NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3125 8.3149 120.1378 56.1238 33.5203 175.2487 7 L 4.4269 8.2265 121.4526 52.9317 42.9930 174.5487 8 H 5.0790 9.2393 116.3199 54.1216 33.1286 171.9529 9 K 4.7948 8.5841 119.3019 55.7024 33.5710 175.8573 10 E 4.8910 9.1156 122.3815 53.8100 33.8115 173.7742 11 P 4.9581 0.0000 0.0000 63.0615 32.2812 175.2587 12 A 4.9149 8.3393 122.3826 51.3371 23.2144 175.6921 13 T 4.5833 8.7170 115.0689 61.2965 72.0521 173.9059 14 L 4.1926 8.8018 128.7910 56.1009 42.2719 175.5121 15 I 4.3731 8.3249 125.8911 61.9504 39.0237 175.9572 16 K 4.4145 7.5253 118.9721 55.5374 35.3509 173.8162 17 A 4.5799 8.7862 130.2453 51.9475 19.5269 176.8043 18 I 4.2948 8.2991 121.3945 62.5445 39.6128 174.7800 19 D 4.6278 8.1811 117.6344 53.0031 44.2794 175.5444 20 G 3.7413 8.8024 108.5519 47.9946 0.0000 174.0884 21 D 4.8603 8.0502 116.8484 53.0240 40.2008 175.3332 22 T 5.2536 7.7378 115.6823 62.5177 72.9747 173.3151 23 V 4.7481 8.7583 118.5249 59.4524 36.6452 174.2742 24 K 5.0125 9.4431 125.8142 55.2098 33.6443 175.3082 25 L 5.3187 9.3559 127.0348 53.1572 46.4033 175.2924 26 M 4.9059 9.1144 121.3124 54.6255 33.6625 174.0945 27 Y 4.9586 9.2503 128.7715 55.8142 41.6289 175.8181 28 K 3.7384 9.0891 127.7178 57.6086 29.6336 175.5000 29 G 3.9040 8.2082 100.5712 46.1370 0.0000 172.8693 30 Q 4.4955 7.9747 120.5218 53.0113 31.2055 172.6310 31 P 5.0231 0.0000 0.0000 63.0034 31.9956 175.7164 32 M 4.9367 9.5053 123.4155 54.2478 37.3871 173.8233 33 T 4.8899 8.3898 117.1769 62.2781 71.0323 173.6552 34 F 5.1271 9.4383 124.9807 55.5916 42.0242 174.1731 35 R 4.9851 8.8898 123.8333 54.3121 32.1836 175.0799 36 L 4.5097 8.8751 127.6755 54.5085 41.8616 177.2166 37 L 3.8642 8.9006 124.9906 55.6297 42.8770 177.7646 38 L 3.9666 8.8115 120.0412 55.4161 39.5703 174.0104 39 V 4.9833 7.3559 110.5615 59.6249 35.5035 174.9371 40 D 4.9932 9.3947 124.8648 52.9760 42.8661 175.4898 41 T 4.7941 8.3307 113.7784 59.0733 71.3481 173.0066 42 P 4.3684 0.0000 0.0000 62.7076 32.3597 175.6702 43 E 4.7527 9.1113 121.3078 55.0416 31.9500 176.9343 44 T 4.2355 8.0236 110.6817 62.3650 70.4965 175.5413 45 K 4.5335 7.6851 119.2797 54.9467 32.2955 174.1850 46 H 5.3052 8.5292 121.7370 54.7822 31.1346 173.8453 47 P 3.8881 0.0000 0.0000 65.1848 31.7820 176.7756 48 K 4.2410 7.5348 118.3964 58.5452 32.9050 178.3867 49 K 4.1157 8.2131 116.5678 57.5683 33.5560 178.5345 50 G 3.8290 7.9928 107.8870 46.4299 0.0000 176.3164 51 V 4.1529 8.3685 130.5208 61.3716 31.3702 173.9486 52 E 4.4060 9.4348 128.8103 54.9331 31.4960 176.0910 53 K 4.1028 8.2354 122.9735 58.0520 32.6818 176.6111 54 Y 4.5938 8.1640 123.3095 59.5424 35.7639 171.1241 55 G 3.6750 8.2108 107.8556 47.4660 0.0000 174.3766 56 P 4.2823 0.0000 0.0000 64.8291 31.3060 178.7375 57 E 3.9835 8.1498 116.8141 59.5227 29.6470 178.9767 58 A 4.0330 8.5057 121.1836 55.1932 18.4121 179.6680 59 S 4.1153 8.4372 111.6331 61.5684 62.4447 176.3174 60 A 4.0517 8.4293 123.8762 54.8470 17.9925 179.3060 61 F 3.9364 8.6637 119.6265 61.7859 39.5303 177.2715 62 T 3.8908 8.0677 115.1844 66.6192 68.2577 176.1902 63 K 3.8229 7.9355 121.2036 59.5298 32.2002 178.5846 64 K 3.8290 8.1416 119.7660 59.6721 31.9022 178.3234 65 M 3.8233 7.7120 117.3438 58.7398 32.3288 178.1877 66 V 3.8384 7.8905 112.2775 63.9653 31.6886 178.4842 67 E 3.9836 8.3042 117.7655 58.9632 29.4262 177.4101 68 N 4.6728 7.8841 113.5657 52.8321 38.8431 175.0140 69 A 4.4891 7.4414 121.8057 51.8164 19.3359 178.3982 70 K 4.2015 9.0299 121.1958 58.3498 32.7997 178.0917 71 K 4.6646 8.5525 117.7970 54.5455 36.0770 175.5262 72 I 4.9390 8.4101 125.0808 59.6330 39.9801 174.4446 73 E 5.1720 9.2255 125.1827 54.6458 33.8728 174.9885 74 V 4.6274 8.8583 116.0589 59.4668 35.0663 174.5782 75 E 5.1177 8.7473 124.7716 53.2368 31.9664 175.0672 76 F 4.6664 8.8839 125.7454 57.6193 40.1162 175.8337 77 D 4.9314 8.5072 120.8825 53.5814 