.00 131 P 0.00 4.24 0.00 2.23 2.03 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 132 A 8.86 4.09 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 0.00 133 D 8.34 4.43 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 8.03 4.49 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 135 W 8.00 4.46 0.00 3.35 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 0.00 136 G 6.46 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 0.00 0.00 0.00 137 P 0.00 4.02 0.00 2.19 2.25 0.00 3.56 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 2.00 0.00 138 E 7.90 3.81 0.00 1.89 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 2.31 2.24 0.00 139 M 7.60 3.94 0.00 1.62 2.06 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.95 0.00 140 R 7.22 3.86 0.00 1.39 1.81 0.00 3.20 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 141 N 8.35 4.38 0.00 2.85 2.83 0.00 0.00 6.93 7.26 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 0.00 142 A 8.25 3.99 1.22 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 0.00 0.00 143 W 8.28 4.20 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 0.00 144 G 8.55 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 0.00 145 E 8.62 4.10 0.00 2.46 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 0.00 2.40 2.52 0.00 146 A 8.15 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.31 3.98 0.00 3.18 3.28 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 0.00 148 D 8.64 4.38 0.00 2.92 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 0.00 149 Q 8.06 3.87 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 150 L 7.69 3.74 0.00 1.59 1.56 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.49 3.02 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.17 0.00 0.00 152 A 7.99 3.84 1.24 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 0.00 0.00 153 A 7.80 3.88 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 0.00 154 I 7.75 3.75 1.74 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 1.47 0.64 0.93 0.00 0.00 155 K 8.41 3.90 0.00 1.74 1.81 0.00 1.49 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.34 1.22 7.81 156 Q 7.93 4.04 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 157 E 7.99 4.44 0.00 2.07 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 2.28 2.50 0.00 158 M 7.72 4.57 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.79 0.00 159 K 7.23 4.73 0.00 1.82 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.64 7.81 160 P 0.00 4.18 0.00 2.04 1.99 0.00 3.83 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 2.03 2.10 0.00 161 A 8.59 4.09 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 * Residues marked with a * may have inaccurate shift predictions.