NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2380 8.2993 121.7898 55.7903 34.3876 175.2925 5 P 4.2831 0.0000 0.0000 61.5244 32.1089 174.7589 6 K 4.2404 8.3730 123.4432 55.7989 33.4737 179.1214 7 I 4.3443 8.2579 124.5003 60.9821 40.1838 175.3241 *9 I 4.3049 8.3351 114.0241 60.3863 39.2857 175.9132 10 S 5.3313 8.3104 116.8997 57.2577 64.3361 175.0782 11 S 4.0517 8.7247 115.6979 61.4832 61.9672 176.0658 12 L 3.9489 7.9014 122.3425 58.5503 41.8066 178.6549 13 D 4.5836 8.5219 119.7644 56.6268 40.7460 178.5156 14 A 4.0176 8.2367 121.5138 55.1596 18.4036 179.3196 15 E 3.8665 8.2753 117.5524 59.5278 29.7596 179.1256 16 R 3.8744 8.1447 118.1179 59.3949 30.0974 179.0740 17 L 4.1828 8.4017 119.0094 57.7763 41.5982 179.2276 18 E 3.9589 8.3601 119.2445 59.4393 29.5197 179.0326 19 I 3.7485 7.8764 119.8789 64.0580 37.1467 178.0336 20 L 3.9577 8.3487 121.6977 58.4315 41.7244 179.2251 21 L 4.1982 8.0309 117.5111 57.6815 41.6040 179.0140 22 E 4.1512 8.1948 118.0888 59.6856 29.4580 179.1772 23 T 4.0931 7.9803 115.1547 66.0175 68.9252 175.6274 24 L 4.6959 8.0501 120.6707 54.5362 42.8543 179.1517 25 S 4.2697 8.3174 115.8641 61.6294 62.7695 175.0813 26 Q 4.2073 7.9580 116.2317 55.9136 28.8907 175.5556 27 N 4.6552 8.2967 117.1179 52.0986 37.7495 175.0704 28 A 4.2162 8.1096 128.9514 50.6720 17.4777 176.7395 29 F 4.6550 7.3938 117.5015 54.3141 39.7309 174.5841 30 P 4.3893 0.0000 0.0000 64.3368 31.5370 176.8351 31 G 4.1231 8.9083 109.3875 46.1272 0.0000 174.8874 32 R 3.4127 7.5663 120.7605 59.4235 29.8396 178.0917 33 D 4.3822 7.9013 117.9567 57.6067 40.6742 178.5514 34 D 4.3755 7.8221 118.7942 57.0010 40.9142 178.4225 35 L 3.9833 8.2746 121.2452 58.1528 42.0867 178.6874 36 E 3.9623 8.6965 118.7281 59.4602 29.0366 179.2854 37 A 3.9701 8.0074 120.5585 55.1380 18.2546 179.2012 38 E 3.9052 8.0209 116.4622 59.5239 29.8714 178.7028 39 L 4.1338 8.3348 119.0743 57.8260 41.4630 179.3902 40 A 4.0922 8.3447 120.3524 54.0953 18.3587 178.7998 41 R 4.4508 7.2933 110.7849 55.1095 30.3140 176.2502 42 A 4.4008 6.9804 121.6877 52.3236 19.4098 177.0996 43 E 4.3327 8.7692 118.8736 55.2568 30.8780 176.0667 44 V 4.2909 8.4201 125.4973 61.8958 32.3454 175.0897 45 V 4.5495 8.5165 121.2610 58.8517 35.8633 175.0294 46 D 4.6136 8.4855 120.8049 53.6446 41.6986 175.0608 47 P 4.2286 0.0000 0.0000 65.9042 31.5481 178.5281 48 E 3.8948 8.7018 117.1315 58.5843 29.4122 177.3239 49 E 4.4977 7.8818 116.9559 55.6719 29.7157 175.0158 50 I 4.1049 7.2507 118.9586 59.2799 37.8283 174.3760 51 P 4.4053 0.0000 0.0000 61.7178 31.7522 175.7474 52 P 4.3510 0.0000 0.0000 65.3757 31.3652 177.1169 53 T 4.2072 7.7785 108.0693 61.8419 69.5381 174.1311 54 V 4.3483 7.4351 123.1693 61.6047 32.5831 175.4068 55 V 3.8291 8.9606 127.9712 62.7800 32.0469 174.4134 56 T 4.2578 8.6830 117.5938 62.5656 70.4182 174.6850 *58 N 4.7571 8.4800 116.9641 52.0884 41.7199 175.4579 59 S 4.5597 8.2748 116.5530 58.9238 64.4442 173.2147 60 T 4.8637 9.2511 121.3478 62.1895 70.1917 173.7106 61 V 4.3898 8.7591 127.4051 61.0717 33.2318 174.6821 62 R 4.5239 8.6243 129.1059 54.9260 31.8332 174.8706 63 F 5.2286 8.9940 124.7470 55.5194 42.7424 173.9868 64 R 5.0865 8.6549 122.2629 54.4988 32.7733 175.2980 65 V 4.2436 8.7163 120.4337 61.0372 32.2945 177.3103 66 E 3.9456 9.1602 124.7848 59.3738 29.7154 178.7072 67 S 4.2621 8.1287 113.3768 59.9872 63.1545 174.7264 68 S 4.4621 7.7772 111.6345 56.4917 64.3331 173.9889 69 A 3.8356 8.1706 122.3858 52.7077 16.7692 177.0095 70 E 4.3010 7.8131 116.3738 57.6744 30.7302 175.8751 71 E 5.3026 8.7535 120.5303 55.0612 33.0287 175.8127 72 F 4.6335 8.3527 117.3296 56.2746 42.3959 172.6356 *74 L 4.7274 8.5273 116.3230 55.4113 43.6031 175.8974 75 T 4.9601 8.7253 120.1326 61.7454 70.9630 173.4820 76 L 4.6469 8.6071 129.5925 54.8381 43.2424 176.0209 77 V 4.6284 8.6276 118.9289 59.3265 36.1977 175.1195 78 Y 4.4837 8.3632 119.0855 57.1854 38.6325 175.3517 79 P 4.2503 0.0000 0.0000 65.7439 31.5405 178.9146 80 K 3.8922 8.2173 115.7175 59.3081 32.2350 176.9348 81 D 4.8538 8.0321 116.8374 53.8100 41.4719 176.9111 82 V 3.8618 7.3968 113.7494 61.2522 32.1284 175.1605 83 D 4.9203 8.1090 121.0850 52.3589 42.1865 175.4098 84 T 4.4066 8.3928 109.3221 61.9720 69.0127 175.6620 85 S 4.1308 8.5814 119.2085 59.7606 63.2867 175.5652 86 G 3.8916 8.4608 107.3288 44.9977 0.0000 