NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1890 8.4331 121.4811 57.4330 30.6332 175.6779 3 G 3.6268 9.2999 114.5450 44.4931 0.0000 172.1985 4 F 4.7810 7.5438 118.8516 54.7911 42.5993 172.0065 5 P 4.4705 0.0000 0.0000 64.6977 31.8869 176.4719 6 V 4.7275 7.6862 119.8709 61.1065 34.8190 174.3731 7 R 5.2751 8.5498 122.3668 55.1546 32.5387 174.3791 8 V 4.7562 8.9750 113.5993 59.7416 36.3713 174.4998 9 R 4.6817 8.4986 118.7258 54.7488 31.3181 175.6584 10 V 4.2258 8.0305 120.9183 61.1184 34.4637 174.3370 11 D 4.6525 8.2505 126.5139 52.1514 42.3283 176.3769 12 V 3.7132 8.1872 124.7072 62.7810 32.3148 175.4654 13 R 4.6073 8.8273 126.3332 54.5381 31.9317 177.3639 14 F 4.1349 8.7944 122.5632 61.3550 39.5984 177.4128 15 R 4.0183 8.0951 119.2208 58.8504 30.1436 176.7387 16 D 4.5062 8.0802 116.9732 55.7094 41.2696 176.1939 17 L 4.7092 7.2313 119.4523 53.8631 42.3543 176.5105 18 D 4.5947 8.8982 122.5069 52.8364 41.6967 175.8058 19 P 4.2217 0.0000 0.0000 65.8594 31.2464 177.6929 20 L 4.1133 7.6511 115.0338 55.2329 41.6996 177.3553 21 G 3.8627 8.5529 107.7710 45.3845 0.0000 172.7244 22 H 5.2080 7.3413 113.7271 52.7886 32.3371 172.9119 23 V 4.0671 8.5619 120.3767 62.8145 31.9963 175.4521 24 N 4.7653 9.4296 127.3241 53.0458 39.7646 175.2847 25 N 4.0682 9.0795 122.5761 56.1563 37.5891 177.0269 26 A 4.1005 8.6013 120.8271 54.7677 18.3752 179.7687 27 V 3.4842 7.8739 116.4172 65.9181 31.0443 178.1406 28 F 3.5252 7.8904 117.0632 60.4533 38.5039 177.5485 29 L 4.1409 7.7711 117.6368 57.6347 41.7552 179.3352 30 S 4.4090 8.0042 115.4222 61.3373 62.7715 176.0844 31 Y 4.4326 7.3042 114.7669 59.1127 37.0827 177.2318 *33 E 4.2577 8.0942 123.4845 56.1431 31.8049 177.5675 34 L 3.9400 7.9210 119.3702 58.0798 41.9975 178.9080 35 A 3.9676 7.6018 119.9283 55.1072 18.2434 179.5350 36 R 3.4651 7.8391 116.7440 59.4754 30.0400 178.7100 37 I 3.7522 8.0093 119.9577 64.3814 36.9221 178.2859 38 R 3.9495 7.8018 118.4101 59.5028 30.0981 177.7049 39 Y 4.1566 8.2045 119.3535 60.8948 38.9158 177.9731 40 F 4.8913 8.5717 118.9722 60.9527 38.7803 177.6776 41 Q 4.6050 8.3992 117.2509 58.9024 28.4825 178.6366 42 R 4.1079 8.0208 118.3661 58.2294 30.1803 177.3982 43 I 4.2985 7.6479 117.5083 62.0586 38.6472 175.4741 44 S 4.7970 8.5396 113.1096 56.0997 65.4147 172.1275 45 P 4.6207 0.0000 0.0000 65.6147 32.0863 176.6081 46 D 4.6489 8.1068 120.9240 53.6520 40.3163 178.1608 47 W 4.4372 8.0271 118.1557 59.3247 29.0458 178.7018 48 L 3.4820 6.7953 118.2131 57.2476 41.2960 177.3276 49 E 4.2700 7.9384 116.5800 55.6367 29.5356 176.0573 50 E 4.0885 9.0616 117.9163 57.7734 27.4663 175.9816 51 G 3.9296 9.0776 103.5937 46.4710 0.0000 174.8002 52 H 3.7773 7.8917 114.6444 55.7217 26.5364 174.3892 53 F 5.2784 7.7926 117.7572 56.0724 40.8356 175.5258 54 V 4.6812 8.4007 115.7057 59.4476 35.5824 175.0632 55 V 4.1579 8.5192 123.3602 62.9112 31.3241 175.4061 56 A 4.4831 9.1085 130.5688 53.9797 20.4126 176.0790 57 R 4.2884 7.4625 113.3494 55.8573 33.9826 173.2437 *59 E 4.4304 8.6166 118.1426 56.4620 30.8743 175.1541 60 V 4.5858 8.2624 124.5663 60.9438 33.9128 174.2131 61 D 4.7268 8.8000 128.3458 52.9726 42.8559 175.1466 62 Y 4.1920 8.5260 122.0336 56.8186 37.8362 175.3726 63 L 4.3477 8.7207 125.7926 56.7928 42.5766 178.2813 64 R 4.7339 7.7692 115.0157 53.4561 34.1565 173.0022 65 P 4.7129 0.0000 0.0000 63.0857 32.5330 175.3221 66 I 4.7219 8.5572 121.5871 59.7571 39.8231 174.7276 67 L 5.0600 9.3478 126.4042 52.2252 45.1412 175.8827 68 L 4.0862 8.3817 122.8614 56.8833 42.3781 177.3315 69 G 4.0277 8.8933 114.2455 45.3126 0.0000 173.5640 70 D 4.4535 7.6719 119.5370 54.3837 41.4557 175.5214 71 E 4.1714 9.2130 124.7899 55.4760 30.6918 175.0218 72 V 5.3506 7.8264 126.8443 60.3074 34.4177 174.1759 73 F 5.2773 8.3312 