NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6940 8.4093 118.2183 51.9998 38.6395 173.3764 4 E 5.3625 8.0085 124.3311 55.8733 30.7464 175.1484 5 D 4.5625 9.2940 125.8927 53.6273 41.5627 177.5018 6 L 3.9738 8.4119 125.2133 55.9062 42.1490 177.4439 7 F 5.1291 7.6923 116.3177 55.5196 41.7230 175.2866 8 I 3.8980 8.7532 127.0970 63.4541 37.2538 175.7348 9 C 4.6637 7.3313 112.6118 57.6904 31.0771 172.4824 10 I 4.2348 8.2427 121.2246 61.1201 36.9345 175.7884 11 D 4.7891 9.5156 127.1643 57.2351 41.8359 175.4787 12 H 5.3406 7.8524 109.8510 54.9349 31.6171 172.6789 13 V 4.5279 8.6467 119.4352 61.0796 33.6608 174.3880 14 A 4.8705 8.9006 131.0338 51.6962 19.9975 175.2935 15 Y 5.0123 9.3648 123.0895 55.7230 41.8618 174.0210 16 A 4.4603 8.2719 129.2639 50.9448 21.1669 175.5763 17 C 4.7568 7.8391 114.9982 56.4634 32.8375 173.1561 18 P 4.2092 0.0000 0.0000 64.7631 31.4935 176.2505 19 D 4.5331 7.7561 116.6602 51.3629 43.3988 175.1192 20 A 3.9931 8.4374 129.9963 55.3278 18.5574 178.6776 21 D 4.3683 8.1236 116.8669 57.1513 40.9228 178.5023 22 E 3.9413 8.7891 120.1487 59.1014 29.5963 178.5223 23 A 4.1271 8.0587 120.9203 55.2300 18.3379 179.5687 24 S 4.0331 8.0605 111.4149 61.5343 62.5427 176.2988 25 K 3.9194 8.0273 121.1962 59.7232 31.8055 178.4833 26 Y 3.9622 8.2081 119.4396 61.0660 38.7615 177.7221 27 Y 3.7805 8.5226 117.7208 61.1523 37.8591 178.8982 28 Q 4.7511 8.4312 120.3412 58.8399 28.7162 178.7346 29 E 3.9207 8.3323 118.5885 59.3507 29.5722 179.0622 30 T 3.8589 7.7394 114.6520 65.3629 68.9422 176.0237 31 F 4.7414 7.3920 116.2330 57.1478 39.8039 176.7355 32 G 3.9060 7.9877 108.1182 45.8092 0.0000 173.6471 33 W 4.7432 8.3235 120.2820 56.1906 31.0357 174.8018 34 H 5.2445 9.5892 118.0235 54.0598 31.5493 173.5167 35 E 4.3932 8.9764 123.3639 55.8301 29.4408 175.8998 36 L 4.5287 8.6261 126.7376 55.8084 43.3015 176.2460 37 H 4.6704 7.5750 115.3515 55.0332 32.4943 171.9709 38 R 4.9575 8.1995 125.4908 54.6407 33.0156 173.6118 39 E 4.7025 9.3225 126.8219 54.2833 33.5705 173.4817 40 E 4.7588 8.8419 126.4371 54.5909 32.1087 175.0710 41 N 4.7126 9.2171 127.4235 51.2063 38.6383 173.1629 42 P 4.2104 0.0000 0.0000 65.2380 31.8012 177.7512 43 E 4.0121 8.2251 116.7082 58.8268 29.6035 177.2559 44 Q 4.1420 8.7187 118.8545 55.8969 29.6449 175.6589 45 G 3.8797 8.7358 106.4561 46.2950 0.0000 172.8181 46 V 5.0110 7.5406 117.4446 60.6191 35.5452 173.9396 47 V 4.9087 8.4085 125.3922 59.9406 33.7022 174.7689 48 E 4.9286 9.4154 123.3587 54.9693 33.5251 174.9580 49 I 5.5045 8.5863 124.3684 58.7975 41.4389 174.3203 *52 A 4.2375 8.4623 124.2594 52.1461 19.3560 176.1037 53 P 2.9700 0.0000 0.0000 63.4926 31.5915 175.9127 54 A 4.6233 7.0830 120.2421 50.0048 22.3037 175.8092 55 A 3.9098 8.3378 122.1840 53.9587 18.7124 178.5634 56 K 4.5762 7.5157 114.1546 54.1789 34.8864 176.1076 57 L 4.0805 8.4342 123.9105 54.8935 42.2212 176.7647 58 T 4.4143 7.9698 112.1919 59.6647 70.9684 174.4253 59 E 3.8438 8.5404 122.7173 59.1818 29.4770 176.6315 60 H 4.7452 7.8647 113.8934 54.0159 30.7143 174.0143 *62 T 4.3947 8.2633 120.2415 63.6558 69.6852 173.2658 63 Q 4.8638 8.8202 124.0747 54.4406 32.4115 174.3230 64 V 4.8417 8.6592 120.0415 61.5012 33.3866 174.3622 65 Q 4.6461 8.8918 130.0633 54.8546 30.5464 175.3620 66 V 4.8434 8.9593 127.3264 60.9728 34.2781 174.1151 *68 A 5.0204 8.4802 122.5778 51.0102 19.9608 174.3834 69 P 4.8844 0.0000 0.0000 62.9369 32.0288 176.0954 70 L 4.8013 8.5846 120.8543 54.9253 43.5355 175.9539 71 N 4.7321 7.6700 114.3687 51.7924 39.4464 175.1331 72 D 4.4673 8.6562 118.8823 56.7432 41.0018 177.4703 73 E 4.2618 8.1899 117.7893 57.3490 30.3361 177.5910 74 S 4.3608 7.7545 114.9512 58.3509 64.9048 175.3598 75 T 3.8978 8.3310 119.3745 66.8032 68.2621 177.0949 76 V 3.5661 7.7806 119.4798 65.8393 31.4999 177.7370 77 A 4.0172 7.8429 120.2806 55.2885 18.3132 179.7568 78 K 3.9421 8.0030 116.6280 59.2290 31.9286 179.4805 79 W 4.0579 8.4596 128.7565 60.5334 30.7016 177.9798 80 