NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7897 8.3549 109.7375 45.2468 0.0000 175.0711 *2 L 4.1743 8.5036 117.6931 53.3496 43.6198 176.0060 3 P 4.2505 0.0000 0.0000 66.7443 31.1135 178.4397 4 D 4.6213 8.0424 115.0856 54.5184 40.1039 179.2669 5 D 4.7554 8.1484 117.4672 54.9888 41.4037 175.9459 6 V 4.1472 7.2482 119.1248 62.7494 32.7514 175.5450 7 N 4.2589 8.3149 123.9056 53.6613 36.2626 175.6457 8 Q 4.0829 7.5998 117.2950 55.5646 30.6875 176.0428 9 A 3.9101 8.7777 127.3550 56.1011 18.3063 179.3709 10 D 4.3098 8.0314 115.6863 57.4054 41.0121 179.2953 11 V 3.6969 7.7248 118.2527 65.9452 31.6644 177.7085 12 L 3.7423 8.0371 119.9135 57.9070 41.9762 178.8062 13 A 3.9361 8.0996 120.8793 55.1701 18.3000 179.4227 14 D 4.2442 7.8387 117.1119 57.5081 40.8575 179.2259 15 V 2.4318 7.1291 118.6587 65.5385 31.3022 178.2581 16 T 3.5971 7.5720 115.3966 66.4109 68.3226 176.3097 17 A 4.0689 7.7571 121.9543 55.2369 18.3175 179.5406 18 A 3.9372 7.6570 119.1397 55.1305 18.3956 179.5962 19 F 3.9924 7.8166 119.3211 61.7742 39.4224 177.0717 20 Y 4.0344 8.1210 116.2450 60.7314 37.6137 178.2038 21 R 3.9530 8.2643 120.0124 59.5232 30.1232 177.9165 22 Y 4.0195 8.4000 119.5893 60.7006 38.9532 177.5742 23 E 3.8045 8.1036 120.2492 58.9604 29.5902 178.8760 24 K 3.8636 8.0769 119.4564 59.4830 32.3187 178.6430 25 A 3.9019 7.8042 121.0798 54.9468 18.0807 179.3891 26 L 3.6378 7.8162 119.3019 58.5187 42.0187 179.3914 27 T 4.0516 7.6257 107.7667 63.6899 68.9023 175.7877 28 G 3.8185 7.7632 106.2689 43.0802 0.0000 172.6485 29 N 4.0297 7.5035 117.9485 54.5211 37.9832 176.1406 30 D 4.5836 8.0623 118.1485 52.4943 39.3727 174.7295 31 V 3.4838 7.9137 123.2786 65.5134 31.7338 176.7626 32 A 3.9730 7.9070 119.7392 55.3576 18.2704 179.7047 33 V 3.6249 7.8949 116.1838 66.0383 31.4798 177.8749 34 L 4.0658 7.9285 118.1456 57.9334 41.4376 178.8086 35 D 4.5033 8.4865 118.1649 57.1407 40.9850 177.6419 36 E 4.0785 8.0936 118.7887 59.6077 30.0081 178.7114 37 L 4.3506 8.5436 117.7993 55.7896 41.8686 176.4719 38 F 4.8555 7.4397 117.7535 55.3548 40.5465 175.8009 39 W 4.3747 8.8815 133.6572 58.2832 31.1121 176.1589 40 H 4.5851 8.9791 128.0893 54.6042 28.0536 172.9833 41 D 4.3825 7.8553 121.3149 51.8966 44.3976 175.5511 42 E 3.9017 8.6653 121.1308 59.0197 29.6116 178.6761 43 K 4.2443 8.0939 117.3054 57.3162 32.8649 177.2343 44 T 4.5987 7.3949 116.8131 63.2503 69.7368 173.2372 45 V 4.5398 8.3732 124.5053 60.9308 35.0676 173.9672 46 R 4.7762 8.5088 127.2921 54.8543 33.0175 173.5027 47 Y 4.8001 8.6829 125.9638 57.0665 39.2861 175.8361 48 G 4.0948 8.9643 113.2384 43.5885 0.0000 172.6420 49 A 4.3354 8.9457 121.9180 54.7686 18.3418 178.9887 50 G 4.2860 7.5825 101.0498 44.5122 0.0000 171.9805 51 E 4.6658 7.7941 114.9237 54.8804 31.8833 173.3704 52 N 5.2494 8.7117 118.1619 51.6554 40.9115 173.8452 53 L 4.9659 8.6877 124.1391 52.9524 45.0570 175.1444 54 Y 4.7246 9.0608 121.1491 57.2651 40.4780 176.9346 55 G 4.0714 9.5100 109.2403 46.7312 0.0000 174.2299 56 I 3.6765 7.8580 119.2169 63.4710 37.8251 178.2479 57 E 3.8602 7.9735 119.9943 59.3230 29.5909 178.4609 58 E 3.9972 8.0969 118.0907 59.5427 29.7152 179.2053 59 I 3.6694 7.5844 119.3287 64.3729 37.0702 178.7910 60 R 3.8727 8.2748 118.8517 59.0108 29.8845 178.5647 61 A 3.9648 7.9389 120.6834 55.3469 18.3538 179.1877 62 F 4.0724 8.3247 118.8392 61.7305 39.1674 177.4464 63 R 3.5771 7.6118 115.6121 59.3621 29.9742 178.8489 64 L 4.0528 7.5052 116.4699 57.1430 41.7223 178.7856 65 A 4.1020 7.7431 119.6843 52.8847 18.9526 177.8146 66 R 3.7730 6.9235 118.1200 55.1799 30.6733 174.5900 67 P 4.3805 0.0000 0.0000 62.6357 31.8912 176.6659 68 S 4.3255 8.4192 115.2957 59.0475 63.6414 174.5646 69 A 3.9699 7.8399 125.5571 53.2852 18.0851 177.4931 70 G 4.5601 8.9009 108.8333 46.4515 0.0000 175.6953 71 L 4.0509 7.3362 120.6890 56.7160 41.7860 177.6531 72 D 4.4870 7.1996 118.7446 54.4266 41.6347 174.8515 73 R 4.8487 8.0604 119.1427 55.4469 32.7461 173.3713 74 A 4.8600 8.6838 121.3948 50.2506 21.2585 176.2879 75 L 5.0286 8.6431 122.1571 54.4964 43.6268 176.2567 76 R 4.5577 9.2605 120.5245 55.7589 34.0256 174.5877 77 N 4.2838 8.6923 121.5681 54.6733 36.0937 174.7037 78 T 4.4671 7.8622 113.6140 63.2169 69.9130 175.6255 79 V 4.3164 8.7275 126.2865 61.0270 34.4728 174.0557 80 I 4.7129 8.2705 128.1258 59.7289 39.7129 175.0630 81 T 4.7427 8.7490 123.5559 61.7905 