123.8311 55.6617 43.3471 174.1203 74 V 4.7438 9.0328 121.2716 61.2275 34.5980 174.4046 75 G 4.2344 8.8683 115.6313 44.2815 0.0000 172.4368 76 V 5.2440 8.6508 121.4970 60.0123 35.1106 174.4298 77 R 4.8596 8.4522 117.3594 55.6324 32.5635 174.5014 78 T 4.2709 8.9655 118.9199 63.3075 69.0775 175.3962 79 V 4.2254 8.5553 119.3899 61.3571 33.2487 176.1922 80 G 4.1410 7.4484 106.5224 44.5094 0.0000 172.0683 81 L 5.0616 8.5931 122.1904 52.6347 44.7932 176.7652 82 G 4.1631 8.8042 114.2375 45.6660 0.0000 173.4924 83 R 4.1453 8.2655 119.4776 57.4741 31.0025 177.5430 84 S 5.2294 8.1721 109.7084 57.2389 64.9547 172.4761 85 S 5.6561 8.0315 115.3530 56.9743 66.6664 172.4643 86 L 5.0306 8.8029 118.7893 54.7678 44.0184 175.1369 87 R 5.5468 8.9470 120.1027 53.6969 33.9758 174.3460 *89 E 4.5181 8.3750 119.4919 56.6766 31.1199 173.7941 90 H 5.3538 9.4309 123.7485 53.8182 32.2375 172.5812 91 L 4.9174 8.7571 125.0073 53.2460 44.8218 174.9355 92 V 4.8446 8.8213 127.5811 61.5171 33.4612 174.4639 93 T 5.1989 9.0887 118.3094 59.8347 72.0475 172.9848 94 A 4.8980 8.8238 125.4471 50.5572 21.9219 176.0740 95 N 4.2436 10.2104 121.9522 54.5287 36.8026 175.9527 96 G 4.0263 8.6537 105.0619 45.4187 0.0000 173.8058 97 E 4.6690 7.7727 119.3981 54.0389 31.7200 175.5965 98 S 4.3937 8.6832 118.1890 59.2426 63.2187 173.7480 99 A 4.6723 9.2477 128.1667 53.6259 20.7551 176.5073 100 A 4.8975 7.6010 113.8143 51.0362 22.8082 175.6255 101 K 4.9745 8.7514 119.5848 54.4912 36.3074 175.6896 102 G 4.3030 9.1940 111.1741 44.3517 0.0000 171.1921 103 L 5.0913 9.0136 125.8529 52.9600 43.4887 176.2486 104 G 4.2499 8.7437 110.7302 44.2685 0.0000 171.5433 105 V 4.8500 8.8747 123.0014 61.0061 33.7049 174.2807 106 L 5.3013 8.8760 128.4875 53.0341 44.4503 175.6341 107 V 5.1412 8.8433 123.0577 60.8102 34.5894 174.1499 108 W 4.4411 9.6920 135.0000 57.0225 31.6391 174.6718 109 L 5.1666 7.5957 127.0406 52.9075 44.0023 176.0547 110 E 4.2671 8.6754 121.7524 55.5384 32.5869 176.2899 111 G 3.5390 9.6245 111.7993 46.5243 0.0000 174.3798 112 G 3.9324 8.6883 106.3704 44.8194 0.0000 174.0759 113 R 4.6920 7.5944 115.3282 52.9670 32.5988 172.9924 114 P 4.6969 0.0000 0.0000 63.6825 31.5244 175.5796 115 A 4.8714 8.8460 122.5073 49.5520 23.1382 173.6927 116 P 4.6145 0.0000 0.0000 62.7340 32.1188 176.5253 117 L 3.3467 8.4411 124.4497 54.1087 42.1214 175.8447 118 P 4.1438 0.0000 0.0000 62.0731 32.2159 176.9926 119 E 3.8509 8.7301 121.4799 59.3790 29.3566 179.1153 120 A 3.9657 7.8348 120.2952 55.3118 18.4808 179.5746 121 I 3.7025 7.4414 117.7271 64.3917 37.1889 178.6964 122 R 3.9501 7.9725 118.9593 59.3143 29.8951 178.9217 123 E 3.9537 8.5359 118.7588 59.5522 29.3593 179.7308 124 R 3.9624 7.8138 118.2252 59.0793 30.0433 179.1735 125 I 3.7282 7.9136 119.6691 64.5386 37.2281 178.4700 126 R 3.8854 8.2845 119.3967 59.3180 29.5910 178.4458 127 A 3.9868 7.7476 120.0516 54.9673 18.4888 179.0690 128 L 3.9945 7.9590 118.1829 58.2804 41.4685 178.7648 129 E 4.2125 8.6880 118.9426 56.9431 29.1947 177.7358 130 G 4.2461 8.0075 105.9114 45.6115 0.0000 173.1369 131 R 4.6352 7.3424 113.4021 53.3780 32.4932 172.9268 132 P 4.2366 0.0000 0.0000 63.4169 31.8503 176.3391 133 L 4.0223 8.2565 123.0547 55.7577 41.8053 174.1741 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 2 E 8.43 4.19 0.00 1.95 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 0.00 2.19 2.31 0.00 3 G 9.30 3.63 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 0.00 0.00 0.00 4 F 7.54 4.78 0.00 3.00 2.97 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 5 P 0.00 4.47 0.00 2.23 2.31 0.00 4.06 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 6 V 7.69 4.73 2.36 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 1.06 0.00 0.00 0.99 0.00 0.00 7 R 8.55 