43.2154 176.3896 78 K 4.4982 8.9332 120.3659 56.9694 33.4905 177.3048 79 G 4.2198 8.0982 110.5851 44.9623 0.0000 173.7578 80 Q 4.1070 8.5327 120.7565 56.5274 29.3776 176.6203 81 R 4.5595 8.3852 117.5427 56.4792 31.0501 176.0933 82 T 5.0337 7.3962 107.3336 59.7554 71.9907 173.4383 83 D 4.7949 8.6465 123.9087 51.7327 41.6189 177.0600 84 K 3.9064 8.4464 117.1601 59.6314 32.4644 177.0502 85 Y 4.2405 8.0806 115.5202 57.8228 38.1319 176.1712 86 G 3.9251 8.3011 108.6078 45.1757 0.0000 173.6287 87 R 4.3523 8.7004 120.3492 54.9484 31.5442 176.5319 88 G 3.4200 8.2465 111.3668 46.2486 0.0000 172.3990 89 L 5.3370 8.8204 123.7302 53.0016 43.3833 175.6138 90 A 4.5152 8.4297 124.3679 50.8500 23.8152 173.8840 91 Y 4.8316 8.5475 116.9464 56.8924 39.7538 175.2675 92 I 4.7166 8.8361 126.0214 59.9802 39.5456 174.2465 93 Y 4.9737 9.2276 124.4989 56.0933 40.6769 174.5727 94 A 4.6973 9.3422 126.6879 49.9855 20.9242 176.2556 95 D 4.3549 9.6531 124.7170 56.3425 38.9004 175.8572 96 G 4.0194 8.4136 105.6907 45.3887 0.0000 173.6293 97 K 4.4815 8.0558 120.6245 54.9903 33.6491 175.4529 98 M 4.0439 8.4856 123.2578 54.9418 33.0805 177.0570 99 V 3.6296 8.6250 127.4524 66.0427 31.3074 177.5696 100 N 4.2951 8.0363 115.8007 56.5329 38.4816 176.8247 101 E 3.9206 8.0937 119.7697 58.9929 29.9611 178.2265 102 A 4.0837 8.1611 120.9410 55.3172 18.3879 179.6537 103 L 3.5091 7.9961 117.3135 57.7172 41.6177 179.8992 104 V 3.7086 7.4062 117.5606 66.1540 31.2984 178.0002 105 R 3.8762 8.2277 117.3519 59.1694 29.8993 177.4334 106 Q 4.3336 7.5361 114.8809 54.8468 29.0714 175.9044 107 G 3.9102 8.1127 108.7500 46.8118 0.0000 174.8101 108 L 4.5121 7.6299 116.6702 53.7456 42.2194 176.1604 109 A 4.5936 7.3772 118.3344 51.1168 22.0478 176.1561 110 K 4.8389 8.5910 119.1696 54.3898 35.4359 176.0611 111 V 4.3052 8.7380 123.6325 62.6105 31.7290 176.0084 112 A 4.9299 8.8717 130.5531 51.3453 19.3238 176.4659 113 Y 3.9965 8.7634 121.5594 57.5764 39.1929 175.8387 114 V 4.7056 7.9313 126.3706 60.2663 34.5436 174.0821 115 Y 4.8101 8.4812 117.3229 58.4698 42.8847 175.1470 116 N 3.5227 7.3256 116.3437 50.9432 37.5524 172.8811 117 P 4.2377 0.0000 0.0000 65.4289 31.3178 177.0135 118 N 4.8309 7.9020 118.4441 52.0777 36.8702 174.3466 119 N 5.1047 7.8428 113.1424 52.6779 39.4555 177.1367 120 T 3.8316 8.4641 117.4356 67.5787 68.7474 175.0622 121 H 4.8972 7.9884 116.4313 55.8049 29.3183 177.0091 122 E 3.9990 8.3649 123.5081 59.5316 29.3476 178.6558 123 Q 3.9853 8.0217 117.5906 59.2027 28.8427 177.8433 124 H 4.1412 8.2819 118.7291 59.5239 29.8688 177.1017 125 L 3.9640 7.9251 120.4426 57.8053 41.4499 179.7197 126 R 4.0037 8.1779 118.0364 58.9278 29.8911 179.3230 127 K 3.9714 8.0301 118.6387 59.5901 32.0173 179.6219 128 S 4.1278 7.8398 115.1029 61.3636 62.5802 176.3950 129 E 3.9698 8.3059 122.0681 59.1074 29.3981 178.6964 130 A 3.7197 7.9663 120.9573 54.8753 18.2923 179.4627 131 Q 3.7735 8.0153 117.8891 59.2988 29.2010 178.1676 132 A 3.9721 8.0553 121.9258 55.0144 18.3125 179.5095 133 K 2.9472 7.7527 118.2302 59.2063 31.9264 178.8663 134 K 3.7925 7.5942 118.4783 59.4517 32.2004 177.7901 135 E 4.1637 8.2885 115.8952 55.6320 29.9939 176.3781 136 K 4.1088 8.1078 118.6104 57.3113 30.4426 175.1150 137 L 4.3901 8.0892 118.2824 55.4612 44.0781 179.4660 138 N 3.5146 9.1456 117.5115 54.2823 38.9691 176.1845 139 I 3.0626 5.4200 124.8135 64.4478 37.9783 177.1644 140 W 4.7340 7.9947 117.4719 56.4101 29.0946 176.3174 141 S 4.4231 7.8259 116.4136 58.6529 62.1810 174.9050 *142 E 4.1354 8.6427 120.6721 55.9813 30.1640 172.3027 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 6 K 8.31 4.31 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 7 L 8.23 4.43 0.00 1.89 1.73 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.24 5.08 0.00 3.19 3.34 0.00 5.46 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.58 4.79 0.00 1.55 1.67 0.00 1.35 