NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3694 8.2993 119.9977 56.9960 33.2527 174.8794 12 F 4.6275 9.8313 120.7076 58.7179 39.4012 178.4721 13 R 2.5575 8.1751 111.1301 54.4426 32.5507 176.0636 14 V 3.2475 8.1449 116.7382 59.0095 32.1969 171.0663 15 R 3.6860 7.7889 112.7485 56.6630 28.5596 178.0487 16 N 3.6742 7.5735 117.4648 55.5336 37.4235 177.0020 17 R 4.0987 7.7400 115.0151 58.4070 29.5723 178.4536 18 I 3.7782 8.2809 120.3913 63.6991 37.1411 177.1180 19 K 4.2679 8.0666 122.7951 56.5587 31.6699 178.0760 20 R 4.2722 7.0930 116.0526 54.5777 28.5321 175.9986 21 T 4.5154 8.8274 113.9840 63.4812 71.0086 174.7567 22 G 4.3456 8.2391 119.8804 44.7459 0.0000 174.5076 23 R 4.1523 8.7536 120.3836 56.6545 32.5175 170.5945 24 L 3.5994 7.7523 125.8342 54.7578 38.2599 172.1939 25 R 4.6854 9.0043 123.8259 54.7541 31.9074 174.7607 26 L 4.6754 9.2431 130.0909 53.9966 42.5644 174.2076 27 S 4.6674 8.9138 121.7286 56.9832 63.7495 173.0631 28 V 4.8805 8.2533 126.4725 61.5032 34.2366 175.1238 29 F 5.0832 9.2147 127.1004 56.9468 41.9500 173.0614 30 R 4.5896 8.9997 127.2022 55.6798 30.7890 175.4503 31 S 4.6885 8.4068 119.6927 55.8580 65.6088 173.5763 32 L 4.0800 8.6736 124.7623 57.6763 41.4998 178.6730 33 K 4.2959 7.8730 115.8163 58.2068 33.6636 176.2428 34 H 5.0603 7.1161 117.8397 55.9593 32.2240 173.0095 35 I 4.3763 7.4922 117.4692 61.9573 40.9940 174.5780 36 Y 4.7548 8.7510 127.6164 56.6998 41.4133 174.6192 37 A 5.0840 8.0205 117.6929 51.6394 23.4429 175.6246 38 Q 4.9456 9.0307 120.6392 54.5426 32.6597 174.6157 39 I 4.5911 8.9082 124.4961 60.7943 37.7961 174.8635 40 I 4.7575 9.0874 128.9592 59.9021 39.4756 175.0452 41 D 4.9734 8.8767 124.4882 52.5912 43.2329 175.7103 42 D 4.7794 8.3069 128.0050 55.3419 41.9625 177.3670 43 E 3.9784 8.9500 121.3505 57.8377 27.2176 174.8332 44 K 4.4367 8.2448 115.3131 55.8233 39.3645 175.6730 45 G 4.0101 8.0971 107.0670 46.4074 0.0000 173.0075 46 V 4.4761 7.4612 115.5794 61.1331 35.3421 173.6418 47 T 4.7407 8.3616 121.0539 62.2497 69.9264 174.4965 48 L 4.5970 8.4813 125.4918 55.7081 43.6695 177.2770 49 V 4.7091 7.5613 117.2121 61.2408 35.1742 174.1897 50 S 5.2129 8.6247 119.8866 57.0239 66.3291 173.7956 51 A 4.4099 8.8940 124.1011 51.5252 21.4578 176.2189 52 S 4.5838 8.5585 117.7978 59.0261 65.1729 176.3339 53 S 4.1038 7.8909 119.3849 59.5102 60.3686 175.7111 54 L 4.0482 8.5590 121.7914 55.7076 41.8890 177.3752 55 A 4.4210 7.4302 120.8606 52.3164 18.7053 177.3389 56 L 4.5762 7.2488 115.1592 53.4000 43.6586 172.3533 57 K 3.8051 8.0144 124.7495 56.4702 32.7150 174.5952 58 L 4.1525 8.1870 123.0055 53.8617 44.7334 172.4283 59 K 3.8993 8.3935 121.1632 56.3650 32.0320 175.2960 60 G 3.9754 8.2998 105.7401 45.5182 0.0000 174.3707 61 N 4.6610 7.7798 118.7146 53.1885 39.9757 171.9031 62 K 4.4425 10.0838 111.1603 58.3833 34.9760 178.6091 63 T 3.6887 7.9975 108.5555 65.0860 68.9140 175.9354 64 E 3.8927 8.2157 121.7726 59.0778 29.3876 179.5311 65 V 3.5588 7.3940 117.3775 65.6737 31.4976 177.7902 66 A 3.9554 8.0066 120.6658 55.2579 18.2025 179.5190 67 R 3.8466 7.9673 115.6941 59.6685 30.2304 179.0713 68 Q 3.9892 7.9527 117.5810 59.0287 28.5709 179.3524 69 V 3.9056 8.1847 119.5885 64.3824 31.3973 177.6522 70 G 3.7902 8.1724 108.1761 46.6462 0.0000 175.5228 71 R 3.9202 8.6236 119.4373 58.7627 30.5218 178.4830 72 A 3.9516 8.0224 119.8860 55.5214 18.2629 179.1253 73 L 3.8381 7.7895 117.1086 58.4051 42.1593 178.9665 74 A 3.9992 7.7957 119.9611 55.8002 18.3497 178.7092 75 E 3.9983 8.5808 117.7312 59.2794 29.4466 178.7899 76 K 3.8528 8.0742 118.6557 60.4935 32.5424 178.2118 77 A 3.9654 8.8255 120.9269 54.4373 18.0394 179.0929 78 L 3.7301 8.6850 116.2173 57.7162 41.8583 179.8421 79 A 3.9944 7.7192 119.4673 54.7922 18.3641 178.1724 80 L 4.2192 8.4389 114.8040 54.9252 42.0740 177.6084 81 G 3.9514 8.3128 107.5934 45.5801 0.0000 175.2915 82 I 4.0528 7.2178 121.4303 60.4345 34.5065 175.6463 83 K 4.1101 7.9528 125.6367 57.5572 33.0864 176.0088 84 Q 4.4145 7.5342 116.5670 53.8474 31.0616 175.6013 85 V 4.3906 7.8268 110.9853 60.6300 35.2485 173.5060 86 A 4.8291 8.5454 120.9971 50.8971 22.5561 175.7090 87 F 4.8037 9.0027 124.1419 56.8643 40.3320 173.4659 88 D 4.3929 8.0069 124.3866 52.2214 42.6264 177.4412 89 R 3.5946 8.8124 122.5745 55.2731 27.1973 175.8244 90 G 3.3632 7.7278 110.4194 49.0078 0.0000 169.9709 91 P 4.3757 0.0000 0.0000 63.5567 31.0090 178.9851 92 Y 3.6128 7.0341 113.2344 55.4856 39.6675 175.7520 93 K 3.3108 6.3414 122.2403 61.6805 30.1681 178.1335 94 Y 3.8903 5.4829 118.0712 57.9978 36.4673 173.0004 95 H 4.1396 8.3720 124.4971 57.4334 34.5359 176.4326 96 G 3.0597 7.6624 107.6077 46.0717 0.0000 177.0061 97 R 3.9297 9.0246 115.6304 