172.7949 87 E 4.5672 8.1079 119.5987 55.9705 31.1769 175.5366 88 K 5.0118 7.9550 117.5396 55.7002 34.5866 175.7753 89 I 4.5065 8.5322 122.3445 59.3411 41.5894 174.4068 90 S 4.5846 8.6786 124.1898 58.0926 63.1149 174.7800 91 I 3.6318 8.4412 125.8688 63.6385 37.8509 177.5233 92 L 3.5467 7.6966 118.3126 55.4079 42.0361 176.8012 93 A 4.3640 7.5208 122.3560 49.9620 19.7615 174.9337 94 P 4.3229 0.0000 0.0000 64.5017 32.1837 175.9736 95 V 3.7422 8.7214 126.4562 63.9257 31.1219 173.5365 96 G 3.7632 7.9657 105.5643 48.1570 0.0000 175.4460 97 S 4.4743 8.5123 116.9034 59.9920 62.9878 175.5918 98 A 4.3565 7.7139 122.4899 53.3816 19.0408 178.8794 99 L 4.1973 7.8257 118.1721 56.2001 41.7022 177.3194 100 L 4.1666 7.4468 120.6046 56.5043 42.3268 177.0062 101 G 3.9780 8.9960 115.1531 45.3346 0.0000 173.4587 102 L 4.2563 7.7609 119.6439 54.5001 42.5836 175.5099 103 A 5.0879 9.0871 122.0351 49.7923 22.1493 175.4332 104 Q 4.0138 8.5524 120.9341 58.2483 29.3117 177.3498 105 G 4.0503 9.0490 113.7603 45.3182 0.0000 173.7079 106 D 4.6238 8.1031 119.6684 54.4073 42.0169 175.2906 107 E 5.3299 8.7421 121.0230 54.7645 32.2557 175.0608 108 I 5.0037 8.5747 116.0041 59.6505 41.9221 173.3099 109 E 5.1007 8.6678 118.9038 54.9550 32.7332 173.9303 110 W 5.3455 8.3716 117.1045 54.4755 32.3804 171.9947 111 P 4.8289 0.0000 0.0000 62.7831 31.5952 176.4236 112 K 4.3813 8.7549 123.4762 54.6605 33.6427 174.9378 113 P 4.2880 0.0000 0.0000 64.4388 31.5831 176.8525 114 G 3.8641 8.3860 111.3477 44.3697 0.0000 172.8258 115 G 3.9952 8.4075 106.8326 44.9841 0.0000 174.0245 116 G 3.8512 9.1706 106.2469 44.1715 0.0000 172.2837 117 V 4.7321 7.7125 110.3256 59.2640 35.2696 175.6456 118 L 4.2084 8.7950 126.8987 53.8902 43.2290 174.9677 119 R 4.8930 8.2865 127.2980 54.7170 32.2349 175.1172 120 V 4.9698 8.6663 118.9301 59.5257 36.1934 174.3842 121 R 5.0493 8.7461 122.9537 54.4884 33.3332 174.9397 122 I 4.0052 8.6542 126.8862 61.4732 37.2776 176.9847 123 V 3.9735 8.7048 121.9931 63.2535 32.6144 176.3753 124 E 4.6757 7.5043 118.3865 55.0389 32.9030 174.0977 125 V 4.9507 8.3475 124.8945 61.2632 34.3356 174.6840 126 T 4.7151 8.9285 117.0368 60.1108 72.4572 173.4846 127 Y 4.2621 8.6216 123.7273 57.8162 38.9057 175.0305 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 K 8.30 4.24 0.00 1.72 1.84 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 5 P 0.00 4.28 0.00 2.31 2.05 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 6 K 8.37 4.24 0.00 1.67 1.90 0.00 1.75 0.00 0.00 2.07 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.44 7.81 7 I 8.26 4.34 1.88 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 1.41 0.79 0.98 0.00 0.00 *9 I 8.34 4.30 1.89 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 1.41 0.89 0.93 0.00 0.00 10 S 8.31 5.33 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.05 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 12 L 7.90 3.95 0.00 1.80 1.67 0.91 1.28 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 13 D 8.52 4.58 0.00 2.80 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 14 A 8.24 4.02 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 15 E 8.28 3.87 0.00 2.15 2.13 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 2.30 2.35 0.00 16 R 8.14 3.87 0.00 1.96 1.71 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 17 L 8.40 4.18 0.00 1.82 1.81 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.36 3.96 0.00 2.18 2.13 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 2.32 2.50 0.00 19 I 7.88 3.75 1.98 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 1.41 0.64 0.90 0.00 0.00 20 L 8.35 3.96 0.00 1.87 1.95 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.03 4.20 0.00 1.85 1.80 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.19 4.15 0.00 2.18 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 2.36 2.52 0.00 23 T 7.98 4.09 4.39 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 1.22 0.00 0.00 24 L 8.05 4.70 0.00 1.81 1.77 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.32 4.27 0.00 3.98 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 26 Q 7.96 4.21 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.14 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 27 N 8.30 4.66 0.00 2.91 2.95 0.00 0.00 6.88 7.17 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 28 A 8.11 4.22 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 29 F 7.39 4.65 0.00 3.26 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 30 P 0.00 4.39 0.00 2.25 2.14 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 31 G 8.91 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 0.00 0.00 0.00 32 R 7.57 3.41 0.00 0.67 1.35 0.00 2.76 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 33 D 7.90 4.38 0.00 2.67 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 34 D 7.82 4.38 0.00 2.83 2.72 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 35 L 8.27 3.98 0.00 1.85 1.92 1.