NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0095 8.0393 120.3897 62.6915 32.5693 175.7739 4 S 4.3258 8.2846 122.7052 56.6911 65.5116 171.4462 5 E 3.9257 8.8070 122.6144 59.4845 29.5642 180.0588 6 S 4.0652 7.9778 112.8187 61.3546 62.6610 175.7660 7 Q 3.9647 7.7774 122.4289 59.0652 28.8993 178.1878 8 L 3.9551 8.0246 120.1019 57.6604 41.4312 179.4308 9 K 3.9116 7.9537 117.4484 59.4316 32.3991 179.1595 10 K 4.1099 7.8218 118.4578 59.8682 31.8059 179.1964 11 M 4.1167 7.6492 117.0135 57.7865 31.9690 178.2483 12 V 3.9264 7.2777 110.6469 60.9702 32.3727 178.0901 13 S 4.1034 7.7407 117.8404 61.7587 62.7508 175.8428 14 K 4.4134 8.0587 115.9422 56.6233 32.2007 176.4900 15 Y 4.2685 8.1070 117.6902 57.4862 38.4823 175.8503 16 K 3.8892 8.5119 123.9213 58.6358 32.5384 176.8830 17 Y 4.8703 7.4212 116.0994 55.4635 38.4189 175.9325 18 R 3.9962 8.3059 122.8677 59.3397 30.6918 177.7689 19 D 4.4188 8.2031 118.0443 57.5715 40.8881 178.9033 20 L 4.1298 8.0527 118.9224 58.1067 41.6947 179.5916 21 T 4.2707 8.0412 115.7929 66.6032 68.3726 177.1552 22 V 3.5516 8.1452 120.4909 65.8259 31.6711 177.8134 23 R 3.8947 8.3631 118.9362 59.7559 29.8307 178.1372 24 E 4.0694 8.1976 118.3940 59.4206 29.5551 178.7695 25 T 3.8207 8.0113 115.9873 66.5667 68.6344 176.6454 26 V 3.5682 8.0331 120.2509 66.0758 31.4104 177.6902 27 N 4.3249 8.0808 115.9521 56.3243 38.4122 177.5318 28 V 3.7518 8.1446 119.9729 66.0948 31.5745 178.0440 29 I 4.2587 7.8184 110.6384 63.4665 37.5127 177.6895 30 T 4.0803 7.5659 117.1841 66.1051 68.4918 176.0740 31 L 4.1626 7.4818 121.2783 56.0320 43.4185 176.1642 32 Y 4.5724 7.9660 118.6393 55.7389 37.3344 176.2714 33 K 4.2641 8.3745 122.6551 58.1174 32.7633 177.3480 34 D 4.7418 8.1306 117.8883 53.7221 41.3142 174.3268 35 L 5.0873 7.7120 118.0166 53.0790 43.1490 175.7420 36 K 4.6896 9.0089 125.8926 53.6778 35.0837 173.1149 37 P 4.8565 0.0000 0.0000 62.6348 32.4014 175.6841 38 V 4.3787 8.8810 123.6456 60.8763 35.2626 173.6124 39 L 5.0521 8.5402 129.4092 53.8502 42.9293 174.6875 40 D 5.1134 9.1364 125.4809 52.3745 45.5133 174.3061 41 S 4.8489 8.8391 117.0794 58.4678 64.2165 173.0316 42 Y 4.2361 8.9834 124.2787 57.2570 39.8389 174.1905 43 G 4.0956 9.0029 119.2213 45.3634 0.0000 172.9576 44 T 4.4719 7.0540 114.7589 61.3736 72.3082 174.8834 *48 G 3.8767 8.6310 112.9765 45.4095 0.0000 173.9459 49 S 4.3978 7.9730 111.8891 59.2043 64.0889 174.7668 50 R 4.3972 7.7706 124.2457 55.3021 28.5164 173.2906 51 E 5.0706 8.2417 120.9778 55.1970 31.0870 175.6122 52 L 5.1967 9.2864 123.2545 53.3255 46.9217 175.0286 53 M 5.0460 9.6864 121.9096 54.7710 33.9338 174.7146 54 N 5.2666 9.0883 122.1841 51.0138 41.6558 173.1282 55 L 4.9652 8.4924 120.5141 53.6788 43.6840 175.5946 56 T 4.8176 9.8997 121.5773 60.5133 71.4919 175.0554 57 G 4.4318 7.2491 111.3113 46.2044 0.0000 171.0907 58 T 5.3288 7.7291 113.3742 59.7723 72.1350 173.9959 59 I 4.7607 8.3267 115.7563 58.3060 41.0145 172.6890 60 P 4.9603 0.0000 0.0000 62.7161 32.3010 175.5192 61 V 4.5943 9.1052 125.3267 60.1998 34.4009 172.4409 62 P 5.2219 0.0000 0.0000 62.5148 33.1477 174.7924 63 Y 4.8409 9.5334 124.5255 57.3616 41.4995 174.8903 64 R 3.4523 9.4607 126.4221 57.6297 28.0963 176.4272 65 G 4.0830 8.2719 109.2957 45.6094 0.0000 174.4084 66 N 5.0699 8.1693 116.1531 51.3278 42.5744 173.7732 67 T 4.9548 8.0708 116.5675 62.6946 70.1120 174.1408 68 Y 4.6280 9.1176 123.1984 56.3912 41.8370 174.9780 69 N 4.9862 8.8109 120.6523 52.1282 38.5142 173.4393 70 I 4.0210 8.5220 125.0457 59.9845 38.7311 173.3512 71 P 5.0747 0.0000 0.0000 62.5921 32.5857 175.3992 72 I 5.2185 8.9968 117.7817 59.2255 42.0834 173.7751 73 C 4.8822 9.0763 122.0363 57.9273 34.9206 172.4520 74 L 4.8101 8.8228 127.3393 52.7715 43.4408 175.5827 75 W 4.5315 9.2011 125.9959 55.9886 30.3944 175.7283 76 L 4.8202 8.5490 125.8844 53.0689 42.0295 177.0917 77 L 4.2017 8.5871 124.3806 54.3029 42.4572 177.6762 78 D 3.3700 8.3060 118.3931 54.5140 39.3927 177.2975 79 T 4.7553 7.5382 109.4261 61.5051 69.5316 173.5221 80 Y 4.4622 8.1376 124.3423 57.7598 39.1953 173.8397 81 P 2.9953 0.0000 