72.1535 173.1234 82 T 4.6557 8.8875 116.4322 60.0677 70.9086 173.0235 83 Y 4.5159 8.2786 120.6047 56.8094 40.5649 175.3856 84 G 3.8463 8.8506 115.9938 47.0843 0.0000 173.3459 85 H 4.8992 8.6901 117.4179 55.6183 30.1311 175.2710 86 D 4.3237 7.4991 120.0762 52.1228 39.5381 173.9941 *88 A 4.7287 7.4796 122.0842 52.5530 21.2865 176.9124 89 V 4.9534 8.8401 118.9953 61.0406 34.6147 174.1221 90 A 4.9911 9.2218 130.1669 50.2527 20.8079 175.6795 91 S 5.0752 8.7112 118.7160 57.3370 66.8586 173.2375 92 T 4.9111 8.8224 115.4829 61.4784 71.1664 172.3000 93 E 5.0925 9.3656 127.0278 55.5097 32.0230 174.9325 94 F 5.6988 8.9957 116.9814 56.1820 42.3049 172.9106 95 T 5.1525 9.0254 108.4072 60.5443 72.5074 172.7641 96 R 5.0403 8.4276 119.7117 54.3497 33.8658 176.7410 97 T 3.8498 9.0471 112.6430 64.9507 68.7391 175.8499 98 G 3.6011 8.1766 112.5041 49.1457 0.0000 174.8146 99 S 4.4370 7.5547 118.9532 58.1864 63.0058 176.7996 100 T 4.4686 8.2800 112.8594 62.8143 69.9056 177.0080 101 K 4.1999 7.9027 120.7095 55.0318 32.3264 180.6459 102 I 4.2353 8.1688 123.4411 59.7000 38.2869 175.5077 103 G 3.0862 8.4462 114.7576 44.5004 0.0000 172.7296 104 R 5.1443 8.5805 121.1969 54.2262 34.4089 174.3211 105 Q 5.4684 9.1327 123.0148 53.4127 33.7693 173.3168 *107 Q 4.4083 8.3803 117.9491 56.0065 30.6918 174.7165 108 T 5.0173 8.4141 119.5575 61.8097 70.8079 173.2189 109 W 5.2516 9.3351 127.3919 55.0439 31.4145 176.0507 110 V 4.7808 8.8540 123.2840 61.0320 34.2042 174.8313 111 K 3.5985 7.8682 128.6407 55.1098 32.4585 174.8826 *113 P 4.3787 0.0000 0.0000 62.1250 33.1299 177.6358 114 E 4.1462 8.6386 114.0592 56.6074 30.2195 175.6842 115 G 4.2391 7.9850 104.8237 42.3775 0.0000 172.9850 116 W 4.4884 8.4841 120.5272 57.1482 29.6031 176.2292 117 R 4.9964 9.1550 121.0043 54.4699 34.3347 174.3839 118 I 3.4631 8.0837 124.5538 60.8990 37.4030 176.9848 119 V 4.2049 8.4774 120.5191 62.4530 33.3880 175.9348 120 A 4.8826 7.3032 120.5937 50.7247 22.5576 175.0787 121 A 4.8332 8.9961 122.9672 50.5177 23.2514 174.7279 122 H 5.2970 8.8326 119.5361 54.6435 33.0294 171.9860 123 V 5.0131 9.3204 126.8818 61.4093 33.6965 174.6576 124 S 4.6803 9.0795 120.4023 57.3919 66.4889 173.7871 125 L 4.9418 8.4293 122.8421 55.3955 41.4579 177.7495 *127 S 4.2610 8.6525 121.8351 59.4129 62.9258 171.2694 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 0 G 8.35 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 *2 L 8.50 4.17 0.00 1.89 1.65 0.93 0.91 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 3 P 0.00 4.25 0.00 2.22 2.33 0.00 3.70 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 2.08 1.98 0.00 4 D 8.04 4.62 0.00 2.72 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 5 D 8.15 4.76 0.00 2.85 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 6 V 7.25 4.15 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 0.60 0.00 0.00 0.99 0.00 0.00 7 N 8.31 4.26 0.00 2.81 2.75 0.00 0.00 6.99 7.20 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 8 Q 7.60 4.08 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 9 A 8.78 3.91 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 10 D 8.03 4.31 0.00 2.79 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 11 V 7.72 3.70 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 1.25 0.00 0.00 1.07 0.00 0.00 12 L 8.04 3.74 0.00 1.81 1.72 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.10 3.94 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 14 D 7.84 4.24 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.13 2.43 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 0.07 0.00 0.00 -1.04 0.00 0.00 16 T 7.57 3.60 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 17 A 7.76 4.07 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 18 A 7.66 3.94 0.93 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 19 F 7.82 3.99 0.00 2.57 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 20 Y 8.12 4.03 0.00 3.15 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 21 R 8.26 3.95 0.00 2.12 2.21 0.00 3.19 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 22 Y 8.40 4.02 0.00 3.46 3.21 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 0.00 23 E 8.10 3.80 0.00 1.