NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2557 8.1701 110.9267 63.4024 69.9420 171.7030 5 A 4.1749 7.4903 123.0766 52.3967 23.3643 175.5994 6 D 4.7863 9.0726 114.8833 54.6352 43.6225 174.9972 7 N 4.7197 8.0152 115.0994 53.2430 38.7846 174.7609 8 C 4.3297 7.8637 119.9310 58.9803 32.2889 173.8430 9 I 3.7649 8.3510 130.0426 64.5824 36.6807 178.3884 10 F 4.5685 8.0251 118.2110 60.8877 38.7885 177.3889 11 C 4.2203 8.2582 115.8946 62.5598 27.8305 175.9596 12 K 3.9720 8.0790 121.5769 59.3949 31.7632 179.0565 13 I 3.7731 7.8932 120.2204 64.3628 36.7771 178.4088 14 I 3.6796 7.7596 119.7515 64.4195 37.1217 177.5573 15 D 4.5619 8.1681 116.1530 54.6452 41.0443 176.4498 16 G 3.8608 7.6876 106.3495 47.2901 0.0000 174.6317 17 Q 4.3339 8.1942 119.9007 56.0776 29.5465 176.1781 18 I 4.6063 7.3379 116.8838 59.1648 40.5912 174.9969 19 L 4.3922 8.1774 123.0151 54.4555 42.7136 175.3887 20 C 4.4893 7.8948 113.7520 57.6563 32.2839 174.3337 21 S 4.6201 8.2414 116.5929 56.7195 62.4499 172.9212 22 K 4.5000 8.4376 125.6073 56.6210 32.2274 175.9330 23 V 4.3336 8.8769 127.2050 64.5935 33.3887 174.9561 24 Y 4.8208 7.7436 118.3575 56.9293 42.1517 172.8676 25 E 5.0689 7.0595 123.3999 55.4779 31.6358 173.9375 26 D 4.5697 8.6966 124.6624 52.0603 42.3633 175.1412 27 E 4.1002 8.8738 118.2667 59.1205 29.7928 177.7052 28 H 4.8900 9.3153 114.7824 55.4203 31.0011 173.8069 29 V 5.1059 7.6906 118.1071 59.9024 35.3302 174.1727 30 L 5.3155 9.0371 122.5255 53.3903 45.8062 174.9030 31 A 5.1924 9.3288 127.1232 50.2697 22.4788 174.8675 32 F 5.2514 8.0063 115.1838 55.3317 41.8371 173.6842 33 L 4.5156 8.4785 120.3407 54.8132 42.3939 176.6672 34 D 4.5468 8.7044 123.1355 53.3171 41.4695 177.3977 35 I 3.8034 8.4911 120.5579 63.4567 37.7101 177.3925 36 S 4.0913 9.0916 117.3717 60.2587 63.3123 174.6152 37 Q 3.2336 7.9789 117.7391 56.7483 26.1713 174.6867 38 V 3.8174 7.6168 114.7774 64.2371 32.6916 176.8640 39 T 4.9442 7.4541 107.7845 59.2741 71.5474 172.9715 40 K 4.1325 8.3781 122.6301 58.5732 32.6497 177.3150 41 G 3.9316 9.3481 113.1850 44.4672 0.0000 172.4180 42 H 4.2536 8.0057 120.3197 57.5115 30.6825 173.9774 43 T 5.0593 9.1842 121.8209 61.7043 72.7381 172.9312 44 L 5.0244 8.5626 123.8135 52.8435 45.2452 175.6345 45 V 4.7761 8.3243 122.0047 61.0559 34.3470 174.3885 46 I 5.3185 8.7418 120.9379 58.3397 41.2505 172.9573 47 P 4.9844 0.0000 0.0000 62.7038 31.7207 176.5398 48 K 4.3869 8.9963 122.1779 59.3269 32.5527 178.4756 49 V 3.8321 7.7844 118.5045 61.2549 32.2634 175.3720 50 H 4.4316 8.7570 122.4491 55.5598 29.4868 174.5442 51 K 4.5853 8.0122 126.4061 54.2897 34.9533 177.4069 52 Q 4.1256 9.1870 124.9453 58.6313 29.5411 174.8131 53 D 4.7412 7.6858 114.9600 52.5268 42.1476 175.3593 54 I 3.4905 9.3045 119.0391 64.3254 37.8133 178.1166 55 F 4.3407 7.3148 117.1245 59.7801 38.7561 175.8038 56 A 4.4898 8.0152 121.5001 52.1211 19.2368 177.3825 57 L 4.0754 7.4044 116.7244 54.4283 42.3505 177.7446 58 T 4.3540 8.0886 113.2048 60.3224 71.5009 174.0971 59 P 4.1316 0.0000 0.0000 65.6322 31.3270 178.3527 60 E 3.8338 8.1422 117.5622 59.5311 29.4978 178.9590 61 I 3.7038 7.7493 119.2664 64.2672 37.1875 178.1031 62 A 3.8472 8.0469 121.7945 55.3476 18.0531 179.8350 63 S 4.0395 8.2342 113.5794 62.2273 62.7361 176.6704 64 H 4.2282 7.7622 117.2246 58.8886 28.3342 177.7067 65 I 3.9516 8.0243 121.6252 64.5353 37.1010 178.2152 66 F 4.0614 8.3905 121.3008 60.5792 39.0353 177.4416 67 S 4.1712 8.3098 113.5669 60.8887 63.0071 175.9736 68 V 3.8643 7.1997 113.9952 61.5682 31.7517 178.1374 69 V 3.3605 7.1645 119.1229 65.3110 31.2605 175.8886 70 P 3.9727 0.0000 0.0000 65.4525 31.1057 178.5011 71 K 3.7731 7.7807 116.5445 59.5885 31.9761 179.2919 72 I 3.5694 7.4142 119.4091 64.1811 37.0430 178.2156 73 A 3.6864 8.1780 121.9293 55.2452 18.0399 179.4741 74 N 4.1044 8.3188 114.9827 56.2207 38.4578 177.2587 75 A 3.9031 8.0707 122.4448 55.4946 18.4336 179.6298 76 I 3.7829 7.9197 116.8733 63.9805 38.1673 178.0542 77 K 4.0376 8.1459 120.5649 59.3602 31.8080 178.7654 78 A 4.0029 