5.28 0.00 1.87 1.84 0.00 3.14 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 8 V 8.97 4.76 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 0.76 0.00 0.00 0.97 0.00 0.00 9 R 8.50 4.68 0.00 1.33 1.76 0.00 2.92 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 10 V 8.03 4.23 1.48 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 -0.18 0.00 0.00 0.59 0.00 0.00 11 D 8.25 4.65 0.00 2.59 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 12 V 8.19 3.71 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 0.82 0.00 0.00 0.86 0.00 0.00 13 R 8.83 4.61 0.00 2.13 1.88 0.00 3.23 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 14 F 8.79 4.13 0.00 3.01 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 15 R 8.10 4.02 0.00 1.87 2.00 0.00 3.39 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 16 D 8.08 4.51 0.00 2.92 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 17 L 7.23 4.71 0.00 1.29 1.38 0.76 0.99 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 18 D 8.90 4.59 0.00 2.39 2.45 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 0.00 0.00 0.00 0.00 19 P 0.00 4.22 0.00 1.98 2.09 0.00 3.60 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 1.99 2.07 0.00 20 L 7.65 4.11 0.00 1.52 1.70 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.55 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 22 H 7.34 5.21 0.00 3.20 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.56 4.07 1.89 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 0.21 0.00 0.00 0.97 0.00 0.00 24 N 9.43 4.77 0.00 2.83 2.63 0.00 0.00 6.80 6.25 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 25 N 9.08 4.07 0.00 2.29 2.59 0.00 0.00 6.11 7.46 0.00 0.00 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 A 8.60 4.10 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 27 V 7.87 3.48 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 0.68 0.00 0.00 0.87 0.00 0.00 28 F 7.89 3.53 0.00 3.50 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 29 L 7.77 4.14 0.00 1.85 1.74 1.01 0.96 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 30 S 8.00 4.41 0.00 4.05 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 31 Y 7.30 4.43 0.00 3.20 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 *33 E 8.09 4.26 0.00 2.16 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 0.00 2.33 2.35 0.00 34 L 7.92 3.94 0.00 1.83 1.82 0.88 0.88 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 35 A 7.60 3.97 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 36 R 7.84 3.47 0.00 1.73 1.91 0.00 3.04 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.93 0.00 37 I 8.01 3.75 2.01 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 1.69 0.96 1.05 0.00 0.00 38 R 7.80 3.95 0.00 1.84 2.12 0.00 3.42 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 39 Y 8.20 4.16 0.00 3.16 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 40 F 8.57 4.89 0.00 3.44 3.27 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 41 Q 8.40 4.61 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 1.98 2.40 0.00 42 R 8.02 4.11 0.00 1.84 1.89 0.00 3.27 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 43 I 7.65 4.30 2.07 0.00 0.00 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 1.51 0.96 1.00 0.00 0.00 44 S 8.54 4.80 0.00 3.87 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 45 P 0.00 4.62 0.00 2.29 2.25 0.00 3.92 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 2.06 2.05 0.00 46 D 8.11 4.65 0.00 2.74 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 47 W 8.03 4.44 0.00 3.70 3.48 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 0.00 48 L 6.80 3.48 0.00 1.08 1.40 0.57 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.94 4.27 