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 24 K 8.08 3.86 0.00 1.90 1.99 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 25 A 7.80 3.90 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 26 L 7.82 3.64 0.00 1.35 1.60 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.63 4.05 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 1.25 0.00 0.00 28 G 7.76 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 29 N 7.50 4.03 0.00 2.69 2.78 0.00 0.00 7.03 9.28 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 30 D 8.06 4.58 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.91 3.48 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 1.04 0.00 0.00 0.85 0.00 0.00 32 A 7.91 3.97 1.38 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 0.00 0.00 0.00 33 V 7.89 3.62 2.20 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 1.21 0.00 0.00 0.99 0.00 0.00 34 L 7.93 4.07 0.00 1.80 1.73 0.81 0.60 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 35 D 8.49 4.50 0.00 2.89 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 36 E 8.09 4.08 0.00 2.09 2.29 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 2.47 2.47 0.00 37 L 8.54 4.35 0.00 2.19 1.97 1.29 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.44 4.86 0.00 2.89 3.03 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 39 W 8.88 4.37 0.00 3.17 3.13 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 40 H 8.98 4.59 0.00 3.23 3.22 0.00 6.00 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.86 4.38 0.00 1.58 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 0.00 0.00 0.00 0.00 42 E 8.67 3.90 0.00 2.08 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 0.00 2.25 2.21 0.00 43 K 8.09 4.24 0.00 1.68 1.99 0.00 1.90 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 44 T 7.39 4.60 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 45 V 8.37 4.54 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 0.08 0.00 0.00 0.91 0.00 0.00 46 R 8.51 4.78 0.00 1.92 1.54 0.00 2.83 0.00 0.00 2.78 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 47 Y 8.68 4.80 0.00 2.73 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 48 G 8.96 4.09 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 0.00 49 A 8.95 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.58 4.29 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 0.00 51 E 7.79 4.67 0.00 2.07 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 0.00 1.96 2.10 0.00 52 N 8.71 5.25 0.00 2.72 2.92 0.00 0.00 6.76 7.85 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 53 L 8.69 4.97 0.00 1.41 1.42 0.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.06 4.72 0.00 2.83 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 55 G 9.51 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.86 3.68 1.70 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 1.25 1.34 0.59 0.00 0.00 57 E 7.97 3.86 0.00 2.03 1.90 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 2.37 2.38 0.00 58 E 8.10 4.00 0.00 2.14 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 2.43 2.46 0.00 59 I 7.58 3.67 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.18 0.51 0.00 0.00 60 R 8.27 3.87 0.00 2.02 1.96 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 61 A 7.94 3.96 1.42 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 0.00 0.00 62 F 8.32 4.07 0.00 3.10 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 63 R 7.61 3.58 0.00 1.92 1.88 0.00 3.33 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 64 L 7.51 4.05 0.00 1.56 1.67 0.90 1.06 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 65 A 7.74 4.10 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 66 R 6.92 3.77 0.00 0.96 1.51 0.00 2.76 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 67 P 0.00 4.38 0.00 2.05 1.93 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 68 S 8.42 4.33 0.00 3.93 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 69 A 7.84 3.97 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 70 G 8.90 4.56 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 0.00 0.00 0.00 71 L 7.34 4.05 0.00 1.49 1.69 0.85 0.90 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 72 D 7.20 4.49 0.00 2.80 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 73 R 8.06 4.85 0.00 2.06 1.81 0.00 2.21 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 74 A 8.68 4.86 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 75 L 8.64 5.03 0.00 1.73 1.80 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 