NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 F 4.9959 8.3093 119.3815 57.0448 41.0752 174.6739 7 S 4.5988 7.8349 112.6785 54.7671 66.2082 172.0142 8 K 4.1245 8.5525 122.8466 56.4884 33.3809 178.3482 9 D 4.9801 8.7871 122.4181 55.9626 41.1488 176.4944 10 I 4.6331 7.4530 108.3762 60.7337 38.7306 175.9360 11 R 3.9063 7.4246 120.9800 59.5524 29.9812 177.0665 12 D 4.7252 7.3819 116.2994 54.2247 42.4381 175.5474 13 Y 4.9354 7.9937 118.5177 56.5206 38.1522 176.4772 14 S 4.6762 10.0699 122.1800 57.2050 65.6984 175.0562 15 G 3.8198 8.7078 109.6829 48.4729 0.0000 175.9210 16 L 4.1750 7.8887 119.5353 57.2410 41.9094 179.2438 17 E 4.1852 7.9021 118.3414 59.4119 29.5598 179.0201 18 L 3.9382 8.3568 119.0813 58.0637 41.8162 179.6724 19 A 4.2772 8.6810 120.5386 54.8754 17.7887 179.5609 20 F 4.1747 8.2827 119.6105 61.3768 39.6058 177.2168 21 L 3.8193 8.0068 119.6783 58.0968 42.0020 178.9369 22 G 3.6371 8.5165 106.0406 47.7422 0.0000 175.1278 23 D 4.5488 8.4057 121.3755 56.3845 41.1268 178.2782 24 A 3.9241 7.2655 121.3073 55.0724 18.4187 179.5951 25 I 3.5373 7.4673 118.1146 64.2615 37.0806 178.4346 26 W 4.1423 8.5233 129.3610 60.4435 30.3958 177.7772 27 E 4.0022 8.1357 118.6607 59.3265 28.9970 178.7346 28 L 3.9753 8.0015 120.1908 58.4254 42.2268 178.9659 29 E 3.8443 8.2168 118.1034 59.4501 29.2876 179.4177 30 I 3.5915 7.7417 119.9776 64.4399 37.1199 178.6664 31 R 4.0361 8.7580 119.4857 59.2584 29.7184 178.7520 32 K 3.7932 8.2304 118.4088 60.3598 32.1217 177.4740 33 Y 4.0966 7.7161 118.3089 60.7486 39.0446 177.1895 34 Y 4.3630 7.9454 118.0256 60.4350 37.8564 177.8271 35 L 4.2391 7.9372 120.4048 55.3200 41.6084 176.6980 36 Q 4.3630 7.5105 111.9657 55.4174 28.9819 175.7159 37 F 4.4972 7.7539 115.5459 56.6962 39.4709 175.5984 38 G 3.8933 7.8094 108.1622 46.6382 0.0000 173.8628 39 Y 4.5973 7.8151 115.9451 57.2675 38.8968 176.0253 40 N 4.7836 8.4972 119.4168 52.4386 40.0333 175.1969 41 I 3.5468 8.3799 120.0548 64.7996 37.1346 176.1931 42 P 4.1170 0.0000 0.0000 66.5343 30.8438 178.6405 43 T 3.4006 7.5444 114.5687 65.9480 68.5348 176.3520 44 L 3.9336 8.0023 122.6032 58.5029 42.0663 178.9251 45 N 4.3251 8.3339 116.4576 55.9481 38.5375 177.3523 46 K 3.8159 7.5233 120.7367 59.6319 32.1651 178.5815 47 Y 4.0878 7.6465 117.0771 60.9043 37.5718 178.2346 48 V 3.8062 7.7941 119.2377 66.1525 31.6504 178.3102 49 K 4.1172 8.3493 117.8727 59.1468 31.6310 179.2092 50 A 4.1013 7.7517 120.0171 54.0273 18.3377 178.6381 51 K 4.2107 7.5714 112.8032 56.4908 33.2376 177.6443 52 V 4.4438 7.4916 118.5321 63.6910 32.4977 175.8106 53 N 4.4899 7.6978 115.3791 52.8438 37.9234 175.6714 54 A 3.9655 8.5774 120.6335 55.0337 18.2082 179.9734 55 K 3.9558 8.1586 117.2683 59.5970 32.5369 177.8343 56 Y 4.3846 8.6496 120.0284 60.5174 38.9287 177.2191 57 Q 3.6982 7.9221 118.6127 59.0277 28.7825 179.4916 58 S 4.0945 7.8565 115.7837 61.3463 62.6342 176.4825 59 L 3.9608 7.4285 120.6799 57.8594 41.7098 179.2625 60 I 3.7185 7.2882 119.0871 64.4257 37.1714 177.5641 61 Y 3.8741 7.8288 120.1135 60.4052 39.0303 179.0209 62 K 4.6208 8.3975 119.1612 55.3846 31.3787 176.8192 63 K 4.5990 7.5408 118.8169 56.8835 39.3999 175.5964 64 I 4.2905 7.5220 110.0750 60.4145 38.9192 177.3361 65 I 3.4663 7.5020 122.3377 64.3196 37.7484 177.6108 66 N 4.4549 7.9840 115.1286 55.3490 38.4628 175.3177 67 D 4.8576 7.4998 115.6711 53.6865 41.3991 175.5113 68 L 4.6380 7.4705 121.1659 53.3182 43.7378 176.6823 69 D 4.6209 8.6948 123.5780 54.5238 42.9039 177.7239 70 E 3.9675 8.7394 120.7939 59.6263 28.8983 179.3748 71 E 3.7991 7.9424 118.9713 58.9086 29.6152 178.4241 72 F 4.6038 7.6422 116.9641 59.8002 39.3776 178.0047 73 K 4.0763 8.3874 118.1028 59.0570 31.7515 179.3480 74 V 3.7542 7.7184 118.3158 65.6324 31.2070 178.0850 75 I 3.9179 7.5722 119.0496 64.2610 36.8803 178.6590 76 G 3.8299 8.4795 106.7661 47.5402 0.0000 175.8700 77 K 4.0646 8.0493 122.4251 58.9639 32.0644 178.5000 78 R 4.2207 8.0648 113.8519 57.4534 30.1057 177.4449 79 A 4.3985 7.4693 120.2778 53.6644 19.3414 179.2013 80 K 4.0881 8.1483 116.0391 58.6877 32.2368 177.5786 81 N 4.9007 7.3409 111.3731 52.9073 38.8686 176.0521 82 S 4.2280 7.7556 114.2671 60.9131 63.6371 174.2829 83 N 4.4489 7.9424 120.6296 53.4614 39.0857 174.5279 