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.23 7.81 10 E 9.12 4.89 0.00 2.07 1.95 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 2.24 2.25 0.00 11 P 0.00 4.96 0.00 1.95 1.99 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 12 A 8.34 4.91 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 13 T 8.72 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 14 L 8.80 4.19 0.00 1.62 1.58 0.91 1.03 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 15 I 8.32 4.37 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.94 0.00 0.00 16 K 7.53 4.41 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.39 7.81 17 A 8.79 4.58 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 18 I 8.30 4.29 2.02 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 1.31 0.72 0.91 0.00 0.00 19 D 8.18 4.63 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.80 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 0.00 0.00 0.00 21 D 8.05 4.86 0.00 2.90 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 22 T 7.74 5.25 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 1.29 0.00 0.00 23 V 8.76 4.75 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 0.69 0.00 0.00 0.93 0.00 0.00 24 K 9.44 5.01 0.00 1.84 1.80 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.54 7.81 25 L 9.36 5.32 0.00 1.74 1.55 0.36 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.11 4.91 0.00 2.13 2.00 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 2.56 2.54 0.00 27 Y 9.25 4.96 0.00 3.33 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 28 K 9.09 3.74 0.00 1.35 1.61 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.06 0.48 7.81 29 G 8.21 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.97 4.50 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 31 P 0.00 5.02 0.00 2.02 2.03 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 32 M 9.51 4.94 0.00 1.69 2.02 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.54 0.00 33 T 8.39 4.89 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 1.22 0.00 0.00 34 F 9.44 5.13 0.00 3.05 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 35 R 8.89 4.99 0.00 1.89 1.78 0.00 3.35 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 36 L 8.88 4.51 0.00 1.53 1.60 0.93 0.95 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 37 L 8.90 3.86 0.00 1.01 1.17 0.08 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.81 3.97 0.00 2.00 1.83 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.36 4.98 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 0.95 0.00 0.00 40 D 9.39 4.99 0.00 2.53 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 41 T 8.33 4.79 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 1.20 0.00 0.00 42 P 0.00 4.37 0.00 2.21 2.12 0.00 3.53 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 43 E 9.11 4.75 0.00 2.22 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 2.24 2.38 0.00 44 T 8.02 4.24 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 1.20 0.00 0.00 45 K 7.69 4.53 0.00 1.82 1.83 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.35 7.81 46 H 8.53 5.31 0.00 3.34 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 3.89 0.00 1.87 1.93 0.00 3.29 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 48 K 7.53 4.24 0.00 1.70 1.86 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 K 8.21 4.12 0.00 1.73 1.83 0.00 1.80 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 50 G 7.99 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 0.00 0.00 0.00 51 V 8.37 4.15 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 0.81 0.00 0.00 0.98 0.00 0.00 52 E 9.43 4.41 0.00 1.89 1.80 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 2.23 2.20 0.00 53 K 8.24 4.10 0.00 1.65 1.63 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.73 1.18 7.81 54 Y 8.16 4.59 0.00 3.16 