NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.9678 8.2916 119.4453 56.0045 29.1975 176.2873 2 K 4.3451 7.6830 120.6313 52.9794 30.8413 169.6752 3 V 4.1915 7.6797 121.0656 61.6578 32.8661 176.2073 4 T 4.7285 9.4772 116.4963 59.6630 71.9713 173.1942 5 Q 4.8533 8.5913 122.5594 54.4184 30.5486 175.5541 6 T 4.0095 8.7589 115.6900 64.1836 69.3938 175.2962 7 Q 4.1541 7.9672 121.5337 56.0160 29.1249 175.9904 8 T 4.1980 8.6414 120.5292 66.5177 69.7047 174.5372 9 S 4.8570 7.6849 112.4526 57.3128 65.7597 174.0079 10 I 4.6241 8.9484 125.5959 59.7368 41.1273 173.9720 11 S 5.2589 8.8257 121.9985 56.4246 64.4292 173.2801 12 V 4.6251 8.8963 126.0822 60.1803 34.9953 174.4314 13 M 4.8240 8.5987 121.6806 55.0954 32.6281 176.0128 14 E 4.0283 8.8205 120.3100 56.4692 30.7461 176.2969 15 K 3.9112 8.5042 116.6374 57.7060 30.3984 175.5052 16 T 4.7408 7.4084 113.8749 61.8489 72.1012 173.5773 17 T 4.6503 8.4430 121.5934 63.2792 69.4407 174.4581 18 V 4.4001 8.4915 126.0434 59.9048 34.6397 174.4339 19 T 4.8087 8.4890 118.4798 60.6090 69.6237 172.6676 20 M 4.6430 8.4871 129.7811 53.9314 33.4934 175.8790 21 D 5.0099 9.9696 125.2252 54.6182 42.5505 175.8880 22 C 4.9177 8.7382 120.3758 56.1450 45.0893 172.5352 23 V 4.9715 8.8844 127.3943 61.4649 33.7718 173.9932 24 Y 5.2582 8.1109 123.6054 55.4692 42.3736 173.7170 25 E 4.7793 8.5261 117.7888 55.1830 33.7634 174.5479 26 T 4.5745 8.3339 116.5025 61.4792 69.6897 172.8257 27 Q 4.2692 8.6921 127.6502 57.5834 29.9667 176.0399 28 D 4.5469 7.3701 116.1609 54.8510 41.3312 177.1797 29 S 4.3806 8.9557 119.1266 60.6810 63.2472 174.5902 30 S 4.5499 7.5857 112.8008 56.5552 65.1105 171.7944 30A Y 4.7090 7.0663 122.4803 56.7744 41.8392 172.3760 31 F 5.0081 8.5419 116.5289 55.8776 43.2211 174.1261 32 L 5.1381 8.3722 123.1225 53.3251 44.0966 175.5914 33 F 5.4619 9.7768 120.7665 55.8451 44.2558 173.8931 34 W 5.6005 8.7843 119.5794 55.7306 33.1853 174.1623 35 Y 5.2636 9.9390 121.9892 56.0395 41.8516 174.3708 36 K 4.8506 9.2352 121.3261 54.6935 35.9317 174.5524 37 Q 5.8083 9.1802 127.0806 53.6491 32.5416 174.4392 38 T 4.7221 8.3021 114.7680 59.4687 71.8586 174.7795 39 A 4.0805 8.7931 124.1724 55.3444 18.3332 179.2646 40 S 4.1415 7.9976 109.2590 60.0269 63.0395 175.1066 41 G 3.9267 8.8056 109.2331 45.2933 0.0000 172.3146 42 E 4.7600 7.6128 115.5853 54.1768 32.0744 175.0852 43 I 4.8088 8.3161 123.3224 60.7554 38.9967 175.4411 44 V 4.5892 9.0384 125.0572 61.1091 34.8363 174.2110 45 F 3.8626 9.2667 130.6774 58.6674 39.5367 173.5348 46 L 4.4813 7.0268 124.5006 55.6440 43.3128 176.3714 47 I 4.0690 6.0188 115.7575 60.0894 41.2532 172.3234 48 R 4.7319 8.5297 125.2951 54.5337 33.8946 173.7815 49 Q 4.4326 8.7548 123.0769 54.2199 32.7728 173.4018 50 D 4.4984 8.0806 125.3666 52.0172 42.3145 177.4284 51 S 3.4328 7.1017 119.5277 60.6991 62.6625 174.7557 52 Y 4.5716 6.3300 117.1450 56.2937 38.3566 175.0672 53 K 4.5820 7.9404 120.7867 55.0333 33.7170 177.3719 54 K 4.2633 8.8958 124.4174 58.0194 32.3206 177.0473 55 E 4.6968 7.3697 115.9559 54.2818 31.3590 175.5077 56 N 4.7083 8.5911 118.4309 53.1558 38.9982 175.0411 57 A 4.3306 8.9672 125.2071 52.7265 20.0147 176.4567 58 T 4.9406 8.1434 114.7520 62.4815 72.7340 173.8174 59 V 4.4187 8.8841 124.0812 62.6908 35.8864 174.8985 60 G 3.7623 8.0979 114.7689 47.3728 0.0000 173.5385 61 H 4.7358 8.1834 119.4749 55.1617 28.8045 173.5052 62 Y 4.8765 7.6796 118.7774 58.2894 39.3520 174.7387 63 S 4.9036 8.5292 117.4165 57.3379 67.9556 173.0926 64 L 5.0414 8.0887 121.3385 52.4844 44.0662 176.7700 65 N 4.8722 7.8777 121.5011 52.1938 36.7103 175.0394 66 F 4.7844 8.3265 122.1157 59.1256 40.8739 175.3526 67 Q 4.2272 8.7490 126.8952 52.5739 29.3930 175.3388 68 K 3.7881 6.7724 123.4397 59.0524 32.4252 175.5307 69 P 4.3216 0.0000 0.0000 64.8573 31.1303 177.2851 70 K 4.4105 8.1580 117.8031 55.8992 33.1712 176.4867 71 S 3.0863 7.4760 112.4905 58.0384 61.2177 171.2752 72 S 5.1396 7.2945 114.6258 56.4644 64.8400 173.5810 73 I 5.0639 8.2588 124.8844 60.4281 38.0796 174.0836 74 G 4.0923 8.2744 113.3798 46.0060 0.0000 170.5187 75 L 4.2066 8.2705 122.8821 52.9743 44.1711 175.4879 76 I 4.6075 8.3561 126.4560 59.7017 39.9221 174.5220 