8.5749 120.6541 54.5865 18.2950 178.6342 79 E 4.1010 7.6360 115.8693 57.0757 30.2806 176.9969 80 F 4.9887 7.8306 114.1368 56.3772 40.6877 174.6644 81 N 4.2246 8.1444 117.5131 53.5251 36.4303 172.4229 82 P 4.2907 0.0000 0.0000 62.8167 32.3265 176.8611 83 V 3.9646 8.1771 118.7187 63.3443 32.4678 175.4002 84 G 4.1682 7.4610 107.1062 46.4007 0.0000 171.3585 85 F 4.9777 8.3201 119.4227 57.2424 42.2223 173.2709 86 N 5.2007 8.6957 122.5590 51.3842 42.6413 173.0919 87 L 5.2315 8.4698 120.7275 52.9780 44.5538 175.7166 88 L 4.7950 8.6708 124.2092 53.3625 45.8804 174.5435 89 N 5.0850 8.6747 122.9383 52.0166 42.0376 172.8871 90 N 4.8901 8.6635 123.0325 51.3918 40.8594 173.6671 91 N 4.9307 8.9485 120.1067 53.9076 41.0358 174.8315 92 G 4.1623 9.5547 111.3037 45.4639 0.0000 173.1743 93 E 4.1835 9.3863 123.2798 59.4066 29.5792 178.7484 94 K 4.2525 8.1762 113.4692 57.2444 32.1371 176.9601 95 A 4.5731 8.4164 121.0309 51.7937 19.4538 177.3292 96 G 3.9564 8.1648 104.9677 45.3456 0.0000 173.8064 97 Q 3.9503 7.7731 121.2567 55.7848 29.5304 175.2495 98 T 4.2875 8.3130 114.6918 61.9055 70.7580 174.4469 99 V 4.0470 7.2827 121.3114 60.8927 33.1342 175.9624 100 F 4.5208 8.5259 129.9482 56.9075 38.4214 175.4489 101 H 5.0924 7.6318 118.6670 53.9711 32.9558 172.0533 102 F 4.2050 9.3154 130.3669 59.5941 39.5729 174.0133 103 H 4.8991 7.2791 118.8052 54.4771 31.3859 172.4766 104 L 4.6004 8.4116 120.8266 53.5586 44.0470 175.1822 105 H 4.9912 9.2133 121.5961 54.9719 30.4710 174.2030 106 L 4.8269 9.2998 124.2770 53.2927 43.6018 175.8427 107 I 4.3375 8.0022 126.6259 58.1545 39.3412 173.6644 108 P 4.0147 0.0000 0.0000 62.4782 32.2776 175.8792 109 R 4.5626 8.3910 120.3700 54.8821 32.4479 176.2300 110 Y 4.4712 9.6048 120.1075 57.7903 41.3574 176.6283 111 G 4.0780 7.6987 106.4585 46.3238 0.0000 173.3387 112 E 4.0320 8.8564 120.5066 58.7963 29.9305 178.1142 113 N 4.6816 8.0708 113.7895 53.6022 38.8075 174.8013 114 D 4.4807 7.7922 119.5814 54.5831 41.1401 176.8903 115 G 3.8217 8.6870 112.1750 46.2531 0.0000 173.0802 116 F 4.8874 7.9594 122.0118 56.1598 41.7164 174.3083 117 G 3.7339 7.3493 114.1910 43.8223 0.0000 171.5172 118 A 4.4662 7.8416 122.8994 49.7555 21.3404 176.1723 119 V 4.0256 8.3068 122.8997 61.6337 32.4846 175.0342 120 W 4.8717 8.6623 135.0000 55.3437 33.2163 174.1558 121 K 4.2948 7.7819 125.9754 54.5109 33.8488 175.4774 122 S 4.1887 8.4802 121.3924 58.7185 63.1329 173.1346 123 H 4.9470 8.4462 122.5807 55.4067 30.1299 175.5409 124 Q 4.0760 8.4343 123.2697 59.6780 28.7121 178.6719 125 N 4.6041 8.1695 111.7086 55.0921 38.5932 175.2574 126 E 4.2926 8.2099 117.0381 56.3640 29.9928 175.5801 127 Y 5.0266 7.6752 116.6730 56.3923 42.4619 173.4090 128 T 4.5843 8.8781 116.7772 61.5493 67.7274 176.2147 *130 E 4.2444 9.0497 120.1622 56.1573 31.3417 176.6764 131 N 4.3963 8.3384 116.0876 56.4194 38.5416 177.3736 132 L 3.9389 7.9909 120.3289 57.7233 41.7171 179.2516 133 Q 3.9590 8.0728 118.9941 59.4685 29.0358 178.1512 134 N 4.4101 8.2233 117.4093 56.1086 38.5499 177.5823 135 I 3.6803 7.9897 121.1158 64.3724 37.2876 178.2554 136 A 4.0123 8.1033 121.8350 55.2847 18.1990 179.8776 137 S 4.2558 8.2444 112.7230 61.6439 62.9090 176.7953 138 T 3.8523 7.8097 118.6618 66.5853 68.5118 176.3381 139 I 3.8640 7.8749 121.3663 64.2893 37.0278 178.2669 140 A 4.0245 8.4769 122.0151 55.2563 18.0404 178.8091 141 N 4.6056 8.2114 111.9847 54.4226 38.9093 176.2335 142 S 4.7097 7.6180 113.5583 56.7816 63.2286 173.5228 143 V 3.7798 7.2051 121.7484 63.3175 31.6314 175.8812 144 K 4.2005 8.5966 125.7523 56.5639 32.1974 176.1513 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 4 T 8.17 4.26 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 1.18 0.00 0.00 5 A 7.49 4.17 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 6 D 9.07 4.79 0.00 2.65 2.70 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 7 N 8.02 4.72 0.00 2.71 2.82 0.00 0.00 6.88 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 8 C 7.86 4.33 0.00 3.04 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 