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 55 G 8.21 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 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.16 2.11 0.00 3.57 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 2.08 2.16 0.00 57 E 8.15 3.98 0.00 2.39 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 2.57 2.51 0.00 58 A 8.51 4.03 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 59 S 8.44 4.12 0.00 4.02 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 60 A 8.43 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.66 3.94 0.00 3.19 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 62 T 8.07 3.89 4.30 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 1.24 0.00 0.00 63 K 7.94 3.82 0.00 1.97 2.03 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.55 7.81 64 K 8.14 3.83 0.00 1.89 1.73 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.49 1.38 7.81 65 M 7.71 3.82 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 66 V 7.89 3.84 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 0.94 0.00 0.00 1.01 0.00 0.00 67 E 8.30 3.98 0.00 2.04 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 2.33 2.36 0.00 68 N 7.88 4.67 0.00 2.74 2.80 0.00 0.00 7.00 7.36 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 69 A 7.44 4.49 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 70 K 9.03 4.20 0.00 1.91 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.64 7.81 71 K 8.55 4.66 0.00 1.67 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.41 4.94 1.85 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 1.32 1.02 0.84 0.00 0.00 73 E 9.23 5.17 0.00 1.93 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 2.21 2.26 0.00 74 V 8.86 4.63 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 -0.02 0.00 0.00 0.70 0.00 0.00 75 E 8.75 5.12 0.00 2.27 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 0.00 2.46 2.39 0.00 76 F 8.88 4.67 0.00 3.05 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 77 D 8.51 4.93 0.00 2.65 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 78 K 8.93 4.50 0.00 1.84 1.92 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 79 G 8.10 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 0.00 0.00 0.00 0.00 80 Q 8.53 4.11 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 81 R 8.39 4.56 0.00 1.58 1.41 0.00 2.62 0.00 0.00 2.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 82 T 7.40 5.03 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 1.14 0.00 0.00 83 D 8.65 4.79 0.00 2.89 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 K 8.45 3.91 0.00 1.64 1.85 0.00 1.33 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.13 0.53 7.81 85 Y 8.08 4.24 0.00 3.12 3.02 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 86 G 8.30 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 87 R 8.70 4.35 0.00 2.03 1.81 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 88 G 8.25 3.42 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 0.00 89 L 8.82 5.34 0.00 1.53 1.58 0.92 0.57 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 90 A 8.43 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.55 4.83 0.00 3.00 2.65 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 92 I 8.84 4.72 1.76 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.84 0.00 0.00 93 Y 9.23 4.97 0.00 2.89 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 94 A 9.34 4.70 1.19 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 0.00 0.00 0.00 95 D 9.65 4.35 0.00 2.82 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 96 G 8.41 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.06 4.48 0.00 1.90 1.77 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.49 4.04 0.00 1.93 1.67 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.34 0.00 99 V 8.63 3.63 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 1.03 0.00 0.00 