56.1534 29.8861 177.4519 98 V 3.3248 9.2261 118.6337 64.0353 31.7750 177.1673 99 K 4.2682 8.3424 131.4806 55.7685 31.2855 179.5941 100 A 4.3211 7.3459 123.4554 52.2366 16.3160 177.3206 101 L 4.5357 7.3648 121.5373 53.5459 44.0065 180.4724 102 A 4.3194 8.7557 123.6432 52.6788 18.6203 182.1476 103 E 3.5347 9.5645 114.9683 56.7473 31.8965 180.6339 104 G 3.4619 8.2848 116.1654 46.9821 0.0000 174.7412 105 A 4.4223 9.6346 135.0000 52.5638 18.3812 177.8696 106 R 4.5945 7.7225 117.0754 55.3601 32.4520 176.5948 107 E 3.3410 8.4877 120.2355 57.0397 30.3935 178.4326 108 G 3.4430 8.1234 100.8824 46.6805 0.0000 175.0651 *109 G 3.7078 7.8042 111.6406 45.6333 0.0000 172.4645 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 11 K 8.30 4.37 0.00 1.96 1.96 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 12 F 9.83 4.63 0.00 3.19 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 13 R 8.18 2.56 0.00 2.00 2.02 0.00 3.15 0.00 0.00 3.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 14 V 8.14 3.25 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 0.85 0.00 0.00 0.95 0.00 0.00 15 R 7.79 3.69 0.00 1.96 1.86 0.00 3.17 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 16 N 7.57 3.67 0.00 2.87 3.03 0.00 0.00 6.77 7.40 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 17 R 7.74 4.10 0.00 1.87 2.15 0.00 2.85 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 18 I 8.28 3.78 1.87 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 1.13 0.66 0.88 0.00 0.00 19 K 8.07 4.27 0.00 1.75 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.39 7.81 20 R 7.09 4.27 0.00 1.96 1.84 0.00 3.30 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 21 T 8.83 4.52 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 22 G 8.24 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 0.00 0.00 0.00 0.00 23 R 8.75 4.15 0.00 1.76 1.79 0.00 3.37 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 24 L 7.75 3.60 0.00 1.89 1.73 0.93 0.73 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 25 R 9.00 4.69 0.00 1.80 1.76 0.00 3.00 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 26 L 9.24 4.68 0.00 1.77 1.89 1.28 0.79 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 27 S 8.91 4.67 0.00 3.93 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.88 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 1.02 0.00 0.00 1.04 0.00 0.00 29 F 9.21 5.08 0.00 3.01 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 30 R 9.00 4.59 0.00 1.95 1.94 0.00 3.29 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 31 S 8.41 4.69 0.00 3.41 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 32 L 8.67 4.08 0.00 1.66 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.87 4.30 0.00 1.57 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 34 H 7.12 5.06 0.00 2.68 2.73 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.49 4.38 1.84 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 1.40 1.32 0.85 0.00 0.00 36 Y 8.75 4.75 0.00 3.09 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 37 A 8.02 5.08 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 38 Q 9.03 4.95 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 39 I 8.91 4.59 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.93 0.00 0.00 40 I 9.09 4.76 1.85 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 1.11 0.78 0.93 0.00 0.00 41 D 8.88 4.97 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.31 4.78 0.00 2.81 2.61 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 43 E 8.95 3.98 0.00 2.10 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 2.20 2.30 0.00 44 K 8.24 4.44 0.00 1.94 1.78 0.00 1.85 0.00 0.00 2.01 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.37 7.81 45 G 8.10 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 0.00 0.00 0.00 46 V 7.46 4.48 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 1.07 0.00 0.00 0.96 0.00 0.00 47 T 8.36 4.74 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 1.29 0.00 0.00 48 L 8.48 4.60 0.00 1.67 1.71 0.93 0.62 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 49 V 7.56 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 1.15 0.00 0.00 0.95 0.00 0.00 50 S 8.62 5.21 0.00 3.91 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 51 A 8.89 4.41 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 52 S 8.56 4.58 0.00 3.63 3.60 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 53 S 7.89 4.10 0.00 3.83 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 54 L 8.56 4.05 0.00 0.71 1.40 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.43 4.42 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 56 L 7.25 4.58 0.00 1.58 1.75 