9 I 8.35 3.76 1.77 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 1.65 0.43 1.02 0.00 0.00 10 F 8.03 4.57 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 11 C 8.26 4.22 0.00 3.19 3.05 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 0.00 0.00 0.00 0.00 12 K 8.08 3.97 0.00 2.15 1.91 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.62 7.81 13 I 7.89 3.77 1.83 0.00 0.00 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 1.36 0.64 0.41 0.00 0.00 14 I 7.76 3.68 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.95 0.00 0.00 15 D 8.17 4.56 0.00 2.82 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 16 G 7.69 3.86 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 0.00 0.00 0.00 17 Q 8.19 4.33 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 18 I 7.34 4.61 1.83 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 1.40 0.60 0.87 0.00 0.00 19 L 8.18 4.39 0.00 1.59 1.55 0.90 0.81 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 20 C 7.89 4.49 0.00 2.58 2.37 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 21 S 8.24 4.62 0.00 3.87 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 22 K 8.44 4.50 0.00 1.78 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 23 V 8.88 4.33 2.27 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 0.88 0.00 0.00 1.01 0.00 0.00 24 Y 7.74 4.82 0.00 3.11 2.75 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 0.00 0.00 0.00 25 E 7.06 5.07 0.00 1.88 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 2.09 2.25 0.00 26 D 8.70 4.57 0.00 2.88 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 27 E 8.87 4.10 0.00 1.86 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 1.89 2.20 0.00 28 H 9.32 4.89 0.00 3.10 3.24 0.00 5.61 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 29 V 7.69 5.11 2.21 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 1.08 0.00 0.00 1.14 0.00 0.00 30 L 9.04 5.32 0.00 1.81 1.60 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.33 5.19 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 32 F 8.01 5.25 0.00 3.21 3.05 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 0.00 0.00 0.00 0.00 33 L 8.48 4.52 0.00 1.65 1.67 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.70 4.55 0.00 2.37 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 0.00 0.00 0.00 35 I 8.49 3.80 1.91 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 1.47 0.66 0.97 0.00 0.00 36 S 9.09 4.09 0.00 3.99 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 37 Q 7.98 3.23 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 38 V 7.62 3.82 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 0.84 0.00 0.00 0.71 0.00 0.00 39 T 7.45 4.94 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 1.33 0.00 0.00 40 K 8.38 4.13 0.00 1.34 1.58 0.00 0.93 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 0.91 7.81 41 G 9.35 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 0.00 0.00 0.00 42 H 8.01 4.25 0.00 3.28 3.25 0.00 5.55 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.18 5.06 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 1.22 0.00 0.00 44 L 8.56 5.02 0.00 0.47 1.01 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.32 4.78 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 1.05 0.00 0.00 0.88 0.00 0.00 46 I 8.74 5.32 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.56 0.00 0.00 47 P 0.00 4.98 0.00 2.19 2.17 0.00 4.22 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 48 K 9.00 4.39 0.00 1.72 1.97 0.00 1.89 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 49 V 7.78 3.83 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 0.73 0.00 0.00 0.99 0.00 0.00 50 H 8.76 4.43 0.00 3.23 3.37 0.00 5.86 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.01 4.59 0.00 1.76 1.65 0.00 1.94 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.29 7.81 52 Q 9.19 4.13 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.61 2.76 0.00 53 D 7.69 4.74 0.00 3.18 