84 I 4.7792 8.1293 120.7580 60.3265 41.7125 175.8148 85 K 3.9880 8.3331 117.6784 56.2266 30.9143 177.5565 *88 P 3.6200 0.0000 0.0000 62.8534 31.6579 174.6050 89 R 4.3481 7.9925 124.4472 56.7233 33.1256 175.6415 90 S 4.4961 8.2179 110.4852 58.2416 63.5187 172.5698 91 C 4.5720 7.2678 114.7755 57.7873 31.6442 172.6927 92 T 4.2490 8.3281 110.3326 61.2262 69.6523 174.9498 93 V 3.9580 8.1061 118.0174 63.7563 31.4913 177.1143 *95 E 4.6542 8.1100 119.4679 56.2649 31.4856 177.5467 96 Y 3.9773 7.6235 117.8721 60.2957 38.7435 177.8157 97 K 3.9299 8.2359 119.6597 59.4107 32.0701 179.2079 98 E 3.2353 7.9184 118.1747 58.9480 29.3296 179.1167 99 A 3.6738 7.5795 120.5843 55.2947 18.3560 179.6433 100 T 3.5453 7.5108 111.3796 64.8713 67.3136 176.3778 101 A 3.8143 7.6212 122.9012 54.9313 18.3497 179.3643 102 L 3.9815 7.8485 119.2354 58.4069 41.9914 179.0525 103 E 3.8269 8.3303 118.7085 59.1862 29.3051 179.2275 104 A 3.9683 8.2291 121.3622 54.9903 18.1904 179.7230 105 I 3.7413 7.6667 117.3776 64.7125 37.3262 178.2458 106 I 3.9544 7.5564 119.2139 64.4269 37.0236 178.4127 107 G 3.7982 7.9446 105.0305 47.6041 0.0000 176.4261 108 A 4.1551 7.9940 120.9050 52.6017 18.0340 178.5330 *110 Y 4.4895 7.8464 123.5898 59.0673 40.5100 176.2796 111 L 4.2276 8.0525 118.4104 56.6004 42.0738 177.3706 112 L 4.4832 7.9516 117.7721 54.0053 41.7127 176.9652 113 K 3.8458 8.0596 114.6013 57.2631 29.9981 175.9368 114 K 4.4287 7.5197 118.5229 56.8469 31.6056 178.4904 115 E 4.5272 7.9803 114.6759 56.7852 29.4692 178.0635 116 E 4.4945 8.9271 120.8116 57.0084 31.6863 177.5402 117 E 4.0646 8.0593 117.5852 58.8215 29.4241 179.2703 118 I 3.7392 7.6002 119.9671 64.1473 37.4457 177.7396 119 K 3.7827 8.0822 119.9969 59.7521 31.6675 178.6306 120 K 3.9778 7.6718 116.8931 59.3171 32.1838 179.2902 121 I 3.9304 7.3633 119.6618 64.3309 37.3913 178.2061 122 I 3.7438 7.6433 112.5089 62.5697 37.4692 177.1405 123 N 4.2871 7.8659 119.2569 55.9930 38.3001 176.2543 124 I 3.8968 7.7344 114.0806 62.9222 37.5470 178.1377 125 V 3.9654 7.3328 113.5141 63.6419 32.2388 177.7615 126 I 3.1744 7.0105 111.2842 63.4517 37.3340 177.5596 127 K 4.1953 7.8717 120.7879 58.2885 32.3508 176.6087 128 G 4.1393 7.8499 111.3344 45.2884 0.0000 172.8322 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 F 8.31 5.00 0.00 3.16 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 7 S 7.83 4.60 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.55 4.12 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.61 7.81 9 D 8.79 4.98 0.00 2.74 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 10 I 7.45 4.63 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.95 0.00 0.00 11 R 7.42 3.91 0.00 1.84 1.97 0.00 3.24 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 12 D 7.38 4.73 0.00 2.42 2.43 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 13 Y 7.99 4.94 0.00 3.10 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 14 S 10.07 4.68 0.00 4.02 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 15 G 8.71 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 16 L 7.89 4.18 0.00 1.63 1.77 0.93 0.92 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 17 E 7.90 4.19 0.00 2.48 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 0.00 2.42 2.40 0.00 18 L 8.36 3.94 0.00 1.82 1.93 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.68 4.28 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 20 F 8.28 4.17 0.00 3.28 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.01 3.82 0.00 1.81 1.73 0.82 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.52 3.64 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 0.00 23 D 8.41 4.55 0.00 2.91 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 24 A 7.27 3.92 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 25 I 7.47 3.54 1.96 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.24 0.92 0.00 0.00 26 W 8.52 4.14 0.00 3.52 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 27 E 8.14 4.00 0.00 2.23 2.01 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 2.55 2.50 0.00 28 L 8.00 3.98 0.00 1.73 1.80 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.22 3.84 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 30 I 7.74 3.59 