NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-7 H 4.6390 8.3033 117.3790 55.5190 29.6429 173.2711 -6 E 4.0592 8.9320 119.7211 56.5887 26.7716 172.9935 -5 N 4.7363 8.2457 118.8811 52.1916 40.4164 174.5039 -4 L 4.0552 8.3524 119.4165 55.2676 42.2208 176.3010 -3 Y 4.8556 8.6904 123.4401 55.6949 39.9176 175.6855 -2 F 4.8462 7.6866 124.9509 57.6320 40.6981 174.7528 -1 Q 2.8325 6.4702 114.9144 55.6856 26.7895 173.0875 0 G 4.0350 7.4551 107.2105 46.4213 0.0000 172.9764 -5 K 4.3163 8.1357 120.5811 55.2916 34.6164 175.9039 -4 I 3.8852 8.1924 117.5165 61.2676 38.6208 175.1010 -3 P 4.7256 0.0000 0.0000 61.0949 34.2176 177.0856 -2 K 4.5462 7.6766 125.0509 56.1320 34.1981 175.5528 -1 I 2.6625 6.1502 115.0144 61.0856 36.1895 173.4875 0 Y 4.6250 7.2451 118.7105 59.2213 33.6124 173.9764 8 V 4.7206 8.8151 123.6107 60.5660 34.9286 174.2694 9 E 4.4819 8.4030 129.5217 57.0342 29.8000 177.2832 10 G 3.9703 9.3856 114.4244 45.8469 0.0000 173.5845 11 E 4.2612 7.7884 120.6535 54.1512 28.4925 176.4816 12 L 2.4400 6.9665 119.1209 55.2960 42.7776 175.5888 13 N 4.7121 7.5274 121.8894 52.7360 39.4200 173.8897 14 D 4.7877 8.6298 118.4373 53.4520 39.5841 176.5939 15 G 3.9915 8.5184 110.3657 44.9861 0.0000 173.4463 16 D 4.7398 8.4612 118.0857 54.5910 42.1295 176.1481 17 R 5.1206 8.5559 118.5389 54.4324 34.9375 174.3937 18 V 4.2469 8.1067 120.0799 60.9023 34.5906 174.0805 19 A 4.5253 8.6105 129.8338 50.4930 21.1423 175.8526 20 I 4.4785 8.3472 122.5567 59.7232 40.2852 174.7340 21 E 4.8328 8.5887 126.7364 53.8227 33.7341 175.7578 22 K 3.9347 9.2013 118.3366 59.2540 29.7013 175.6057 23 D 4.2080 9.2100 109.3834 54.3661 37.2472 176.7625 24 G 4.0429 8.4881 107.1409 46.0969 0.0000 174.2435 25 N 4.5653 7.8375 115.7045 53.3508 39.5356 174.6860 26 A 4.6895 7.8588 120.7868 49.8919 21.7749 175.0437 27 I 4.5158 8.3404 123.2840 59.4603 39.8991 175.3069 28 I 4.3703 8.2808 128.4098 59.1122 40.1020 175.0434 29 F 4.1834 8.8060 126.8809 57.2710 39.2534 175.3195 30 L 4.7860 8.3966 124.2301 53.3175 43.3635 176.7544 31 E 4.2039 10.0891 124.4556 56.6057 30.3363 179.1904 32 K 4.1407 8.4636 124.0095 57.6332 31.8704 177.3482 33 D 5.0239 7.9257 115.9202 53.3951 42.0318 175.0306 34 E 4.2823 8.4025 120.9651 55.7643 30.4564 177.0278 35 E 4.0613 8.7152 119.9275 55.9494 30.4103 172.4291 36 Y 4.6648 8.5414 124.7312 56.1110 39.3298 175.0972 37 S 4.4365 8.2759 122.8114 58.1316 63.6118 174.3601 38 G 3.5740 5.4602 110.8355 44.1772 0.0000 173.5119 39 N 4.6160 8.4923 114.9585 52.9294 38.0752 175.1198 40 G 4.1061 8.3337 107.2237 45.4240 0.0000 172.8982 41 K 4.5661 8.4176 118.9768 55.4089 33.7169 176.2547 42 L 4.4836 8.3424 124.1814 53.4214 43.6389 175.2788 43 L 4.8871 8.5683 124.0073 53.1368 44.6031 174.9410 44 Y 5.1539 8.8562 121.0087 55.9037 40.8393 175.0206 45 Q 4.9729 8.9742 125.9373 56.4599 29.5472 175.6387 46 V 4.6406 7.9881 118.1867 59.1344 35.9457 175.3951 47 I 3.8230 8.2538 123.5360 61.2164 37.7491 175.6232 48 Y 4.0602 8.6281 126.9511 57.6886 39.3117 175.3038 49 D 4.4537 7.3116 128.4787 53.2310 41.9002 172.9678 50 D 4.6439 6.3431 120.4733 55.1473 42.2535 174.5442 51 L 3.8401 8.2786 127.2759 57.4984 42.3130 178.3773 52 A 4.0980 7.9026 120.1816 54.3700 18.4848 178.5700 53 K 3.7637 7.5026 114.8879 58.7561 32.7511 177.3868 54 Y 4.5103 7.4073 117.6721 56.8021 37.6151 176.6035 *56 S 4.3858 7.5812 114.0400 58.7612 64.3000 173.6732 57 L 3.5127 8.2644 132.9457 57.1798 40.0269 176.0200 58 D 4.9219 8.8777 127.5354 54.0051 40.0473 174.8238 59 T 5.1183 7.5039 116.4114 62.4296 70.5214 174.3845 60 L 4.4018 8.8927 129.3815 55.1457 43.0474 177.0962 61 K 4.6457 9.4574 124.0367 56.7425 33.5879 175.8912 62 K 4.7779 7.7780 118.8443 54.5688 36.4532 175.5919 