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 54 I 9.30 3.49 1.92 0.00 0.00 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 1.12 0.95 0.03 0.00 0.00 55 F 7.31 4.34 0.00 3.27 3.06 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 0.00 0.00 0.00 56 A 8.02 4.49 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 57 L 7.40 4.08 0.00 1.61 1.41 0.64 -0.49 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 58 T 8.09 4.35 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 1.21 0.00 0.00 59 P 0.00 4.13 0.00 2.14 2.11 0.00 3.59 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 2.09 2.12 0.00 60 E 8.14 3.83 0.00 2.05 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 2.39 2.49 0.00 61 I 7.75 3.70 1.81 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 1.46 0.69 0.88 0.00 0.00 62 A 8.05 3.85 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 63 S 8.23 4.04 0.00 3.90 3.86 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 64 H 7.76 4.23 0.00 3.30 3.41 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.02 3.95 2.12 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 1.16 0.00 0.00 66 F 8.39 4.06 0.00 3.21 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 67 S 8.31 4.17 0.00 4.06 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 68 V 7.20 3.86 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 69 V 7.16 3.36 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 0.61 0.00 0.00 0.85 0.00 0.00 70 P 0.00 3.97 0.00 2.03 1.92 0.00 3.53 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 71 K 7.78 3.77 0.00 1.70 1.69 0.00 1.48 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.41 7.81 72 I 7.41 3.57 1.74 0.00 0.00 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 1.31 0.49 0.91 0.00 0.00 73 A 8.18 3.69 0.78 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 0.00 0.00 74 N 8.32 4.10 0.00 2.80 2.78 0.00 0.00 6.94 7.15 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 75 A 8.07 3.90 1.37 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 76 I 7.92 3.78 2.08 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 1.19 0.00 0.00 77 K 8.15 4.04 0.00 1.78 1.86 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 78 A 8.57 4.00 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 79 E 7.64 4.10 0.00 1.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 80 F 7.83 4.99 0.00 3.30 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.14 4.22 0.00 2.97 2.91 0.00 0.00 6.94 7.65 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 82 P 0.00 4.29 0.00 2.19 1.43 0.00 3.96 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 83 V 8.18 3.96 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 0.75 0.00 0.00 0.93 0.00 0.00 84 G 7.46 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 85 F 8.32 4.98 0.00 2.94 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 86 N 8.70 5.20 0.00 2.25 2.42 0.00 0.00 6.63 6.84 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 87 L 8.47 5.23 0.00 1.57 1.64 1.11 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.67 4.79 0.00 1.34 1.18 1.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.67 5.09 0.00 2.57 2.57 0.00 0.00 6.91 7.79 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 90 N 8.66 4.89 0.00 2.62 2.83 0.00 0.00 6.87 8.00 0.00 0.00 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 N 8.95 4.93 0.00 2.64 2.73 0.00 0.00 7.41 7.65 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 92 G 9.55 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 93 E 9.39 4.18 0.00 2.32 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 2.47 2.50 0.00 94 K 8.18 4.25 0.00 1.84 1.87 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 95 A 8.42 4.57 1.37 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 96 G 8.16 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 97 Q 7.77 3.95 0.00 1.99 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 1.22 1.94 0.00 98 T 8.31 4.29 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 1.25 0.00 