NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.5149 0.0000 0.0000 62.1783 34.4910 175.3042 12 L 4.9085 7.8371 121.7973 53.1599 44.9893 173.6323 13 M 5.1208 9.3505 126.5196 53.4337 36.6752 174.8477 14 V 4.7397 8.4013 120.9140 61.3063 34.5793 174.1295 15 K 4.8833 8.9774 128.3297 54.5866 34.7379 175.6968 16 V 4.7677 8.2096 123.5786 61.0426 34.7795 173.8271 17 L 4.9387 9.1831 127.6856 52.9825 45.0201 175.0357 18 D 5.1758 8.8688 123.0393 52.9350 42.0056 176.4684 19 A 4.3729 9.4583 128.6232 53.2563 18.4593 178.0739 20 V 4.0108 8.9981 115.4320 64.1537 32.2281 176.8415 21 R 4.4028 8.5155 115.4538 55.0751 31.1450 175.7176 22 G 3.9633 8.0952 105.8737 45.6800 0.0000 172.7860 23 S 4.7557 7.3619 111.1959 56.1640 66.6161 173.1558 24 P 4.7223 0.0000 0.0000 62.9966 32.0343 176.0516 25 A 4.3574 8.6138 124.0737 50.9617 18.7809 177.0623 26 I 4.0499 8.3954 122.3050 61.6526 38.7619 175.7879 27 N 4.1667 8.8080 121.2479 54.3841 36.7464 174.5532 28 V 4.1821 8.7014 118.5534 61.6914 33.4058 174.9908 29 A 4.5798 8.5369 129.7295 51.9322 19.7757 176.2223 30 V 4.7783 9.0270 121.5363 61.4563 35.1713 173.8401 31 H 5.1951 9.2585 125.0063 54.1201 31.6499 172.8019 32 V 4.8496 8.2259 124.4462 61.7568 33.4397 174.9611 33 F 5.4971 9.7861 125.7481 55.7477 43.2465 174.0273 34 R 4.7451 9.4462 119.9512 54.0995 33.1807 174.2681 35 K 3.7771 8.8085 128.4399 56.5687 32.6652 176.1709 36 A 4.3456 9.1141 131.2211 50.6185 20.0707 177.7048 37 A 3.9258 8.5605 123.8339 55.3219 18.3393 178.2322 38 D 4.6116 7.8814 112.8652 53.3126 40.3541 176.2294 39 D 4.0633 8.2629 116.3370 56.3742 38.3673 171.4492 40 T 4.3742 6.6935 108.5021 60.0045 73.6722 174.0666 41 W 5.2635 8.6908 120.9036 55.4211 30.7684 175.0719 42 E 4.6982 9.1165 125.4009 54.1534 30.8172 174.4864 43 P 3.9669 0.0000 0.0000 63.4956 31.4877 175.3125 44 F 4.6848 9.5973 125.3351 59.1823 41.5838 174.9679 45 A 4.8068 7.8789 117.7618 50.2335 23.0154 174.6391 46 S 4.5569 8.8122 113.3154 55.7483 65.4232 173.5729 47 G 4.1685 7.1986 114.3495 46.3005 0.0000 171.5263 48 K 5.2535 8.2734 119.0686 53.9921 36.0738 176.4434 49 T 3.8269 8.9590 117.2486 63.4913 69.5965 173.4002 50 S 5.1050 8.9416 126.9126 57.3443 65.4708 169.7785 51 E 5.0476 8.5895 124.6228 54.9523 31.8665 174.4166 52 S 4.3774 9.0503 119.3830 58.2124 67.7747 173.2386 53 S 3.6250 8.7184 124.9830 59.5577 60.0070 170.2375 54 D 4.7373 8.7594 119.8583 55.4881 40.2886 176.2577 55 S 4.4578 8.0102 118.5502 59.9510 60.5913 179.7257 *56 H 4.8543 7.8689 125.1154 55.8866 29.5144 175.3725 57 G 4.1022 7.9946 106.9804 46.8536 0.0000 172.1510 58 L 5.1711 8.6599 123.7816 53.9153 44.6805 172.4892 59 T 4.7563 8.7005 120.5936 59.8239 70.1011 171.9023 60 T 4.4031 8.1608 123.2181 60.3127 69.2479 172.4144 61 E 4.1090 9.0222 123.9654 58.5928 30.3409 177.1232 62 E 4.0419 8.1557 116.1916 56.8345 30.1433 178.7125 63 E 4.8569 8.6298 118.4734 54.5429 33.2584 176.6546 *64 F 4.9229 8.4691 120.3190 55.3572 39.7817 174.6591 65 V 4.6851 8.0147 110.5858 60.7158 35.3327 175.1655 66 E 4.0342 8.4422 122.4743 55.4525 30.3275 176.8807 67 G 4.1640 7.5440 112.9807 44.4891 0.0000 170.9849 68 I 4.5676 7.1978 120.5280 60.2510 38.7515 175.0534 69 Y 5.1531 8.7707 123.6998 55.9224 42.4514 174.3418 70 K 4.7123 8.6736 121.3679 54.6034 35.5597 174.9137 71 V 4.6640 8.9209 127.7764 61.3626 33.8732 173.7868 72 E 4.8851 8.9234 128.4342 54.7619 31.8266 175.1125 73 I 4.6435 9.0305 126.8680 59.0424 39.6832 176.1433 74 D 5.1063 8.4528 129.9924 53.7755 37.2522 176.6040 75 T 3.8547 7.6199 114.2504 64.4664 69.2932 176.4554 76 K 4.1429 8.0607 122.0898 59.6392 32.4339 178.8810 77 S 4.2044 8.5047 115.4864 61.3749 62.3114 176.0779 78 Y 3.8369 7.5660 121.1437 60.5667 38.5105 178.2164 79 W 4.4870 8.0663 119.8706 59.7707 29.1284 178.7590 80 K 4.1626 8.4889 118.3937 59.3743 31.2600 179.1747 81 A 4.0815 7.7821 119.5135 53.9586 18.1844 178.4778 82 L 4.6316 7.0122 116.3475 54.0626 42.6062 176.9955 83 G 3.9804 7.9066 105.0743 46.1897 0.0000 173.8404 84 I 4.3261 7.9013 120.1900 59.1446 38.7557 175.5874 85 S 4.4252 8.6336 120.7648 56.5373 61.5488 171.7872 86 P 4.3818 0.0000 0.0000 61.6945 32.4828 176.6669 87 F 