77 I 4.3896 8.2555 129.7841 60.0034 38.3482 175.1507 78 T 4.6062 8.0985 118.1945 60.0808 70.5343 174.6561 79 A 3.6412 8.4991 125.5993 52.9562 15.9932 176.6903 80 T 4.2031 7.3498 111.1558 62.1258 69.6546 172.7172 81 Q 4.8710 7.9741 117.7631 55.4903 30.7802 174.8093 82 I 3.8740 8.3698 118.0310 63.7026 37.1393 177.1361 83 E 4.4072 8.0208 118.5485 57.9636 29.9213 177.2308 84 D 4.5752 8.0908 118.6190 57.1045 41.0547 175.5900 85 S 4.5520 8.3570 114.1273 59.2843 63.4185 173.8338 86 A 4.3247 8.3022 125.3614 51.8843 23.1179 173.7216 87 V 4.4804 7.8338 117.4779 61.8451 33.3936 174.8741 88 Y 4.9411 9.1019 126.7490 56.8657 39.6316 174.6992 89 F 5.2688 9.5404 123.5043 55.8219 42.4766 173.6623 90 C 4.5055 8.5841 121.3589 54.4682 44.2516 172.3414 91 A 4.9919 8.8249 126.9356 50.3478 22.8648 174.1883 92 M 5.1722 8.4867 119.7118 53.6684 35.2242 174.4335 93 R 4.3384 9.3889 127.5379 55.2187 31.3985 175.5437 *95 G 3.7412 8.5227 115.2079 44.6595 0.0000 170.9377 96 D 4.2632 7.4186 123.4387 54.6174 43.6509 174.7970 97 Y 5.1209 8.6080 117.8394 57.6719 40.4320 174.2791 98 G 4.2328 9.0582 118.6721 46.0391 0.0000 174.1110 99 G 4.1016 7.9864 108.1648 44.8319 0.0000 173.3890 100 S 4.6434 7.5526 114.9663 56.3355 61.4966 174.6114 101 G 3.8674 8.6741 107.7814 46.0851 0.0000 172.5336 102 N 4.5650 8.2137 116.0914 52.5780 39.2728 175.8440 103 K 4.3562 7.4720 121.4939 54.9806 31.6491 175.1146 104 L 4.2510 8.0499 125.2550 53.5777 43.4269 175.9407 105 I 4.3529 8.1021 123.1986 59.8284 38.9525 175.0759 106 F 4.9079 8.8883 125.9406 56.1384 40.9427 175.9850 107 G 4.1290 8.8860 109.3908 45.2115 0.0000 174.8933 108 T 3.9541 8.6662 110.1743 63.0212 68.6595 175.4919 109 G 3.6741 8.2400 107.5601 45.7761 0.0000 172.7078 110 T 4.5594 8.3381 117.7625 61.3075 72.4131 172.8167 111 L 4.6974 8.3955 129.7170 54.2864 43.2358 175.0713 112 L 4.8581 9.0722 129.8997 54.1925 43.9435 175.1562 113 S 4.6188 9.5037 121.0483 56.6158 65.0251 173.1283 114 V 4.6203 8.3858 129.2807 61.4791 31.6373 175.4116 115 K 4.3412 9.0154 129.9071 55.2019 33.0981 176.3837 116 P 4.7717 0.0000 0.0000 62.7315 32.3086 175.5305 117 G 3.8590 8.4513 105.1675 45.2021 0.0000 173.8976 118 S 4.5002 7.9217 117.8814 58.9570 62.8306 176.2302 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 1 Q 8.29 4.97 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.27 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 2 K 7.68 4.35 0.00 1.82 1.87 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.51 7.81 3 V 7.68 4.19 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 0.80 0.00 0.00 0.95 0.00 0.00 4 T 9.48 4.73 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 5 Q 8.59 4.85 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.15 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 6 T 8.76 4.01 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 1.23 0.00 0.00 7 Q 7.97 4.15 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.13 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 8 T 8.64 4.20 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 1.22 0.00 0.00 9 S 7.68 4.86 0.00 3.84 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 10 I 8.95 4.62 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.75 0.88 0.00 0.00 11 S 8.83 5.26 0.00 3.84 3.72 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 12 V 8.90 4.63 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 0.76 0.00 0.00 0.91 0.00 0.00 13 M 8.60 4.82 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 14 E 8.82 4.03 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 2.31 2.30 0.00 15 K 8.50 3.91 0.00 1.92 1.92 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 16 T 7.41 4.74 4.36 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 1.19 0.00 0.00 17 T 8.44 4.65 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 1.17 0.00 0.00 18 V 8.49 4.40 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 0.65 0.00 0.00 0.83 0.00 0.00 19 T 8.49 4.81 4.17 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 1.17 0.00 0.00 20 M 8.49 4.64 0.00 2.12 1.67 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 21 D 9.97 5.01 0.00 2.64 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 