0.0000 62.4540 31.6651 176.4248 82 Y 3.9487 7.8421 118.1487 60.0366 38.0291 175.6345 83 N 5.0540 7.7674 115.9388 50.1429 41.5878 172.5207 84 P 2.9700 0.0000 0.0000 61.1820 32.0082 174.2059 85 P 4.5296 0.0000 0.0000 62.8694 32.7189 175.3909 86 I 4.2266 8.4526 121.8179 60.1679 38.7945 174.5894 87 C 5.3706 8.2739 124.5314 58.0098 31.2003 173.0310 88 F 5.4507 9.1601 120.2696 55.8342 43.3228 173.7885 89 V 4.4345 8.6977 121.6493 61.9206 32.5406 176.4320 90 K 4.7088 8.7140 128.2336 53.2537 31.6449 173.7637 91 P 4.2493 0.0000 0.0000 62.8198 32.4051 177.2334 92 T 4.4645 8.0521 111.0144 59.8454 70.8788 175.4865 93 S 4.1758 8.5147 115.5201 61.0040 63.0589 175.1343 94 S 4.5104 7.7776 113.6432 58.6739 63.1618 172.7333 95 M 5.4205 7.7728 117.5546 54.4210 34.9350 173.9966 96 T 4.6769 8.9756 113.1045 60.0048 70.7933 172.8336 97 I 4.2182 8.5192 128.5681 60.9522 39.1311 175.0673 98 K 4.5136 8.7392 130.7693 54.8012 32.8790 175.9407 99 T 4.2385 8.6164 125.0638 63.7034 69.5804 175.1153 100 G 4.0009 8.8935 113.5433 45.6018 0.0000 173.4884 101 K 3.7122 9.2070 120.8706 59.8475 32.1321 178.3329 102 H 5.0800 8.1263 111.9970 54.6245 29.4142 174.2574 103 V 4.8957 7.7155 120.7247 61.2134 34.1013 174.9744 104 D 4.7001 8.9981 127.5696 51.8468 41.5239 176.6443 105 A 4.0268 8.6282 120.8182 55.2097 18.2579 178.1131 106 N 4.7154 8.8074 111.3073 53.1306 39.0996 176.1077 107 G 4.0853 8.5919 107.7998 44.9860 0.0000 173.2393 108 K 4.1743 8.2515 121.7113 56.2191 33.4120 175.6792 109 I 4.9649 8.2567 128.5744 60.7850 38.7716 174.8090 110 Y 4.7494 9.1674 123.8388 56.2400 41.0459 174.9863 111 L 4.9620 8.4666 122.5052 51.5783 46.2976 175.1248 112 P 4.3459 0.0000 0.0000 66.0752 30.9671 178.3910 113 Y 4.0333 8.0835 117.1560 60.6699 38.8895 177.6782 114 L 4.4889 8.0236 119.5176 57.9237 41.7373 178.5756 115 H 4.3218 8.5310 117.8317 58.3154 29.8050 175.6822 116 E 4.4955 7.8481 115.9920 55.2882 29.6933 175.3977 117 W 3.8639 7.3823 128.7761 58.4253 31.0668 175.5343 118 K 4.3728 8.0773 126.1503 55.2473 34.6169 174.6443 119 H 4.2145 8.5635 126.5955 55.4380 30.3225 172.9399 120 P 4.0626 0.0000 0.0000 62.7213 32.0117 176.7520 121 Q 3.9287 7.7137 118.5642 59.0460 28.8489 177.0687 122 S 3.7890 7.3379 113.9061 57.8426 63.3109 173.6493 123 D 4.8312 8.3789 123.6272 51.2686 43.6940 176.4611 124 L 4.3439 8.6851 118.8358 57.9369 41.4455 179.8249 125 L 4.2322 8.6344 119.2627 57.8344 41.5745 179.8427 126 G 3.4934 8.9738 106.1327 47.4151 0.0000 175.5600 127 L 3.2844 7.7866 122.6221 57.9360 42.1674 179.1837 128 I 3.4898 7.9637 120.0857 64.2016 37.0460 178.1795 129 Q 3.9070 7.9291 120.4737 59.1700 28.8988 178.5828 130 V 3.4315 7.4477 119.1668 66.1628 31.5266 177.8397 131 M 3.3519 7.8291 118.5170 58.2714 31.6017 178.8012 132 I 3.7869 7.7595 119.9695 64.2172 36.7392 178.7922 133 V 3.5781 7.5670 118.6176 65.9498 31.3734 178.3388 134 V 3.5637 8.0079 118.2697 66.1426 31.3837 178.0457 135 F 5.0563 7.9143 118.8768 59.6063 38.4670 177.8771 136 G 3.8832 7.7565 105.1242 46.7110 0.0000 174.8449 137 D 4.9897 7.5939 118.3126 55.2887 42.1935 176.0347 138 E 4.5587 8.4850 120.5057 53.2588 30.9858 172.6634 139 P 4.0724 0.0000 0.0000 61.5005 31.9032 175.0354 140 P 4.4248 0.0000 0.0000 63.7599 32.4057 175.6617 141 V 4.8189 6.6258 112.1222 60.1879 35.9716 173.9972 142 F 4.7175 8.8988 120.6003 55.4680 43.3624 174.3650 143 S 4.6947 8.8061 117.3224 58.2451 62.9280 174.0955 144 R 4.2741 8.5970 125.9705 55.3222 30.8144 175.1396 145 P 4.4090 0.0000 0.0000 63.1826 31.4174 176.2192 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 3 V 8.04 4.01 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 0.98 0.00 0.00 0.91 0.00 0.00 4 S 8.28 4.33 0.00 4.16 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 5 E 8.81 3.93 0.00 2.05 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 2.38 2.37 0.00 6 S 7.98 4.07 0.00 3.92 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 7 Q 7.78 3.96 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 8 L 8.02 3.96 0.00 1.90 1.64 0.90 0.37 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 9 K 7.95 