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.70 3.96 0.00 2.15 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 2.36 2.49 0.00 37 A 8.01 3.97 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 38 E 8.02 3.91 0.00 2.06 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 0.00 2.34 2.37 0.00 39 L 8.33 4.13 0.00 1.89 1.73 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.34 4.09 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 41 R 7.29 4.45 0.00 1.96 2.02 0.00 3.08 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 42 A 6.98 4.40 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 43 E 8.77 4.33 0.00 1.97 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 2.34 2.25 0.00 44 V 8.42 4.29 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 0.94 0.00 0.00 45 V 8.52 4.55 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 0.71 0.00 0.00 0.97 0.00 0.00 46 D 8.49 4.61 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.23 0.00 2.14 2.00 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 48 E 8.70 3.89 0.00 1.99 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 2.55 2.37 0.00 49 E 7.88 4.50 0.00 1.91 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 2.22 2.28 0.00 50 I 7.25 4.10 1.94 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 1.28 0.64 0.89 0.00 0.00 51 P 0.00 4.41 0.00 2.16 1.96 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 52 P 0.00 4.35 0.00 2.17 2.19 0.00 3.74 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 1.98 1.95 0.00 53 T 7.78 4.21 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 1.19 0.00 0.00 54 V 7.44 4.35 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 0.75 0.00 0.00 0.92 0.00 0.00 55 V 8.96 3.83 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 1.04 0.00 0.00 0.96 0.00 0.00 56 T 8.68 4.26 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 1.24 0.00 0.00 *58 N 8.48 4.76 0.00 2.92 2.89 0.00 0.00 7.32 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 59 S 8.27 4.56 0.00 3.94 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 60 T 9.25 4.86 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 1.20 0.00 0.00 61 V 8.76 4.39 1.96 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 -0.21 0.00 0.00 0.88 0.00 0.00 62 R 8.62 4.52 0.00 1.78 1.70 0.00 3.04 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 63 F 8.99 5.23 0.00 1.54 2.39 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 64 R 8.65 5.09 0.00 1.83 1.73 0.00 3.08 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 1.52 1.67 0.00 65 V 8.72 4.24 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 0.87 0.00 0.00 1.16 0.00 0.00 66 E 9.16 3.95 0.00 2.03 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 2.40 2.21 0.00 67 S 8.13 4.26 0.00 3.98 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 68 S 7.78 4.46 0.00 3.96 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 69 A 8.17 3.84 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 70 E 7.81 4.30 0.00 2.09 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 0.00 2.40 2.47 0.00 71 E 8.75 5.30 0.00 1.86 1.91 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 2.19 2.44 0.00 72 F 8.35 4.63 0.00 3.21 3.11 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 *74 L 8.53 4.73 0.00 2.04 1.83 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.73 4.96 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 1.24 0.00 0.00 76 L 8.61 4.65 0.00 1.79 1.52 0.93 0.72 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 77 V 8.63 4.63 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 0.76 0.00 0.00 0.92 0.00 0.00 78 Y 8.36 4.48 0.00 3.04 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 