0.93 0.00 0.00 100 N 8.04 4.30 0.00 2.89 2.93 0.00 0.00 6.78 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 0.00 101 E 8.09 3.92 0.00 1.97 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 2.25 2.24 0.00 102 A 8.16 4.08 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.00 3.51 0.00 1.85 1.62 1.01 0.85 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 0.00 104 V 7.41 3.71 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 1.18 0.00 0.00 0.98 0.00 0.00 105 R 8.23 3.88 0.00 2.01 2.10 0.00 3.34 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.54 4.33 0.00 1.61 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.42 0.00 0.00 0.00 0.00 0.00 2.33 1.89 0.00 107 G 8.11 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.63 4.51 0.00 1.32 1.48 0.48 0.60 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 0.00 109 A 7.38 4.59 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 0.00 110 K 8.59 4.84 0.00 1.70 1.78 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.13 7.81 111 V 8.74 4.31 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 0.79 0.00 0.00 0.98 0.00 0.00 112 A 8.87 4.93 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 0.00 113 Y 8.76 4.00 0.00 2.95 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 0.00 114 V 7.93 4.71 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 0.93 0.00 0.00 115 Y 8.48 4.81 0.00 3.03 3.07 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 0.00 116 N 7.33 3.52 0.00 2.51 2.38 0.00 0.00 6.00 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 0.00 117 P 0.00 4.24 0.00 2.16 2.18 0.00 3.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 118 N 7.90 4.83 0.00 2.88 2.78 0.00 0.00 6.71 8.16 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 0.00 119 N 7.84 5.10 0.00 2.84 2.93 0.00 0.00 6.08 7.22 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 0.00 120 T 8.46 3.83 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 1.09 0.00 0.00 121 H 7.99 4.90 0.00 3.00 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.36 4.00 0.00 2.19 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 2.32 2.37 0.00 123 Q 8.02 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 H 8.28 4.14 0.00 3.21 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.93 3.96 0.00 1.93 1.72 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.18 4.00 0.00 1.99 1.96 0.00 3.11 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 127 K 8.03 3.97 0.00 2.00 1.83 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.66 7.81 128 S 7.84 4.13 0.00 3.90 3.87 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 0.00 129 E 8.31 3.97 0.00 2.18 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 0.00 2.23 2.67 0.00 130 A 7.97 3.72 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 0.00 131 Q 8.02 3.77 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 132 A 8.06 3.97 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.75 2.95 0.00 1.03 1.38 0.00 1.14 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.83 0.21 7.81 134 K 7.59 3.79 0.00 1.80 1.95 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.29 4.16 0.00 1.96 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 2.32 2.56 0.00 136 K 8.11 4.11 0.00 1.98 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.40 7.81 137 L 8.09 4.39 0.00 1.81 1.70 0.92 0.84 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 0.00 138 N 9.15 3.51 0.00 2.52 1.50 0.00 0.00 7.13 7.49 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 0.00 139 I 5.42 3.06 1.17 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.10 -0.28 0.00 0.00 140 W 7.99 4.73 0.00 3.32 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 0.00 141 S 7.83 4.42 0.00 4.06 4.05 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 *142 E 8.64 4.14 0.00 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.