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.01 3.81 0.00 1.96 1.79 0.00 2.01 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.48 7.81 58 L 8.19 4.15 0.00 1.45 1.42 0.94 0.62 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 59 K 8.39 3.90 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.46 7.81 60 G 8.30 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 61 N 7.78 4.66 0.00 2.67 2.74 0.00 0.00 6.81 6.68 0.00 0.00 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 10.08 4.44 0.00 1.76 1.72 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.46 7.81 63 T 8.00 3.69 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 1.16 0.00 0.00 64 E 8.22 3.89 0.00 2.05 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 0.00 2.39 2.43 0.00 65 V 7.39 3.56 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 0.92 0.00 0.00 66 A 8.01 3.96 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 67 R 7.97 3.85 0.00 2.01 1.99 0.00 3.12 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 68 Q 7.95 3.99 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 69 V 8.18 3.91 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 0.94 0.00 0.00 0.98 0.00 0.00 70 G 8.17 3.79 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 0.00 0.00 0.00 71 R 8.62 3.92 0.00 1.85 2.03 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 72 A 8.02 3.95 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 73 L 7.79 3.84 0.00 1.92 1.73 1.07 1.11 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 74 A 7.80 4.00 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 75 E 8.58 4.00 0.00 2.13 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 2.31 2.36 0.00 76 K 8.07 3.85 0.00 1.92 1.91 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.78 7.81 77 A 8.83 3.97 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 78 L 8.69 3.73 0.00 1.69 1.78 0.93 1.19 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 79 A 7.72 3.99 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 80 L 8.44 4.22 0.00 1.78 1.72 0.93 1.16 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 81 G 8.31 3.95 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 0.00 0.00 0.00 82 I 7.22 4.05 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 1.41 0.86 0.93 0.00 0.00 83 K 7.95 4.11 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.43 7.81 84 Q 7.53 4.41 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.46 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 85 V 7.83 4.39 2.27 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 0.74 0.00 0.00 1.01 0.00 0.00 86 A 8.55 4.83 1.24 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 0.00 0.00 87 F 9.00 4.80 0.00 3.06 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 88 D 8.01 4.39 0.00 2.51 1.65 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 89 R 8.81 3.59 0.00 2.00 1.90 0.00 3.55 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 90 G 7.73 3.36 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 0.00 91 P 0.00 4.38 0.00 2.13 1.46 0.00 3.64 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.64 0.00 92 Y 7.03 3.61 0.00 3.23 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 93 K 6.34 3.31 0.00 2.14 2.02 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.43 7.81 94 Y 5.48 3.89 0.00 2.72 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 95 H 8.37 4.14 0.00 3.01 3.18 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.66 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 0.00 0.00 0.00 97 R 9.02 3.93 0.00 1.93 2.05 0.00 3.28 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 98 V 9.23 3.32 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 0.54 0.00 0.00 0.11 0.00 0.00 99 K 8.34 4.27 0.00 1.84 1.81 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.53 7.81 100 A 7.35 4.32 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 0.00 0.00 0.00 0.00 0.00 101 L 7.36 4.54 0.00 1.75 1.68 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.76 4.32 1.01 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 0.00 0.00 103 E 9.56 3.53 0.00 2.05 1.47 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 2.28 2.29 0.00 104 G 8.28 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.63 4.42 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 0.00 106 R 7.72 4.59 0.00 1.79 1.92 0.00 3.59 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 107 E 8.49 3.34 0.00 2.03 1.12 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 2.20 2.33 0.00 108 G 8.12 3.44 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 0.00 0.00 0.00 0.00 *109 G 7.80 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.