63 D 4.7586 8.7856 122.2333 54.4899 42.1250 175.8139 64 V 5.5116 8.7586 122.0189 61.1945 35.3890 173.5065 65 L 5.2979 8.7662 128.4999 53.3725 44.6376 175.1083 66 I 4.9309 8.8908 127.2254 59.6580 39.5880 174.2038 67 Q 4.6169 8.4845 128.5246 54.2117 30.0979 174.7342 68 Y 4.3141 8.1019 124.7422 57.1896 38.7488 175.8346 69 P 4.2693 0.0000 0.0000 65.2992 31.5530 177.3887 70 D 4.4165 8.1191 115.8111 53.7120 39.4202 176.5680 71 K 3.8814 7.8753 118.0674 57.6651 30.0067 176.0657 72 H 4.8813 8.9816 115.4584 55.7651 32.2902 173.7603 73 T 5.0175 8.1524 115.2315 61.7968 71.2505 173.5353 74 L 5.1488 8.4945 123.3522 54.9837 43.9995 174.8761 75 T 4.7582 9.0508 116.5483 62.0279 72.0966 172.2049 76 Y 4.9754 8.8069 127.4754 55.8342 40.7852 174.6339 77 L 4.4428 8.3176 127.3924 52.2691 44.5152 176.3684 78 K 4.3919 7.9185 123.4399 55.9316 34.1699 176.5214 79 A 4.1716 9.2949 125.6344 54.3800 18.6282 178.3798 80 G 4.0093 9.0391 111.2194 45.1296 0.0000 174.0789 81 T 4.0410 7.7071 117.9070 63.4574 69.4630 173.8389 82 K 4.6467 8.6809 126.3588 56.1322 32.8384 176.3232 83 L 4.9447 9.1655 124.6501 53.0093 45.3084 175.6379 84 I 4.6003 8.3014 120.2681 59.8164 39.8981 174.8107 85 S 4.8723 8.8022 122.5243 56.7794 65.1290 173.7960 86 V 4.4225 8.6164 125.2307 60.2479 33.2117 172.8451 87 P 5.0015 0.0000 0.0000 62.6872 32.6894 176.2401 88 A 4.7455 9.3153 123.6247 50.3565 21.0428 174.1918 89 E 5.1176 8.4142 119.5516 55.2850 32.5391 176.0124 90 G 3.9691 8.5282 111.6402 45.2708 0.0000 172.6973 91 Y 4.3895 9.1072 120.2218 60.1356 38.7490 176.5159 92 K 4.5189 8.2847 117.9605 54.3356 36.3067 175.3969 93 V 4.6882 8.1871 123.0824 61.4348 34.5127 174.7474 94 Y 4.6378 9.1506 126.2070 55.6180 38.8478 173.0461 95 P 5.2577 0.0000 0.0000 61.4567 33.5773 177.6862 96 I 3.9514 8.4099 121.9654 61.1650 38.5667 174.6183 *98 D 4.0810 8.5006 122.4247 55.1141 41.9663 175.3384 99 F 4.8789 8.0976 118.4480 56.9836 42.9784 174.5304 100 G 2.8547 8.6551 111.0774 46.6781 0.0000 173.5765 101 F 4.9343 7.1776 112.8520 54.4649 41.1912 174.9590 102 R 4.5779 8.5493 121.8391 56.4142 31.0982 175.5421 103 V 4.2815 8.4150 116.5882 59.9102 36.7713 174.1906 104 L 4.8900 8.2517 121.4407 52.2830 44.0162 176.1666 105 K 4.2106 8.2149 122.1110 58.6518 32.2797 176.9967 106 G 4.0371 9.2953 115.1548 45.1160 0.0000 173.1936 107 Y 4.0597 7.9979 121.8133 58.0397 39.8587 175.3775 108 R 4.5549 7.9562 126.9409 55.9199 30.2240 175.6261 109 L 4.5060 9.1635 126.7019 56.0624 43.6226 176.3227 110 A 5.1751 7.7500 117.9377 51.2231 22.7991 175.0842 111 T 5.0885 8.8843 116.7862 61.8810 71.3833 173.5767 112 L 5.1918 9.0847 125.9042 52.8968 44.7813 174.9051 113 E 5.2186 9.2864 124.9512 54.4108 32.4466 176.0704 114 S 4.7854 9.0851 122.1747 56.8296 64.5915 174.9152 115 K 2.7684 8.2568 121.1200 58.6104 31.6967 177.2229 116 K 4.2939 7.9788 115.4716 55.9457 32.1341 176.8849 117 G 3.9623 8.3436 106.9522 45.4121 0.0000 173.6993 118 D 4.5818 8.1057 120.3280 53.9677 42.0055 175.2224 119 L 5.1420 8.4026 122.4463 53.1611 43.8868 175.8527 120 R 4.4373 8.5480 121.1679 54.4536 34.7401 173.6928 121 Y 5.2899 8.2395 116.4710 56.3271 42.0630 175.3760 122 V 4.4025 8.9289 122.3635 61.4945 33.3861 174.2560 123 N 5.4806 8.5671 124.7754 51.0023 42.3624 174.0522 124 S 4.4231 9.1862 117.6017 58.1268 62.8853 173.4725 125 P 4.6077 0.0000 0.0000 64.6830 31.6784 175.8935 126 V 4.5103 7.2007 110.5252 60.0802 36.0340 173.7887 127 S 4.7489 8.7166 116.8553 56.4762 64.6014 175.1527 128 G 4.1020 7.0347 110.4264 46.2365 0.0000 170.4633 129 T 4.8335 7.8365 118.7967 61.5887 71.2704 174.4814 130 V 3.9165 8.1864 127.4646 62.4131 31.7039 176.2695 131 I 4.2231 8.8654 122.9097 62.4676 39.1441 174.9617 132 F 4.9308 8.0198 