0.00 1.88 1.67 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 2.22 2.14 0.00 50 E 9.06 4.09 0.00 2.39 2.30 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 2.42 2.34 0.00 51 G 9.08 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 52 H 7.89 3.78 0.00 2.08 2.18 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.79 5.28 0.00 3.20 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 54 V 8.40 4.68 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 0.69 0.00 0.00 1.03 0.00 0.00 55 V 8.52 4.16 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 0.78 0.00 0.00 1.01 0.00 0.00 56 A 9.11 4.48 1.31 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 0.00 0.00 57 R 7.46 4.29 0.00 1.89 1.79 0.00 3.22 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 *59 E 8.62 4.43 0.00 1.97 1.92 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 2.29 2.31 0.00 60 V 8.26 4.59 1.77 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 -0.29 0.00 0.00 0.77 0.00 0.00 61 D 8.80 4.73 0.00 2.50 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.53 4.19 0.00 2.62 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 63 L 8.72 4.35 0.00 1.78 1.73 0.93 0.69 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 64 R 7.77 4.73 0.00 1.79 1.83 0.00 3.29 0.00 0.00 3.56 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 65 P 0.00 4.71 0.00 2.13 2.04 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 66 I 8.56 4.72 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.92 0.00 0.00 67 L 9.35 5.06 0.00 1.54 1.56 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.38 4.09 0.00 1.62 1.62 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.89 4.03 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 0.00 0.00 0.00 70 D 7.67 4.45 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 9.21 4.17 0.00 2.00 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 2.32 1.92 0.00 72 V 7.83 5.35 1.89 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 0.73 0.00 0.00 0.85 0.00 0.00 73 F 8.33 5.28 0.00 3.00 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 74 V 9.03 4.74 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 1.11 0.00 0.00 0.93 0.00 0.00 75 G 8.87 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 0.00 0.00 0.00 0.00 76 V 8.65 5.24 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 0.78 0.00 0.00 0.56 0.00 0.00 77 R 8.45 4.86 0.00 1.97 1.95 0.00 2.70 0.00 0.00 2.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 78 T 8.97 4.27 4.32 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 1.29 0.00 0.00 79 V 8.56 4.23 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 0.66 0.00 0.00 0.95 0.00 0.00 80 G 7.45 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 81 L 8.59 5.06 0.00 1.63 1.59 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.80 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 83 R 8.27 4.15 0.00 1.88 1.88 0.00 3.16 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 84 S 8.17 5.23 0.00 4.22 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 85 S 8.03 5.66 0.00 3.96 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 86 L 8.80 5.03 0.00 1.93 1.82 0.81 0.68 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 87 R 8.95 5.55 0.00 1.72 1.87 0.00 3.17 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00 *89 E 8.37 4.52 0.00 2.11 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 2.62 2.48 0.00 90 H 9.43 5.35 0.00 3.03 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.76 4.92 0.00 1.49 0.66 0.93 0.82 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 92 V 8.82 4.84 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 0.98 0.00 0.00 1.05 0.00 0.00 93 T 9.09 5.20 4.31 