3.9594 7.7990 120.8436 61.3713 39.3104 175.5949 88 H 4.2889 7.8138 116.5743 55.4517 29.1619 175.7703 89 E 4.0232 8.5956 122.6576 58.7552 29.6810 175.8954 90 H 4.7480 7.2387 110.9854 55.5713 31.2834 173.1205 91 A 4.6696 8.2347 119.3067 50.1807 21.7398 175.3144 92 E 5.5429 8.7552 118.5939 53.7112 33.5043 175.2357 93 V 4.4076 8.1801 119.6348 61.4960 34.6793 173.8632 94 V 5.0364 8.3837 128.0784 61.4141 33.5639 174.4577 95 F 4.9181 8.7287 120.2493 56.5465 41.6386 172.7402 96 T 4.8344 8.7924 116.8634 62.5726 69.4759 174.3759 97 A 4.8018 9.4481 128.7502 49.9780 22.2966 175.7230 98 N 4.8543 9.8461 113.0705 53.0467 36.9600 176.6028 99 D 4.5022 8.3669 118.3251 56.7027 41.5252 176.2622 100 S 4.7027 7.8556 114.9539 58.8870 64.0385 173.9090 101 G 4.1577 8.7701 107.6193 43.7078 0.0000 172.5162 102 P 4.5261 0.0000 0.0000 63.2866 31.7562 175.9094 103 R 4.6881 8.2709 120.2251 54.5032 34.7317 174.4290 104 R 4.4697 8.2385 119.9370 55.3632 31.8705 175.2520 105 Y 5.0827 9.3377 121.7599 56.5029 41.4044 175.0832 106 T 4.9198 8.5253 118.5791 62.1030 72.6851 172.9861 107 I 4.7176 9.1439 128.6604 59.7771 38.9684 174.7556 108 A 4.9417 8.9794 130.6604 50.5143 20.6731 175.3701 109 A 5.1286 9.3585 125.5631 50.1827 21.9407 174.7295 110 L 4.8320 8.7336 125.5578 53.5708 44.0621 175.1083 111 L 5.3899 9.2227 126.6702 53.4232 44.7507 175.8270 112 S 4.9300 9.1358 117.1012 56.5115 67.6117 173.3735 113 P 3.2842 0.0000 0.0000 65.4561 31.0766 178.0094 114 Y 4.2369 7.5954 112.1784 57.0977 38.5101 174.9699 115 S 4.6501 7.5779 112.8819 58.0226 65.7863 173.2159 116 Y 5.3382 7.6351 120.1392 56.7065 39.9428 173.0029 117 S 4.9965 8.7952 114.3708 57.0348 67.1841 172.8324 118 T 5.2480 8.5291 110.3619 60.5198 71.3690 173.0719 119 T 4.7432 9.2115 122.0596 61.5287 72.4380 172.5671 120 A 4.8415 8.5763 126.9015 50.5004 20.9324 176.6864 121 V 4.0530 8.8817 124.3713 61.4253 32.6433 174.0534 122 V 4.5464 8.1447 127.8941 61.2956 32.7057 174.7436 123 T 4.6058 8.4866 118.9149 59.8772 71.6782 173.8314 124 N 4.6176 8.6503 121.7760 50.7887 37.3326 173.2833 125 P 4.3623 0.0000 0.0000 63.2211 31.3957 176.3816 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 11 P 0.00 4.51 0.00 2.22 2.44 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 12 L 7.84 4.91 0.00 1.79 1.57 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.35 5.12 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 14 V 8.40 4.74 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 0.94 0.00 0.00 0.93 0.00 0.00 15 K 8.98 4.88 0.00 1.70 1.65 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.33 7.81 16 V 8.21 4.77 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 0.81 0.00 0.00 0.81 0.00 0.00 17 L 9.18 4.94 0.00 1.58 1.54 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.87 5.18 0.00 2.74 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 19 A 9.46 4.37 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 20 V 9.00 4.01 2.60 0.00 0.00 0.00 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 1.00 0.00 0.00 21 R 8.52 4.40 0.00 2.04 2.02 0.00 3.46 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 22 G 8.10 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 0.00 0.00 0.00 23 S 7.36 4.76 0.00 3.89 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 24 P 0.00 4.72 0.00 2.07 2.08 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 25 A 8.61 4.36 0.58 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 0.00 0.00 26 I 8.40 4.05 1.91 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 1.34 0.62 0.92 0.00 0.00 27 N 8.81 4.17 0.00 2.84 2.91 0.00 0.00 6.87 7.62 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 28 V 8.70 4.18 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 0.59 0.00 0.00 0.59 0.00 0.00 29 A 8.54 4.58 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 30 V 9.03 4.78 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 0.96 0.00 0.00 0.92 0.00 0.00 31 H 9.26 5.20 0.00 3.37 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.23 4.85 2.33 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 1.09 0.00 0.00 1.00 0.00 0.00 33 F 9.79 5.50 0.00 2.81 