L 4.1012 8.8270 119.1919 57.9273 41.0758 179.4493 81 A 4.0124 8.4342 121.0019 55.1099 18.1019 179.8569 82 K 3.9348 7.8807 115.8281 58.6841 32.2214 178.2365 83 H 4.4781 7.3759 115.5820 54.2159 29.9820 174.2116 84 N 4.2610 8.8737 116.0321 54.4987 36.3279 175.4433 85 G 3.7888 8.6004 103.3016 45.5675 0.0000 173.5468 86 R 4.0609 7.7289 120.1532 55.2139 29.4096 175.8962 87 A 4.4005 8.5692 129.0905 52.1344 19.4404 176.8786 88 G 4.3710 7.9215 106.1230 46.2775 0.0000 172.0498 89 L 4.5828 9.0756 120.3692 55.7528 41.6159 176.3510 90 H 4.2844 9.2042 124.1757 56.9125 31.0814 173.4787 91 H 4.3910 7.6875 117.0809 55.2794 35.6230 173.6988 *93 A 4.3576 8.5124 118.1031 51.3568 20.3167 175.0569 94 W 5.3118 9.2140 122.8946 54.7658 31.8475 175.5366 95 R 4.8150 9.1848 126.0856 56.5255 30.7246 175.6113 96 V 4.7664 8.7109 118.6999 59.7531 34.9596 175.5981 97 D 4.3416 8.8613 122.6781 56.6391 41.4937 176.4063 98 D 4.8421 7.6801 119.7799 51.3598 43.0897 175.2589 99 I 3.6753 9.2481 122.8206 64.1117 37.3977 177.7693 100 D 4.3185 8.1263 119.7570 56.9671 40.7874 178.2473 101 A 3.9478 9.1178 121.7873 55.2942 18.4014 179.7337 102 V 3.4415 7.9611 116.6994 66.3375 31.6115 178.2279 103 S 4.1523 8.6605 114.9737 61.6622 62.6978 176.6862 104 A 4.0108 8.2525 123.4272 55.4321 18.1453 179.7954 105 T 4.6618 7.8355 115.5330 66.4174 68.4989 176.8471 106 L 4.0672 8.3564 121.2398 57.8923 41.6448 179.7466 107 R 4.3792 7.9942 119.2717 58.8508 29.9904 178.9472 108 E 4.0126 8.1753 118.1870 59.4861 29.3005 179.3977 109 R 4.1635 7.7802 116.3030 57.4643 30.0928 177.6595 110 G 3.9960 7.8986 107.2147 45.1498 0.0000 173.3287 111 V 4.0788 8.2725 120.1931 61.5849 32.4773 174.8275 112 Q 4.7231 8.1995 125.8996 54.1941 30.5252 175.3074 113 L 4.7536 8.0649 121.7488 52.8770 43.7871 176.5897 114 L 3.8000 8.8084 123.7287 57.2618 42.1647 177.0662 115 Y 5.0555 7.6042 114.2892 56.0027 40.7469 175.6610 116 D 4.5883 8.9076 122.7053 56.5199 41.3707 176.8706 117 E 4.7722 7.8431 116.5484 53.3803 32.9339 173.6969 118 P 4.8086 0.0000 0.0000 62.9538 32.3931 175.3015 119 K 4.6281 8.6888 120.5951 54.4525 36.6332 174.8085 120 L 4.4033 8.4733 123.1014 55.2759 42.2404 176.3580 121 G 4.1696 8.9619 119.5462 44.3913 0.0000 172.5060 122 T 4.3429 7.8034 112.1469 63.4406 69.2528 174.1434 123 G 3.7867 9.0151 115.6020 44.7900 0.0000 173.4412 124 G 4.0155 8.3597 114.7222 45.5793 0.0000 173.0511 125 N 5.1756 7.6792 117.7679 52.3809 40.0143 174.2952 126 R 4.8124 8.4835 122.4396 55.3446 32.1014 175.4913 127 I 5.3196 8.8058 116.1931 58.7626 41.9842 173.0497 128 N 5.3506 7.9317 119.4274 53.1667 42.3837 172.0125 129 F 5.1372 8.1351 121.2573 55.6482 43.4510 174.2549 *131 H 4.7023 8.7481 120.4554 55.9113 30.0956 172.1053 132 P 4.1887 0.0000 0.0000 65.8276 31.6152 178.6206 133 K 3.8822 8.2394 118.4096 59.5851 32.1918 178.7578 134 S 4.3136 7.9734 114.0139 61.1255 63.0786 175.2476 135 G 4.3113 8.2779 107.4860 43.8602 0.0000 173.7486 136 K 3.8763 9.3265 118.2242 57.5278 29.9145 176.5672 137 G 4.0264 8.6983 106.8045 44.9222 0.0000 174.1577 138 V 4.3083 7.4111 119.6288 60.5300 33.5965 174.2005 139 L 4.4347 8.4648 128.8505 54.6073 42.4895 175.7451 140 I 4.0922 8.1559 126.8382 59.2813 39.3670 173.9982 141 E 4.2655 8.2163 126.0966 54.6138 32.0215 174.1822 142 L 5.2091 8.3026 125.6376 53.4100 44.4287 175.4951 143 T 5.0067 8.6884 117.0430 60.6038 71.4125 172.0101 144 Q 5.0449 8.8164 129.2114 54.4596 32.0568 174.1309 145 Y 4.8564 9.1287 123.7550 56.0843 39.0042 173.6561 146 P 4.2569 0.0000 0.0000 63.9304 32.1643 176.1576 147 K 4.1291 8.6510 121.4191 57.1501 33.1496 174.7813 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 3 N 8.41 4.69 0.00 2.85 2.91 0.00 0.00 5.97 6.77 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 4 E 8.01 5.36 0.00 2.22 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 0.00 2.03 2.37 0.00 5 D 9.29 4.56 0.00 2.66 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 6 L 8.41 3.97 0.00 1.00 0.91 