122.8717 57.5773 42.8499 172.4341 *134 N 4.9542 8.5454 115.6246 52.3536 38.2004 173.4479 135 E 3.6940 8.1296 117.8685 56.1168 30.2714 177.0262 136 I 4.0043 8.0288 123.5358 60.1018 37.7102 175.2595 137 P 4.1984 0.0000 0.0000 65.6886 31.2757 178.0241 138 S 4.1854 7.8831 110.7935 60.5142 63.4745 174.0725 139 E 4.4447 7.8517 122.0397 54.9373 30.1941 175.2024 140 R 3.7052 8.2993 124.5665 58.2565 30.5142 178.3629 141 A 3.9565 7.8546 119.9861 54.4416 18.7764 177.1197 142 N 5.1284 7.9325 112.6979 52.4615 41.1335 174.0904 143 Y 5.3094 8.8442 117.5920 56.3412 42.7859 174.8235 144 V 4.8632 8.4820 119.4548 60.2354 34.6684 174.6287 145 F 5.0038 9.0317 121.9422 56.1126 41.6924 174.4832 146 Y 5.5180 9.2890 119.8743 55.3042 41.8570 174.5065 *148 L 4.3477 8.1507 121.3784 54.8379 43.3736 175.4786 149 E 4.5617 8.9576 127.9541 56.0353 30.3570 176.3251 150 E 4.2646 8.8518 122.9589 56.4343 29.8942 175.6645 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 *-7 H 8.30 4.64 0.00 2.85 3.01 0.00 7.27 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 -6 E 8.93 4.06 0.00 2.20 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 0.00 2.18 2.38 0.00 -5 N 8.25 4.74 0.00 2.64 2.89 0.00 0.00 6.90 7.73 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 -4 L 8.35 4.06 0.00 1.81 1.45 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.69 4.86 0.00 2.96 2.92 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 -2 F 7.69 4.85 0.00 3.02 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 -1 Q 6.47 2.83 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.32 0.00 0.00 0.00 0.00 0.00 2.46 2.24 0.00 0 G 7.46 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 -5 K 8.14 4.32 0.00 1.65 1.89 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.55 7.81 -4 I 8.19 3.89 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.46 0.91 0.00 0.00 -3 P 0.00 4.73 0.00 2.22 1.88 0.00 2.20 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 1.95 1.97 0.00 -2 K 7.68 4.55 0.00 1.72 1.69 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.36 7.81 -1 I 6.15 2.66 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 1.30 1.51 0.91 0.00 0.00 0 Y 7.25 4.63 0.00 2.96 2.92 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 8 V 8.82 4.72 1.86 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 0.37 0.00 0.00 0.52 0.00 0.00 9 E 8.40 4.48 0.00 2.01 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 2.28 0.00 10 G 9.39 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 0.00 0.00 0.00 11 E 7.79 4.26 0.00 2.00 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 2.40 2.19 0.00 12 L 6.97 2.44 0.00 1.22 1.36 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.53 4.71 0.00 2.78 2.70 0.00 0.00 6.19 8.06 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 14 D 8.63 4.79 0.00 2.83 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 15 G 8.52 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 16 D 8.46 4.74 0.00 2.80 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 17 R 8.56 5.12 0.00 1.53 1.38 0.00 2.87 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.72 0.00 18 V 8.11 4.25 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 0.16 0.00 0.00 -0.66 0.00 0.00 19 A 8.61 4.53 0.50 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 0.00 0.00 20 I 8.35 4.48 1.65 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.80 0.44 0.00 0.00 21 E 8.59 4.83 0.00 1.86 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 2.28 2.25 0.00 22 K 9.20 3.93 0.00 1.90 1.81 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.39 7.81 23 D 9.21 4.21 0.00 2.82 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 24 G 8.49 