0.00 99 V 7.28 4.05 1.62 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 -0.33 0.00 0.00 0.65 0.00 0.00 100 F 8.53 4.52 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 7.63 5.09 0.00 3.18 3.26 0.00 5.95 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 0.00 102 F 9.32 4.20 0.00 3.05 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 0.00 103 H 7.28 4.90 0.00 2.99 3.23 0.00 5.56 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 0.00 104 L 8.41 4.60 0.00 1.66 1.63 1.30 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.21 4.99 0.00 2.95 3.07 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.30 4.83 0.00 1.77 1.82 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.00 4.34 1.30 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.49 0.60 0.00 0.00 108 P 0.00 4.01 0.00 1.68 2.04 0.00 3.48 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 109 R 8.39 4.56 0.00 1.69 1.75 0.00 3.33 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 0.00 110 Y 9.60 4.47 0.00 2.93 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 0.00 111 G 7.70 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.86 4.03 0.00 1.95 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 2.29 2.32 0.00 113 N 8.07 4.68 0.00 2.75 2.83 0.00 0.00 6.95 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 0.00 114 D 7.79 4.48 0.00 2.75 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 0.00 115 G 8.69 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 0.00 0.00 0.00 116 F 7.96 4.89 0.00 2.82 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 0.00 117 G 7.35 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 0.00 118 A 7.84 4.47 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.31 4.03 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 0.82 0.00 0.00 0.92 0.00 0.00 120 W 8.66 4.87 0.00 3.32 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 0.00 121 K 7.78 4.29 0.00 1.59 1.48 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.17 7.81 122 S 8.48 4.19 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.45 4.95 0.00 3.31 3.45 0.00 5.70 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 0.00 124 Q 8.43 4.08 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 125 N 8.17 4.60 0.00 2.76 2.86 0.00 0.00 6.87 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 E 8.21 4.29 0.00 1.74 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 0.00 2.22 2.25 0.00 127 Y 7.68 5.03 0.00 2.92 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 0.00 128 T 8.88 4.58 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 1.22 0.00 0.00 *130 E 9.05 4.24 0.00 2.06 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 0.00 2.29 2.36 0.00 131 N 8.34 4.40 0.00 3.17 3.08 0.00 0.00 7.05 6.22 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 0.00 132 L 7.99 3.94 0.00 1.71 1.68 0.91 0.68 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 0.00 133 Q 8.07 3.96 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 134 N 8.22 4.41 0.00 2.96 2.86 0.00 0.00 7.07 7.60 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 0.00 135 I 7.99 3.68 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.87 0.00 0.00 136 A 8.10 4.01 1.37 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 0.00 137 S 8.24 4.26 0.00 4.08 4.13 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 0.00 138 T 7.81 3.85 4.40 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 1.21 0.00 0.00 139 I 7.87 3.86 1.98 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 1.46 0.80 0.92 0.00 0.00 140 A 8.48 4.02 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 0.00 141 N 8.21 4.61 0.00 2.71 2.88 0.00 0.00 6.87 7.13 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 0.00 142 S 7.62 4.71 0.00 3.97 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 0.00 143 V 7.21 3.78 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 0.82 0.00 0.00 0.98 0.00 0.00 144 K 8.60 4.20 0.00 1.77 1.68 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.