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.69 5.13 0.00 2.87 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 8 I 8.75 3.90 1.97 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 1.39 0.52 0.97 0.00 0.00 9 C 7.33 4.66 0.00 3.09 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 10 I 8.24 4.23 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 1.11 0.00 0.00 11 D 9.52 4.79 0.00 3.05 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 12 H 7.85 5.34 0.00 3.33 3.31 0.00 5.53 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 13 V 8.65 4.53 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 1.05 0.00 0.00 1.02 0.00 0.00 14 A 8.90 4.87 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 15 Y 9.36 5.01 0.00 2.91 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 16 A 8.27 4.46 0.70 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 17 C 7.84 4.76 0.00 2.83 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 0.00 0.00 0.00 0.00 18 P 0.00 4.21 0.00 2.19 2.21 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 19 D 7.76 4.53 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 20 A 8.44 3.99 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 21 D 8.12 4.37 0.00 2.71 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 22 E 8.79 3.94 0.00 2.15 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 0.00 2.32 2.34 0.00 23 A 8.06 4.13 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 24 S 8.06 4.03 0.00 3.94 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 25 K 8.03 3.92 0.00 2.06 1.90 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.78 7.81 26 Y 8.21 3.96 0.00 3.15 3.24 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 27 Y 8.52 3.78 0.00 3.31 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 28 Q 8.43 4.75 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 29 E 8.33 3.92 0.00 1.91 1.91 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 2.32 2.33 0.00 30 T 7.74 3.86 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 0.59 0.00 0.00 31 F 7.39 4.74 0.00 2.90 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 32 G 7.99 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 33 W 8.32 4.74 0.00 3.64 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.59 5.24 0.00 3.00 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.98 4.39 0.00 2.06 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 2.31 2.38 0.00 36 L 8.63 4.53 0.00 1.75 1.76 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 H 7.58 4.67 0.00 3.19 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.20 4.96 0.00 1.93 1.68 0.00 3.22 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 39 E 9.32 4.70 0.00 2.00 1.71 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 2.21 2.25 0.00 40 E 8.84 4.76 0.00 1.96 1.78 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 2.16 2.25 0.00 41 N 9.22 4.71 0.00 2.75 2.76 0.00 0.00 6.75 7.64 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 42 P 0.00 4.21 0.00 2.07 2.11 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 43 E 8.23 4.01 0.00 1.92 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 0.00 2.29 2.30 0.00 44 Q 8.72 4.14 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 45 G 8.74 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 0.00 0.00 0.00 46 V 7.54 5.01 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 1.01 0.00 0.00 0.96 0.00 0.00 47 V 8.41 4.91 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 0.82 0.00 0.00 0.94 0.00 0.00 48 E 9.42 4.93 0.00 1.85 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 2.18 2.23 0.00 49 I 8.59 5.50 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.25 0.99 0.00 0.00 *52 A 8.46 4.24 1.27 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 0.00 0.00 53 P 0.00 2.97 0.00 1.64 0.80 0.00 3.25 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 54 A 7.08 4.62 1.08 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 