3.91 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.75 7.81 10 K 7.82 4.11 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 11 M 7.65 4.12 0.00 1.95 2.17 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 2.85 2.57 0.00 12 V 7.28 3.93 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 0.15 0.00 0.00 0.87 0.00 0.00 13 S 7.74 4.10 0.00 3.94 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 14 K 8.06 4.41 0.00 1.88 1.89 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 15 Y 8.11 4.27 0.00 3.07 2.98 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 16 K 8.51 3.89 0.00 1.33 1.05 0.00 1.35 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.74 0.21 7.81 17 Y 7.42 4.87 0.00 3.42 2.98 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 18 R 8.31 4.00 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.55 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 19 D 8.20 4.42 0.00 2.76 2.79 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 20 L 8.05 4.13 0.00 1.87 1.80 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.04 4.27 4.47 0.00 0.00 0.00 0.00 0.00 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 22 V 8.15 3.55 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 1.07 0.00 0.00 0.93 0.00 0.00 23 R 8.36 3.89 0.00 2.05 2.17 0.00 3.20 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 1.68 1.69 0.00 24 E 8.20 4.07 0.00 2.34 2.14 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 2.63 2.52 0.00 25 T 8.01 3.82 4.35 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 1.16 0.00 0.00 26 V 8.03 3.57 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 1.03 0.00 0.00 0.95 0.00 0.00 27 N 8.08 4.32 0.00 3.04 2.89 0.00 0.00 6.70 7.43 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 28 V 8.14 3.75 2.26 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 1.09 0.00 0.00 1.06 0.00 0.00 29 I 7.82 4.26 1.87 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 1.84 0.71 0.96 0.00 0.00 30 T 7.57 4.08 4.38 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 1.17 0.00 0.00 31 L 7.48 4.16 0.00 1.34 1.31 0.65 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.97 4.57 0.00 3.13 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 33 K 8.37 4.26 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.40 7.81 34 D 8.13 4.74 0.00 2.77 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 35 L 7.71 5.09 0.00 1.79 1.56 0.85 0.60 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 36 K 9.01 4.69 0.00 1.71 1.57 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.31 7.81 37 P 0.00 4.86 0.00 2.05 1.97 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 38 V 8.88 4.38 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 0.85 0.00 0.00 0.89 0.00 0.00 39 L 8.54 5.05 0.00 1.67 1.58 1.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 D 9.14 5.11 0.00 2.84 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 41 S 8.84 4.85 0.00 4.19 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 42 Y 8.98 4.24 0.00 2.16 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 43 G 9.00 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.05 4.47 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 1.21 0.00 0.00 *48 G 8.63 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 0.00 0.00 0.00 0.00 49 S 7.97 4.40 0.00 3.99 3.99 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 0.00 0.00 0.00 50 R 7.77 4.40 0.00 1.95 2.11 0.00 3.13 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 51 E 8.24 5.07 0.00 1.98 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 2.37 2.40 0.00 52 L 9.29 5.20 0.00 1.94 1.83 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 M 9.69 5.05 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 54 N 9.09 5.27 0.00 1.96 1.55 0.00 0.00 6.69 6.55 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 55 L 8.49 4.97 0.00 1.47 1.54 0.85 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 56 T 9.90 4.82 4.11 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 1.13 0.00 0.00 57 G 7.25 4.43 