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.09 1.21 0.00 0.00 31 R 8.76 4.04 0.00 1.87 2.03 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 32 K 8.23 3.79 0.00 1.90 1.97 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 Y 7.72 4.10 0.00 2.79 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 34 Y 7.95 4.36 0.00 3.15 3.19 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 35 L 7.94 4.24 0.00 1.85 1.74 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.51 4.36 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.55 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 37 F 7.75 4.50 0.00 1.85 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 0.00 0.00 0.00 38 G 7.81 3.89 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 0.00 0.00 0.00 39 Y 7.82 4.60 0.00 3.08 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 40 N 8.50 4.78 0.00 2.94 2.96 0.00 0.00 5.89 7.63 0.00 0.00 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 I 8.38 3.55 1.85 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 1.69 0.90 0.90 0.00 0.00 42 P 0.00 4.12 0.00 2.16 2.27 0.00 3.57 0.00 0.00 3.73 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 43 T 7.54 3.40 4.06 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 0.12 0.00 0.00 44 L 8.00 3.93 0.00 1.85 1.93 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.33 4.33 0.00 2.78 2.80 0.00 0.00 6.70 8.57 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 46 K 7.52 3.82 0.00 1.71 1.51 0.00 1.44 0.00 0.00 1.28 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.37 7.81 47 Y 7.65 4.09 0.00 2.52 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 48 V 7.79 3.81 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 1.13 0.00 0.00 1.13 0.00 0.00 49 K 8.35 4.12 0.00 1.91 1.87 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 50 A 7.75 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.57 4.21 0.00 1.96 2.03 0.00 1.27 0.00 0.00 0.65 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.79 7.81 52 V 7.49 4.44 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 1.04 0.00 0.00 1.24 0.00 0.00 53 N 7.70 4.49 0.00 3.08 3.03 0.00 0.00 6.85 7.58 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 54 A 8.58 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.16 3.96 0.00 1.83 2.08 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.90 7.81 56 Y 8.65 4.38 0.00 3.09 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 57 Q 7.92 3.70 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 1.52 2.34 0.00 58 S 7.86 4.09 0.00 4.04 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 59 L 7.43 3.96 0.00 1.49 1.67 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.29 3.72 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.06 0.95 0.00 0.00 61 Y 7.83 3.87 0.00 2.99 3.04 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 62 K 8.40 4.62 0.00 1.73 1.81 0.00 2.21 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.73 7.81 63 K 7.54 4.60 0.00 1.69 1.95 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.39 7.81 64 I 7.52 4.29 1.80 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 1.33 0.62 0.93 0.00 0.00 65 I 7.50 3.47 0.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.96 0.67 0.00 0.00 66 N 7.98 4.45 0.00 2.69 2.83 0.00 0.00 6.74 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 67 D 7.50 4.86 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.64 0.00 1.88 1.64 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.69 4.62 0.00 2.86 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 70 E 8.74 3.97 0.00 1.94 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 2.40 2.31 0.00 71 E 7.94 3.80 0.00 1.73 1.21 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 1.82 2.16 0.00 72 F 7.64 4.60 0.00 3.37 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 73 K 8.39 4.08 0.00 1.83 1.89 0.00 1.84 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.59 1.83 7.81 74 V 7.72 3.75 2.22 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 1.05 0.00 0.00 1.02 0.00 0.00 75 I 7.57 3.92 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.25 1.01 0.00 0.00 76 G 8.48 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 77 