55 A 8.34 3.91 1.13 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 0.00 0.00 56 K 7.52 4.58 0.00 1.65 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.36 7.81 57 L 8.43 4.08 0.00 1.58 1.54 0.90 0.88 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 58 T 7.97 4.41 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 1.17 0.00 0.00 59 E 8.54 3.84 0.00 1.88 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 0.00 2.19 2.25 0.00 60 H 7.86 4.75 0.00 3.10 3.20 0.00 5.98 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 8.26 4.39 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 1.36 0.00 0.00 63 Q 8.82 4.86 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 64 V 8.66 4.84 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 0.63 0.00 0.00 1.09 0.00 0.00 65 Q 8.89 4.65 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 66 V 8.96 4.84 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 1.27 0.00 0.00 0.77 0.00 0.00 *68 A 8.48 5.02 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 69 P 0.00 4.88 0.00 2.09 2.06 0.00 3.77 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 1.97 2.00 0.00 70 L 8.58 4.80 0.00 1.54 1.71 0.93 1.22 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 71 N 7.67 4.73 0.00 2.89 2.86 0.00 0.00 6.27 8.07 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 72 D 8.66 4.47 0.00 2.69 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 73 E 8.19 4.26 0.00 2.11 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 0.00 2.31 2.38 0.00 74 S 7.75 4.36 0.00 3.98 4.11 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 75 T 8.33 3.90 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 1.21 0.00 0.00 76 V 7.78 3.57 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 0.91 0.00 0.00 0.81 0.00 0.00 77 A 7.84 4.02 1.44 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 0.00 0.00 78 K 8.00 3.94 0.00 2.07 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.64 7.81 79 W 8.46 4.06 0.00 3.55 3.41 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 80 L 8.83 4.10 0.00 1.96 1.78 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.43 4.01 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 82 K 7.88 3.93 0.00 1.53 1.60 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.53 7.81 83 H 7.38 4.48 0.00 2.61 2.98 0.00 5.96 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.87 4.26 0.00 2.75 2.79 0.00 0.00 6.90 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 85 G 8.60 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 86 R 7.73 4.06 0.00 1.83 1.96 0.00 3.28 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 87 A 8.57 4.40 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 88 G 7.92 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 0.00 0.00 0.00 0.00 89 L 9.08 4.58 0.00 1.64 1.69 0.98 1.02 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 90 H 9.20 4.28 0.00 2.43 3.01 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.69 4.39 0.00 3.49 3.03 0.00 5.54 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 *93 A 8.51 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.21 5.31 0.00 3.11 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 95 R 9.18 4.81 0.00 2.11 1.96 0.00 3.13 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 96 V 8.71 4.77 2.03 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 0.85 0.00 0.00 1.00 0.00 0.00 97 D 8.86 4.34 0.00 2.64 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 98 D 7.68 4.84 0.00 2.68 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 99 I 9.25 3.68 1.88 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 1.52 0.73 0.91 0.00 0.00 100 D 8.13 4.32 0.00 2.88 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 0.00 101 A 9.12 3.95 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 0.00 102 V 7.96 3.44 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 0.82 0.00 0.00 0.82 0.00 0.00 103 S 8.66 4.15 