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 25 N 7.84 4.57 0.00 2.86 2.86 0.00 0.00 6.64 7.51 0.00 0.00 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 A 7.86 4.69 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 27 I 8.34 4.52 1.74 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 0.92 0.51 0.49 0.00 0.00 28 I 8.28 4.37 1.70 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 1.18 0.62 0.88 0.00 0.00 29 F 8.81 4.18 0.00 2.89 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 30 L 8.40 4.79 0.00 1.45 1.56 0.61 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 E 10.09 4.20 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 2.47 2.41 0.00 32 K 8.46 4.14 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.09 7.81 33 D 7.93 5.02 0.00 2.62 2.66 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 34 E 8.40 4.28 0.00 2.11 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 0.00 2.60 2.29 0.00 35 E 8.72 4.06 0.00 2.01 1.79 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 2.23 1.87 0.00 36 Y 8.54 4.66 0.00 2.78 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 37 S 8.28 4.44 0.00 3.72 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 38 G 5.46 3.57 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 0.00 0.00 0.00 39 N 8.49 4.62 0.00 2.82 2.91 0.00 0.00 5.85 7.00 0.00 0.00 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 G 8.33 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 0.00 0.00 0.00 41 K 8.42 4.57 0.00 1.78 1.69 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.41 1.28 7.81 42 L 8.34 4.48 0.00 1.46 0.88 0.91 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.57 4.89 0.00 1.42 1.54 0.93 0.65 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 44 Y 8.86 5.15 0.00 2.94 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 45 Q 8.97 4.97 0.00 1.61 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.70 0.00 0.00 0.00 0.00 0.00 2.13 1.83 0.00 46 V 7.99 4.64 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 0.85 0.00 0.00 0.99 0.00 0.00 47 I 8.25 3.82 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 1.32 0.47 0.96 0.00 0.00 48 Y 8.63 4.06 0.00 2.99 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 49 D 7.31 4.45 0.00 2.48 2.34 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 50 D 6.34 4.64 0.00 2.84 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 51 L 8.28 3.84 0.00 1.52 0.41 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.90 4.10 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 53 K 7.50 3.76 0.00 0.80 1.09 0.00 1.42 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.17 7.81 54 Y 7.41 4.51 0.00 3.11 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 *56 S 7.58 4.39 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.51 0.00 1.86 0.82 0.93 1.05 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 58 D 8.88 4.92 0.00 2.58 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 59 T 7.50 5.12 4.36 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 1.26 0.00 0.00 60 L 8.89 4.40 0.00 1.93 1.51 0.97 0.48 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 61 K 9.46 4.65 0.00 1.75 1.90 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.45 7.81 62 K 7.78 4.78 0.00 1.48 1.59 0.00 1.97 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.42 7.81 63 D 8.79 4.76 0.00 2.71 2.79 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 64 V 8.76 5.51 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 1.04 0.00 0.00 0.82 0.00 0.00 65 L 8.77 5.30 0.00 1.72 1.51 0.63 1.09 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 66 I 8.89 4.93 1.73 0.00 0.00 