K 8.05 4.06 0.00 2.01 1.86 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 78 R 8.06 4.22 0.00 2.04 2.16 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 79 A 7.47 4.40 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 80 K 8.15 4.09 0.00 1.73 1.82 0.00 1.50 0.00 0.00 1.43 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.51 7.81 81 N 7.34 4.90 0.00 2.70 2.81 0.00 0.00 7.01 7.45 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 82 S 7.76 4.23 0.00 4.01 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 0.00 83 N 7.94 4.45 0.00 2.78 2.87 0.00 0.00 6.71 7.94 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 84 I 8.13 4.78 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 1.46 0.96 0.91 0.00 0.00 85 K 8.33 3.99 0.00 1.86 1.29 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.37 7.81 *88 P 0.00 3.62 0.00 1.99 1.65 0.00 3.52 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 89 R 7.99 4.35 0.00 1.81 1.94 0.00 3.06 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 0.00 90 S 8.22 4.50 0.00 4.02 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 91 C 7.27 4.57 0.00 3.35 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 92 T 8.33 4.25 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 1.28 0.00 0.00 93 V 8.11 3.96 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 1.00 0.00 0.00 0.92 0.00 0.00 *95 E 8.11 4.65 0.00 2.14 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 0.00 2.31 2.29 0.00 96 Y 7.62 3.98 0.00 3.17 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 97 K 8.24 3.93 0.00 1.80 1.75 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.66 7.81 98 E 7.92 3.24 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 99 A 7.58 3.67 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 0.00 100 T 7.51 3.55 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 101 A 7.62 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.85 3.98 0.00 1.74 1.57 0.12 0.89 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 0.00 103 E 8.33 3.83 0.00 2.02 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 2.20 2.03 0.00 104 A 8.23 3.97 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 0.00 105 I 7.67 3.74 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.95 0.67 0.00 0.00 106 I 7.56 3.95 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.91 1.03 0.00 0.00 107 G 7.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.99 4.16 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 *110 Y 7.85 4.49 0.00 3.05 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 0.00 111 L 8.05 4.23 0.00 1.84 1.71 0.43 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.95 4.48 0.00 1.80 1.70 1.02 0.83 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 0.00 113 K 8.06 3.85 0.00 1.81 1.82 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.39 7.81 114 K 7.52 4.43 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.75 1.56 7.81 115 E 7.98 4.53 0.00 1.89 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 2.26 2.09 0.00 116 E 8.93 4.49 0.00 1.93 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 2.17 2.26 0.00 117 E 8.06 4.06 0.00 2.05 1.83 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 2.41 2.36 0.00 118 I 7.60 3.74 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.56 0.96 0.00 0.00 119 K 8.08 3.78 0.00 1.78 1.92 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 120 K 7.67 3.98 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.63 7.81 121 I 7.36 3.93 2.09 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 1.57 0.89 1.14 0.00 0.00 122 I 7.64 3.74 1.43 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.55 0.00 0.00 123 N 7.87 4.29 0.00 3.04 2.91 0.00 0.00 6.83 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 0.00 124 I 7.73 3.90 1.89 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 1.60 0.67 1.00 0.00 0.00 125 V 7.33 3.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.73 0.00 0.00 126 I 7.01 3.17 0.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.31 0.01 0.00 0.00 127 K 7.87 4.20 0.00 1.70 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.47 7.81 128 G 7.85 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.