22 C 8.74 4.92 0.00 3.16 3.40 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 23 V 8.88 4.97 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 0.82 0.00 0.00 0.91 0.00 0.00 24 Y 8.11 5.26 0.00 2.95 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 25 E 8.53 4.78 0.00 1.99 1.82 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 2.27 2.28 0.00 26 T 8.33 4.57 3.90 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 0.00 0.00 0.38 0.00 0.00 27 Q 8.69 4.27 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 28 D 7.37 4.55 0.00 2.68 2.71 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 29 S 8.96 4.38 0.00 3.97 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 30 S 7.59 4.55 0.00 3.90 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 30A Y 7.07 4.71 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.54 5.01 0.00 3.25 2.71 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 32 L 8.37 5.14 0.00 1.48 1.51 0.82 -0.02 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 33 F 9.78 5.46 0.00 3.16 3.25 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 34 W 8.78 5.60 0.00 3.09 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 35 Y 9.94 5.26 0.00 3.16 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 36 K 9.24 4.85 0.00 1.29 1.50 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.21 0.99 7.81 37 Q 9.18 5.81 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.35 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 38 T 8.30 4.72 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 39 A 8.79 4.08 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 40 S 8.00 4.14 0.00 4.00 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 41 G 8.81 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 42 E 7.61 4.76 0.00 2.04 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 2.21 2.29 0.00 43 I 8.32 4.81 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 1.07 0.00 0.00 44 V 9.04 4.59 2.16 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 1.11 0.00 0.00 1.01 0.00 0.00 45 F 9.27 3.86 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 46 L 7.03 4.48 0.00 1.52 1.16 0.96 0.65 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 47 I 6.02 4.07 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.09 0.80 0.00 0.00 48 R 8.53 4.73 0.00 2.05 1.81 0.00 2.92 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.00 49 Q 8.75 4.43 0.00 1.97 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 50 D 8.08 4.50 0.00 2.16 1.54 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 51 S 7.10 3.43 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 52 Y 6.33 4.57 0.00 2.97 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 53 K 7.94 4.58 0.00 1.83 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.44 7.81 54 K 8.90 4.26 0.00 1.77 1.91 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.53 7.81 55 E 7.37 4.70 0.00 2.21 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 2.27 2.30 0.00 56 N 8.59 4.71 0.00 2.67 3.09 0.00 0.00 6.93 7.35 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 57 A 8.97 4.33 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 58 T 8.14 4.94 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 1.25 0.00 0.00 59 V 8.88 4.42 2.16 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 1.00 0.00 0.00 0.98 0.00 0.00 60 G 8.10 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 61 H 8.18 4.74 0.00 3.33 3.36 0.00 5.47 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 62 Y 7.68 4.88 0.00 2.97 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.53 4.90 0.00 3.64 3.67 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 64 L 8.09 5.04 0.00 1.58 1.63 0.99 0.73 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 65 N 7.88 4.87 0.00 2.71 2.77 0.00 0.00 7.10 8.23 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 66 F 8.33 4.78 0.00 2.93 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 67 Q 8.75 4.23 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.40 0.00 0.00 0.00 0.00 0.00 2.20 2.52 0.00 68 K 6.77 3.79 0.00 1.09 1.61 