79 P 0.00 4.25 0.00 2.19 2.11 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 80 K 8.22 3.89 0.00 1.86 1.97 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.52 7.81 81 D 8.03 4.85 0.00 2.71 2.73 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 82 V 7.40 3.86 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 0.68 0.00 0.00 0.91 0.00 0.00 83 D 8.11 4.92 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 84 T 8.39 4.41 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 1.20 0.00 0.00 85 S 8.58 4.13 0.00 3.99 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 86 G 8.46 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 87 E 8.11 4.57 0.00 2.10 1.94 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 2.32 2.47 0.00 88 K 7.96 5.01 0.00 1.66 1.70 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 89 I 8.53 4.51 1.81 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.51 0.96 0.00 0.00 90 S 8.68 4.58 0.00 3.88 3.61 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 91 I 8.44 3.63 1.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.76 0.00 0.00 92 L 7.70 3.55 0.00 1.37 0.98 0.70 0.12 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 93 A 7.52 4.36 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 94 P 0.00 4.32 0.00 1.95 1.99 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 95 V 8.72 3.74 1.60 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 0.46 0.00 0.00 0.43 0.00 0.00 96 G 7.97 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 0.00 0.00 0.00 97 S 8.51 4.47 0.00 4.10 4.21 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 98 A 7.71 4.36 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 99 L 7.83 4.20 0.00 1.88 1.79 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.45 4.17 0.00 1.56 1.59 0.95 1.07 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 0.00 101 G 9.00 3.98 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 0.00 0.00 0.00 102 L 7.76 4.26 0.00 1.88 1.66 1.06 0.54 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 0.00 103 A 9.09 5.09 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 0.00 104 Q 8.55 4.01 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 105 G 9.05 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 0.00 0.00 0.00 106 D 8.10 4.62 0.00 2.77 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 0.00 107 E 8.74 5.33 0.00 1.84 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 2.34 2.28 0.00 108 I 8.57 5.00 2.06 0.00 0.00 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 1.56 1.22 1.04 0.00 0.00 109 E 8.67 5.10 0.00 1.94 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 2.20 2.33 0.00 110 W 8.37 5.35 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.83 0.00 2.05 2.08 0.00 3.90 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 2.10 2.20 0.00 112 K 8.75 4.38 0.00 1.85 1.70 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.32 7.81 113 P 0.00 4.29 0.00 2.03 2.02 0.00 3.69 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 2.03 2.12 0.00 114 G 8.39 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 0.00 115 G 8.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.17 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 0.00 117 V 7.71 4.73 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 0.72 0.00 0.00 0.89 0.00 0.00 118 L 8.79 4.21 0.00 1.41 0.89 0.77 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.29 4.89 0.00 1.83 1.68 0.00 3.28 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 120 V 8.67 4.97 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 0.45 0.00 0.00 0.67 0.00 0.00 121 R 8.75 5.05 0.00 1.85 1.73 0.00 3.07 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 122 I 8.65 4.01 1.80 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 0.85 0.51 0.74 0.00 0.00 123 V 8.70 3.97 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 0.63 0.00 0.00 0.94 0.00 0.00 124 E 7.50 4.68 0.00 1.93 1.63 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 2.21 2.23 0.00 125 V 8.35 4.95 2.18 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 0.95 0.00 0.00 0.90 0.00 0.00 126 T 8.93 4.72 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 1.19 0.00 0.00 127 Y 8.62 4.26 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.