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 1.22 0.00 0.00 94 A 8.82 4.90 1.31 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 0.00 0.00 95 N 10.21 4.24 0.00 2.85 2.92 0.00 0.00 7.17 7.29 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 96 G 8.65 4.03 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 0.00 0.00 0.00 97 E 7.77 4.67 0.00 2.20 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 2.26 2.27 0.00 98 S 8.68 4.39 0.00 3.89 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 99 A 9.25 4.67 1.48 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 0.00 0.00 0.00 100 A 7.60 4.90 1.22 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 0.00 101 K 8.75 4.97 0.00 1.64 1.66 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.35 7.81 102 G 9.19 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 0.00 0.00 0.00 0.00 103 L 9.01 5.09 0.00 1.49 1.60 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.74 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 0.00 0.00 0.00 0.00 105 V 8.87 4.85 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 1.04 0.00 0.00 0.95 0.00 0.00 106 L 8.88 5.30 0.00 1.46 1.49 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.84 5.14 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 1.10 0.00 0.00 1.03 0.00 0.00 108 W 9.69 4.44 0.00 3.23 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 0.00 109 L 7.60 5.17 0.00 1.24 1.35 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.68 4.27 0.00 1.99 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 2.28 0.00 111 G 9.62 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 0.00 0.00 0.00 112 G 8.69 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 0.00 113 R 7.59 4.69 0.00 1.96 1.97 0.00 2.80 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 114 P 0.00 4.70 0.00 2.10 2.12 0.00 3.67 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 2.06 2.14 0.00 115 A 8.85 4.87 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 0.00 116 P 0.00 4.61 0.00 1.91 2.00 0.00 3.73 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 2.15 0.00 117 L 8.44 3.35 0.00 1.42 1.44 1.22 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.14 0.00 1.74 1.73 0.00 2.20 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.62 0.00 119 E 8.73 3.85 0.00 2.01 1.89 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 2.34 2.64 0.00 120 A 7.83 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 0.00 121 I 7.44 3.70 1.67 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 1.31 0.54 0.97 0.00 0.00 122 R 7.97 3.95 0.00 1.98 1.96 0.00 3.13 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 123 E 8.54 3.95 0.00 2.11 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 2.32 2.58 0.00 124 R 7.81 3.96 0.00 1.97 1.98 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 125 I 7.91 3.73 2.10 0.00 0.00 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 1.85 0.99 1.07 0.00 0.00 126 R 8.28 3.89 0.00 1.92 2.07 0.00 3.22 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 127 A 7.75 3.99 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 0.00 128 L 7.96 3.99 0.00 1.59 1.77 0.80 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.69 4.21 0.00 2.05 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 2.65 2.55 0.00 130 G 8.01 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 0.00 0.00 0.00 0.00 131 R 7.34 4.64 0.00 2.05 1.84 0.00 3.05 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 132 P 0.00 4.24 0.00 2.05 2.05 0.00 3.70 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 2.02 2.08 0.00 133 L 8.26 4.02 0.00 1.53 1.47 0.99 0.93 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 * Residues marked with a * may have inaccurate shift predictions.