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 1.31 0.75 0.47 0.00 0.00 67 Q 8.48 4.62 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.02 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 68 Y 8.10 4.31 0.00 3.06 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 69 P 0.00 4.27 0.00 2.05 2.08 0.00 3.81 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 2.04 1.99 0.00 70 D 8.12 4.42 0.00 2.85 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 71 K 7.88 3.88 0.00 1.93 1.81 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.27 7.81 72 H 8.98 4.88 0.00 3.23 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.15 5.02 4.47 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 1.33 0.00 0.00 74 L 8.49 5.15 0.00 1.81 1.68 1.02 0.78 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 75 T 9.05 4.76 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 1.30 0.00 0.00 76 Y 8.81 4.98 0.00 2.87 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 77 L 8.32 4.44 0.00 1.42 1.41 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.92 4.39 0.00 1.80 1.82 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.38 7.81 79 A 9.29 4.17 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 80 G 9.04 4.01 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 0.00 81 T 7.71 4.04 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 1.19 0.00 0.00 82 K 8.68 4.65 0.00 1.66 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 83 L 9.17 4.94 0.00 1.55 1.70 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.30 4.60 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 1.39 0.84 0.95 0.00 0.00 85 S 8.80 4.87 0.00 3.79 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 86 V 8.62 4.42 2.24 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 1.04 0.00 0.00 0.97 0.00 0.00 87 P 0.00 5.00 0.00 2.16 2.06 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 88 A 9.32 4.75 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 5.12 0.00 1.85 1.86 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 2.21 2.31 0.00 90 G 8.53 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 0.00 0.00 0.00 91 Y 9.11 4.39 0.00 2.86 3.30 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 92 K 8.28 4.52 0.00 1.73 1.28 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.01 0.92 7.81 93 V 8.19 4.69 2.44 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 0.97 0.00 0.00 1.11 0.00 0.00 94 Y 9.15 4.64 0.00 2.92 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 95 P 0.00 5.26 0.00 1.86 1.65 0.00 3.51 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 96 I 8.41 3.95 2.08 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 0.91 0.64 0.00 0.00 *98 D 8.50 4.08 0.00 2.36 2.10 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 99 F 8.10 4.88 0.00 3.03 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 0.00 100 G 8.66 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 0.00 0.00 0.00 101 F 7.18 4.93 0.00 2.98 2.94 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 0.00 102 R 8.55 4.58 0.00 1.78 1.81 0.00 3.17 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 103 V 8.42 4.28 1.61 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 -0.14 0.00 0.00 0.79 0.00 0.00 104 L 8.25 4.89 0.00 1.73 1.57 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.21 4.21 0.00 1.72 1.76 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.43 7.81 106 G 9.30 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 0.00 107 Y 8.00 4.06 0.00 3.19 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 R 7.96 4.55 0.00 1.64 1.53 0.00 2.90 0.00 0.00 2.25 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 109 L 9.16 4.51 0.00 