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 0.00 58 T 7.73 5.33 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 1.26 0.00 0.00 59 I 8.33 4.76 1.72 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.62 0.00 0.00 60 P 0.00 4.96 0.00 2.16 2.17 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 61 V 9.11 4.59 2.19 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 1.10 0.00 0.00 1.10 0.00 0.00 62 P 0.00 5.22 0.00 2.23 2.22 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 63 Y 9.53 4.84 0.00 2.96 2.96 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 0.00 0.00 0.00 64 R 9.46 3.45 0.00 1.48 1.70 0.00 2.99 0.00 0.00 2.87 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 65 G 8.27 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 0.00 0.00 0.00 66 N 8.17 5.07 0.00 2.47 2.40 0.00 0.00 6.97 6.94 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 67 T 8.07 4.95 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 1.22 0.00 0.00 68 Y 9.12 4.63 0.00 2.90 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 69 N 8.81 4.99 0.00 2.63 2.81 0.00 0.00 7.02 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 70 I 8.52 4.02 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 0.67 0.00 0.00 71 P 0.00 5.07 0.00 2.29 2.17 0.00 3.54 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 72 I 9.00 5.22 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.68 1.02 0.00 0.00 73 C 9.08 4.88 0.00 2.93 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 74 L 8.82 4.81 0.00 1.47 1.49 0.86 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 75 W 9.20 4.53 0.00 3.20 2.83 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 76 L 8.55 4.82 0.00 1.71 1.67 0.60 0.44 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 77 L 8.59 4.20 0.00 1.73 1.56 0.95 1.01 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 78 D 8.31 3.37 0.00 2.46 2.24 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 79 T 7.54 4.76 4.44 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 0.00 0.00 0.00 1.24 0.00 0.00 80 Y 8.14 4.46 0.00 3.19 3.23 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 81 P 0.00 3.00 0.00 1.72 1.36 0.00 3.72 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 0.89 1.56 0.00 82 Y 7.84 3.95 0.00 3.12 3.06 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 0.00 83 N 7.77 5.05 0.00 2.67 2.62 0.00 0.00 6.93 8.02 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 84 P 0.00 2.97 0.00 1.75 1.43 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.00 0.00 85 P 0.00 4.53 0.00 2.00 1.94 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 86 I 8.45 4.23 1.90 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 1.16 0.70 0.79 0.00 0.00 87 C 8.27 5.37 0.00 2.76 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 88 F 9.16 5.45 0.00 3.02 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 89 V 8.70 4.43 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 0.65 0.00 0.00 0.81 0.00 0.00 90 K 8.71 4.71 0.00 1.59 1.71 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.49 7.81 91 P 0.00 4.25 0.00 2.16 2.03 0.00 3.80 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 1.99 1.96 0.00 92 T 8.05 4.46 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 93 S 8.51 4.18 0.00 4.00 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 94 S 7.78 4.51 0.00 4.12 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 95 M 7.77 5.42 0.00 2.01 2.08 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 2.55 2.52 0.00 96 T 8.98 4.68 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 1.31 0.00 0.00 97 I 8.52 4.22 1.87 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 1.24 1.05 0.93 0.00 0.00 98 K 8.74 4.51 0.00 1.95 1.75 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.52 7.81 99 T 8.62 4.24 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 1.22 0.00 0.00 100 G 8.89 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 0.00 101 K 9.21 3.71 0.00 1.67 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.99 1.35 7.81 102 H 8.13 5.08 