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 34 R 9.45 4.75 0.00 2.05 1.95 0.00 3.53 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.00 35 K 8.81 3.78 0.00 1.33 1.34 0.00 1.51 0.00 0.00 1.44 0.00 0.00 2.54 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.01 0.52 7.81 36 A 9.11 4.35 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 37 A 8.56 3.93 1.25 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 38 D 7.88 4.61 0.00 2.73 2.71 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 39 D 8.26 4.06 0.00 2.65 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 40 T 6.69 4.37 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 1.14 0.00 0.00 41 W 8.69 5.26 0.00 3.20 3.29 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 42 E 9.12 4.70 0.00 2.06 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 2.32 0.00 43 P 0.00 3.97 0.00 1.83 1.73 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 44 F 9.60 4.68 0.00 2.97 3.12 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 0.00 45 A 7.88 4.81 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 46 S 8.81 4.56 0.00 3.78 3.65 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 0.00 0.00 0.00 0.00 47 G 7.20 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 48 K 8.27 5.25 0.00 1.57 1.65 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.37 7.81 49 T 8.96 3.83 4.33 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 1.15 0.00 0.00 50 S 8.94 5.10 0.00 3.45 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 51 E 8.59 5.05 0.00 1.73 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 2.14 1.86 0.00 52 S 9.05 4.38 0.00 3.54 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 53 S 8.72 3.62 0.00 3.78 3.47 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 54 D 8.76 4.74 0.00 2.68 2.58 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 55 S 8.01 4.46 0.00 3.68 3.82 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 *56 H 7.87 4.85 0.00 2.68 2.99 0.00 7.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.99 4.10 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 0.00 0.00 0.00 58 L 8.66 5.17 0.00 1.31 1.50 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.70 4.76 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 60 T 8.16 4.40 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 61 E 9.02 4.11 0.00 1.98 1.88 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 2.22 1.87 0.00 62 E 8.16 4.04 0.00 1.97 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 2.24 1.91 0.00 63 E 8.63 4.86 0.00 1.93 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 2.11 1.82 0.00 *64 F 8.47 4.92 0.00 2.29 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 0.00 0.00 0.00 65 V 8.01 4.69 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 0.91 0.00 0.00 1.08 0.00 0.00 66 E 8.44 4.03 0.00 1.98 1.92 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 2.34 2.58 0.00 67 G 7.54 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 68 I 7.20 4.57 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.48 0.99 0.00 0.00 69 Y 8.77 5.15 0.00 1.92 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.67 4.71 0.00 0.79 0.74 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 0.88 7.81 71 V 8.92 4.66 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 1.03 0.00 0.00 1.07 0.00 0.00 72 E 8.92 4.89 0.00 1.98 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 1.92 1.91 0.00 73 I 9.03 4.64 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.79 0.77 0.00 0.00 74 D 8.45 5.11 0.00 2.79 2.58 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 T 7.62 3.85 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 1.08 0.00 0.00 76 K 8.06 4.14 0.00 2.06 1.90 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.60 7.81 77 S 8.50 4.20 0.00 4.04 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 78 Y 7.57 3.84 0.00 2.90 2.71 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 79 W 8.07 4.49 0.00 3.52 3.35 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 80 K 8.49 4.16 0.00 1.82 1.90 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.68 