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.89 7.81 69 P 0.00 4.32 0.00 2.21 2.12 0.00 3.48 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 70 K 8.16 4.41 0.00 1.67 1.74 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.38 7.81 71 S 7.48 3.09 0.00 3.63 3.22 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 72 S 7.29 5.14 0.00 3.79 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 73 I 8.26 5.06 2.42 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 1.39 1.07 1.35 0.00 0.00 74 G 8.27 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 75 L 8.27 4.21 0.00 0.27 0.13 0.39 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.36 4.61 1.89 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 1.12 0.67 0.84 0.00 0.00 77 I 8.26 4.39 1.69 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.55 0.86 0.00 0.00 78 T 8.10 4.61 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 1.17 0.00 0.00 79 A 8.50 3.64 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 80 T 7.35 4.20 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 1.21 0.00 0.00 81 Q 7.97 4.87 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 82 I 8.37 3.87 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 1.43 0.82 0.93 0.00 0.00 83 E 8.02 4.41 0.00 1.98 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 0.00 2.28 2.41 0.00 84 D 8.09 4.58 0.00 2.96 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 85 S 8.36 4.55 0.00 3.80 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 86 A 8.30 4.32 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 87 V 7.83 4.48 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 0.54 0.00 0.00 0.89 0.00 0.00 88 Y 9.10 4.94 0.00 3.10 3.37 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 89 F 9.54 5.27 0.00 3.21 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 90 C 8.58 4.51 0.00 1.23 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 4.99 0.37 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 92 M 8.49 5.17 0.00 1.94 1.69 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 2.15 2.29 0.00 93 R 9.39 4.34 0.00 1.94 2.12 0.00 3.44 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 *95 G 8.52 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 0.00 0.00 0.00 96 D 7.42 4.26 0.00 2.62 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 97 Y 8.61 5.12 0.00 2.96 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 98 G 9.06 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 99 G 7.99 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 0.00 100 S 7.55 4.64 0.00 4.01 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 0.00 101 G 8.67 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.21 4.56 0.00 2.70 2.81 0.00 0.00 6.69 7.61 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 0.00 103 K 7.47 4.36 0.00 1.73 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.42 7.81 104 L 8.05 4.25 0.00 1.24 0.76 0.60 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.10 4.35 1.76 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 1.18 0.76 0.93 0.00 0.00 106 F 8.89 4.91 0.00 2.74 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 0.00 107 G 8.89 4.13 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 0.00 108 T 8.67 3.95 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 1.25 0.00 0.00 109 G 8.24 3.67 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 0.00 0.00 0.00 110 T 8.34 4.56 4.37 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 1.28 0.00 0.00 111 L 8.40 4.70 0.00 1.71 1.55 0.99 0.34 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 0.00 112 L 9.07 4.86 0.00 1.82 1.86 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.50 4.62 0.00 3.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.39 4.62 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 0.85 0.00 0.00 0.99 0.00 0.00 115 K 9.02 4.34 0.00 1.72 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.39 7.81 116 P 0.00 4.77 0.00 2.18 2.11 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 117 G 8.45 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 0.00 118 S 7.92 4.50 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.