0.00 3.42 3.52 0.00 5.89 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.72 4.90 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 1.13 0.00 0.00 1.03 0.00 0.00 104 D 9.00 4.70 0.00 2.99 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 0.00 105 A 8.63 4.03 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 0.00 106 N 8.81 4.72 0.00 3.04 3.03 0.00 0.00 7.14 7.83 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 0.00 107 G 8.59 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 0.00 108 K 8.25 4.17 0.00 1.89 2.16 0.00 1.50 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.96 0.83 7.81 109 I 8.26 4.96 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.78 1.06 0.00 0.00 110 Y 9.17 4.75 0.00 2.91 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 0.00 111 L 8.47 4.96 0.00 1.75 1.56 0.80 0.86 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 0.00 112 P 0.00 4.35 0.00 2.24 2.19 0.00 3.68 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 2.19 2.24 0.00 113 Y 8.08 4.03 0.00 2.95 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 0.00 114 L 8.02 4.49 0.00 1.95 1.72 0.90 1.14 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 0.00 115 H 8.53 4.32 0.00 3.17 3.56 0.00 5.91 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.85 4.50 0.00 2.06 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 2.50 2.08 0.00 117 W 7.38 3.86 0.00 3.54 2.99 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 0.00 0.00 0.00 118 K 8.08 4.37 0.00 1.76 1.40 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.46 7.81 119 H 8.56 4.21 0.00 2.84 2.62 0.00 5.96 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.06 0.00 1.93 1.56 0.00 3.63 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 121 Q 7.71 3.93 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 122 S 7.34 3.79 0.00 2.72 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 0.00 123 D 8.38 4.83 0.00 3.24 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 0.00 124 L 8.69 4.34 0.00 2.12 1.86 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.63 4.23 0.00 1.76 1.79 0.96 0.85 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 0.00 126 G 8.97 3.49 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 0.00 0.00 0.00 127 L 7.79 3.28 0.00 2.28 2.02 1.08 1.14 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 0.00 128 I 7.96 3.49 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.44 0.04 0.00 0.00 129 Q 7.93 3.91 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 130 V 7.45 3.43 1.86 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 0.68 0.00 0.00 0.60 0.00 0.00 131 M 7.83 3.35 0.00 1.75 2.02 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 2.14 0.00 132 I 7.76 3.79 2.01 0.00 0.00 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 1.53 0.92 1.00 0.00 0.00 133 V 7.57 3.58 2.14 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 0.98 0.00 0.00 0.94 0.00 0.00 134 V 8.01 3.56 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.80 0.00 0.00 135 F 7.91 5.06 0.00 3.10 2.83 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 0.00 136 G 7.76 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 0.00 0.00 0.00 0.00 137 D 7.59 4.99 0.00 2.80 2.94 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 0.00 0.00 0.00 138 E 8.48 4.56 0.00 2.13 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 2.32 2.35 0.00 139 P 0.00 4.07 0.00 0.49 1.00 0.00 3.37 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.00 0.00 140 P 0.00 4.42 0.00 1.62 1.45 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 141 V 6.63 4.82 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 0.55 0.00 0.00 0.64 0.00 0.00 142 F 8.90 4.72 0.00 2.88 2.79 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 0.00 143 S 8.81 4.69 0.00 3.93 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 0.00 144 R 8.60 4.27 0.00 1.76 1.87 0.00 3.29 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 145 P 0.00 4.41 0.00 2.18 2.03 0.00 3.80 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.