0.00 4.05 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 0.00 104 A 8.25 4.01 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 0.00 105 T 7.84 4.66 4.38 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 1.28 0.00 0.00 106 L 8.36 4.07 0.00 1.83 1.78 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.99 4.38 0.00 2.04 2.00 0.00 3.32 0.00 0.00 3.48 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 108 E 8.18 4.01 0.00 2.19 2.01 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 2.34 2.69 0.00 109 R 7.78 4.16 0.00 2.02 2.03 0.00 3.33 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.84 0.00 110 G 7.90 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 0.00 0.00 0.00 111 V 8.27 4.08 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 0.99 0.00 0.00 0.99 0.00 0.00 112 Q 8.20 4.72 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 113 L 8.06 4.75 0.00 1.62 1.76 0.95 1.05 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 0.00 114 L 8.81 3.80 0.00 1.39 0.84 0.41 0.15 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 0.00 115 Y 7.60 5.06 0.00 3.09 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 0.00 116 D 8.91 4.59 0.00 2.72 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 0.00 117 E 7.84 4.77 0.00 1.91 1.81 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 2.22 2.24 0.00 118 P 0.00 4.81 0.00 1.93 2.00 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 119 K 8.69 4.63 0.00 1.59 1.55 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.46 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 1.22 7.81 120 L 8.47 4.40 0.00 1.65 1.59 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.96 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 0.00 0.00 0.00 122 T 7.80 4.34 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 0.00 123 G 9.02 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 0.00 124 G 8.36 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 0.00 125 N 7.68 5.18 0.00 2.56 2.54 0.00 0.00 7.59 7.66 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 0.00 126 R 8.48 4.81 0.00 1.74 1.82 0.00 3.06 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 127 I 8.81 5.32 1.84 0.00 0.00 1.00 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 2.13 0.83 0.00 0.00 128 N 7.93 5.35 0.00 2.84 2.68 0.00 0.00 6.62 7.71 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 0.00 129 F 8.14 5.14 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *131 H 8.75 4.70 0.00 3.20 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.19 0.00 2.17 2.13 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 133 K 8.24 3.88 0.00 1.74 1.81 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.41 7.81 134 S 7.97 4.31 0.00 4.12 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 0.00 135 G 8.28 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 0.00 0.00 0.00 0.00 136 K 9.33 3.88 0.00 1.87 1.92 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 137 G 8.70 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 0.00 138 V 7.41 4.31 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 0.93 0.00 0.00 0.96 0.00 0.00 139 L 8.46 4.43 0.00 1.61 1.57 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.16 4.09 1.38 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.00 -0.60 0.00 0.00 141 E 8.22 4.27 0.00 1.31 1.56 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 1.95 1.54 0.00 142 L 8.30 5.21 0.00 1.70 1.55 0.99 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.69 5.01 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 1.30 0.00 0.00 144 Q 8.82 5.04 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.62 0.00 145 Y 9.13 4.86 0.00 2.87 2.89 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 0.00 146 P 0.00 4.26 0.00 2.10 2.09 0.00 4.12 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 147 K 8.65 4.13 0.00 1.89 1.80 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.