1.66 7.81 81 A 7.78 4.08 1.25 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 82 L 7.01 4.63 0.00 1.75 1.75 0.86 0.76 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 83 G 7.91 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 84 I 7.90 4.33 2.19 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 1.23 0.99 0.86 0.00 0.00 85 S 8.63 4.43 0.00 3.88 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 86 P 0.00 4.38 0.00 2.27 2.06 0.00 3.87 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 2.05 2.20 0.00 87 F 7.80 3.96 0.00 1.64 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 88 H 7.81 4.29 0.00 3.26 3.48 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.60 4.02 0.00 1.74 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 2.16 2.14 0.00 90 H 7.24 4.75 0.00 3.20 3.27 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.23 4.67 0.44 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 92 E 8.76 5.54 0.00 1.76 1.72 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 2.18 2.24 0.00 93 V 8.18 4.41 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 1.10 0.00 0.00 0.95 0.00 0.00 94 V 8.38 5.04 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 1.11 0.00 0.00 0.88 0.00 0.00 95 F 8.73 4.92 0.00 3.19 3.08 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 96 T 8.79 4.83 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 1.25 0.00 0.00 97 A 9.45 4.80 1.09 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 0.00 0.00 98 N 9.85 4.85 0.00 3.03 2.94 0.00 0.00 6.56 8.32 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 99 D 8.37 4.50 0.00 2.70 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 0.00 100 S 7.86 4.70 0.00 3.87 3.80 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 0.00 101 G 8.77 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 0.00 102 P 0.00 4.53 0.00 2.08 2.08 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 103 R 8.27 4.69 0.00 1.12 1.63 0.00 3.17 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.85 0.00 104 R 8.24 4.47 0.00 1.65 1.80 0.00 3.24 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 105 Y 9.34 5.08 0.00 2.92 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 0.00 106 T 8.53 4.92 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 1.20 0.00 0.00 107 I 9.14 4.72 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.62 0.87 0.00 0.00 108 A 8.98 4.94 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 0.00 109 A 9.36 5.13 1.15 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 0.00 110 L 8.73 4.83 0.00 1.83 1.61 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.22 5.39 0.00 1.83 1.99 0.54 0.62 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 0.00 112 S 9.14 4.93 0.00 3.94 3.66 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 0.00 0.00 0.00 0.00 113 P 0.00 3.28 0.00 2.10 1.78 0.00 3.20 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 1.63 0.46 0.00 114 Y 7.60 4.24 0.00 2.82 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 0.00 115 S 7.58 4.65 0.00 3.79 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 0.00 116 Y 7.64 5.34 0.00 3.04 2.93 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 0.00 117 S 8.80 5.00 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 0.00 118 T 8.53 5.25 4.27 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 1.32 0.00 0.00 119 T 9.21 4.74 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 0.00 120 A 8.58 4.84 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 0.00 121 V 8.88 4.05 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 0.89 0.00 0.00 0.91 0.00 0.00 122 V 8.14 4.55 1.98 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 0.45 0.00 0.00 0.95 0.00 0.00 123 T 8.49 4.61 4.18 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 1.15 0.00 0.00 124 N 8.65 4.62 0.00 2.72 2.87 0.00 0.00 6.06 7.75 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 0.00 125 P 0.00 4.36 0.00 2.04 2.04 0.00 3.72 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 2.11 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.