1.11 0.28 0.58 0.61 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 0.00 110 A 7.75 5.18 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 0.00 111 T 8.88 5.09 4.41 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 1.26 0.00 0.00 112 L 9.08 5.19 0.00 1.50 1.58 1.02 0.84 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 0.00 113 E 9.29 5.22 0.00 2.25 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 2.33 2.31 0.00 114 S 9.09 4.79 0.00 3.99 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 0.00 115 K 8.26 2.77 0.00 0.86 1.54 0.00 0.91 0.00 0.00 0.92 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.13 1.25 7.81 116 K 7.98 4.29 0.00 1.98 1.76 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 0.98 7.81 117 G 8.34 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 0.00 118 D 8.11 4.58 0.00 2.62 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 0.00 119 L 8.40 5.14 0.00 1.40 1.27 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.55 4.44 0.00 1.58 1.67 0.00 3.04 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 1.46 1.48 0.00 121 Y 8.24 5.29 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.93 4.40 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 1.08 0.00 0.00 1.02 0.00 0.00 123 N 8.57 5.48 0.00 2.68 2.71 0.00 0.00 6.73 7.57 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 0.00 124 S 9.19 4.42 0.00 3.87 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 0.00 125 P 0.00 4.61 0.00 2.23 2.18 0.00 3.78 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 1.99 2.00 0.00 126 V 7.20 4.51 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 0.00 127 S 8.72 4.75 0.00 3.87 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 0.00 128 G 7.03 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 0.00 129 T 7.84 4.83 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 1.16 0.00 0.00 130 V 8.19 3.92 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 0.00 0.00 1.04 0.00 0.00 0.34 0.00 0.00 131 I 8.87 4.22 2.13 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 1.45 1.70 1.10 0.00 0.00 132 F 8.02 4.93 0.00 3.33 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 *134 N 8.55 4.95 0.00 3.16 3.67 0.00 0.00 5.98 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 0.00 135 E 8.13 3.69 0.00 1.74 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.02 0.00 136 I 8.03 4.00 1.93 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 1.27 0.81 0.92 0.00 0.00 137 P 0.00 4.20 0.00 1.98 2.07 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 138 S 7.88 4.19 0.00 3.94 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 0.00 139 E 7.85 4.44 0.00 1.96 1.76 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 2.14 2.23 0.00 140 R 8.30 3.71 0.00 1.72 1.83 0.00 3.18 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 141 A 7.85 3.96 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 0.00 0.00 142 N 7.93 5.13 0.00 2.70 2.82 0.00 0.00 6.66 7.09 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 0.00 143 Y 8.84 5.31 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 4.86 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 0.71 0.00 0.00 0.56 0.00 0.00 145 F 9.03 5.00 0.00 3.05 3.01 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 0.00 146 Y 9.29 5.52 0.00 3.11 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 *148 L 8.15 4.35 0.00 1.85 1.63 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.96 4.56 0.00 2.03 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 2.29 2.46 0.00 150 E 8.85 4.26 0.00 2.18 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 2.30 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.