R 9.26 4.56 0.00 1.90 1.76 0.00 3.26 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 77 N 8.69 4.28 0.00 2.92 2.87 0.00 0.00 7.04 7.54 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 78 T 7.86 4.47 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 79 V 8.73 4.32 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 1.02 0.00 0.00 0.95 0.00 0.00 80 I 8.27 4.71 1.60 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.37 0.53 0.00 0.00 81 T 8.75 4.74 4.12 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 0.82 0.00 0.00 82 T 8.89 4.66 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 0.96 0.00 0.00 83 Y 8.28 4.52 0.00 2.93 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 84 G 8.85 3.85 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 85 H 8.69 4.90 0.00 3.30 3.45 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.50 4.32 0.00 2.76 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 0.00 0.00 0.00 0.00 *88 A 7.48 4.73 1.17 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 89 V 8.84 4.95 2.25 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 1.06 0.00 0.00 1.04 0.00 0.00 90 A 9.22 4.99 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 91 S 8.71 5.08 0.00 3.72 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 92 T 8.82 4.91 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 1.53 0.00 0.00 93 E 9.37 5.09 0.00 2.10 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 2.22 2.24 0.00 94 F 9.00 5.70 0.00 3.19 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 9.03 5.15 4.29 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 1.22 0.00 0.00 96 R 8.43 5.04 0.00 1.81 1.86 0.00 3.24 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 97 T 9.05 3.85 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 1.23 0.00 0.00 98 G 8.18 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.55 4.44 0.00 3.54 3.67 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 0.00 100 T 8.28 4.47 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 0.00 101 K 7.90 4.20 0.00 1.77 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.03 7.81 102 I 8.17 4.24 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.23 0.80 0.00 0.00 103 G 8.45 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 0.00 0.00 0.00 104 R 8.58 5.14 0.00 1.68 1.75 0.00 3.03 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 105 Q 9.13 5.47 0.00 2.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 *107 Q 8.38 4.41 0.00 2.27 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.63 0.00 0.00 0.00 0.00 0.00 2.12 2.44 0.00 108 T 8.41 5.02 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 1.28 0.00 0.00 109 W 9.34 5.25 0.00 3.12 3.43 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 0.00 0.00 0.00 0.00 110 V 8.85 4.78 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 0.77 0.00 0.00 0.82 0.00 0.00 111 K 7.87 3.60 0.00 0.79 0.83 0.00 1.09 0.00 0.00 1.28 0.00 0.00 2.61 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.91 0.40 7.81 *113 P 0.00 4.38 0.00 2.10 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 114 E 8.64 4.15 0.00 2.12 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 2.31 2.32 0.00 115 G 7.98 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 0.00 0.00 0.00 0.00 116 W 8.48 4.49 0.00 3.48 3.54 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 0.00 0.00 0.00 0.00 117 R 9.16 5.00 0.00 1.63 1.77 0.00 3.50 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 118 I 8.08 3.46 0.56 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.17 0.00 0.00 119 V 8.48 4.20 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 0.42 0.00 0.00 0.85 0.00 0.00 120 A 7.30 4.88 1.11 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 0.00 121 A 9.00 4.83 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 0.00 122 H 8.83 5.30 0.00 3.24 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.32 5.01 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 1.16 0.00 0.00 1.08 0.00 0.00 124 S 9.08 4.68 0.00 3.91 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 0.00 125 L 8.43 4.94 0.00 1.63 1.40 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *127 S 8.65 4.26 0.00 3.65 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 * Residues marked with a * may have inaccurate shift predictions.