NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Q 4.4142 8.3449 119.1190 54.5631 30.7081 175.3711 12 R 4.6304 7.6451 114.4339 54.1397 34.0926 172.8254 13 K 4.5342 8.6253 120.4080 54.5826 36.7618 175.5161 14 V 4.1572 8.2648 122.8655 60.8603 32.4182 175.2623 15 V 3.7884 8.2928 128.0399 62.0925 32.0211 176.1375 16 S 4.2867 8.5664 121.7837 58.0475 64.1847 174.4611 17 W 4.3208 8.9725 135.0000 60.7177 30.4378 178.4382 18 I 2.2239 7.5064 119.6239 64.0404 36.3253 178.1880 19 D 4.2105 7.6965 117.6113 56.7107 41.0194 178.7710 20 V 3.6448 7.4656 119.4631 66.1403 31.6843 177.6412 21 Y 4.2283 7.3232 117.0224 59.6267 37.6904 177.7901 22 T 3.8270 6.9812 117.3981 66.5494 68.6582 176.0968 23 R 4.1765 7.7483 116.5863 57.3327 30.8118 177.2084 24 A 4.2730 7.4276 120.3500 54.0260 19.3126 177.6668 25 T 4.4492 7.5276 112.0934 63.4678 69.4895 174.0907 26 C 4.8041 8.9506 123.8072 56.7217 39.1305 172.2388 27 Q 4.6991 8.3059 123.4496 53.7184 32.5405 172.0471 28 P 4.7799 0.0000 0.0000 62.7454 31.8482 176.3587 29 R 4.7200 9.1659 120.4546 54.1697 33.5845 173.8727 30 E 4.3647 8.7559 121.8880 56.3648 30.4693 176.0104 31 V 4.4760 8.4652 126.7041 60.9176 34.9918 174.7903 32 V 4.2431 8.5261 121.4159 61.3008 32.4621 175.5545 33 V 4.3130 9.0443 126.0678 60.2665 33.7806 172.8995 34 P 4.6698 0.0000 0.0000 62.5227 31.9545 176.0648 35 L 4.4906 8.6855 125.9836 54.1633 42.3937 176.5207 36 T 4.6998 8.3116 113.2649 59.4033 71.6797 175.3965 37 V 3.9717 8.1496 114.4282 63.7347 31.9851 178.5656 38 E 4.0153 8.0897 118.6829 58.5436 30.0163 177.5287 39 L 4.1615 7.7319 119.9754 57.4865 42.2168 177.1477 40 M 4.6140 7.8897 110.9518 54.1764 32.3222 175.7976 41 G 3.8354 7.8994 107.5545 45.0779 0.0000 172.4457 42 T 4.5862 8.1647 107.9064 59.8118 70.5114 173.7581 43 V 4.2082 8.5342 124.0883 62.7716 33.8134 174.0507 44 A 4.7668 7.5178 119.6540 50.4094 22.3384 175.6484 45 K 4.2038 8.1377 117.6686 59.6336 32.5200 177.9257 46 Q 4.6710 7.7237 117.5664 54.9032 32.5856 173.0878 47 L 5.1110 8.5499 124.4408 53.0773 45.3347 175.2945 48 V 4.5236 8.4217 121.2237 60.2540 34.5684 173.6333 49 P 4.6066 0.0000 0.0000 62.7978 32.0229 176.7231 50 S 4.6343 8.8003 113.3675 58.9834 63.9327 172.8605 51 C 5.1746 7.6541 113.8274 57.3990 32.8438 173.2992 52 V 4.7325 8.7875 112.7783 59.9589 36.3410 174.2189 53 T 5.0615 8.4276 111.5514 60.2335 70.5732 174.0342 54 V 4.5599 8.3196 117.6548 59.2545 36.6985 174.9264 55 Q 4.4625 8.8408 122.3302 56.1947 29.3809 175.5443 56 R 4.6977 9.1894 123.3041 54.0427 34.6160 174.9423 57 C 4.9493 8.7181 118.8639 57.0206 36.4874 172.9178 58 G 4.0398 8.8213 111.2154 44.2507 0.0000 169.4443 59 G 4.1698 9.4704 103.6133 44.2021 0.0000 172.5821 60 C 4.7644 8.0046 113.0448 56.9135 32.7277 173.1551 61 C 4.6237 8.4931 119.0475 55.7745 41.0148 172.1583 62 P 4.3035 0.0000 0.0000 65.3465 31.3571 176.3461 63 D 4.7051 7.7924 117.4107 52.2847 42.3515 174.5696 64 D 4.2741 8.5025 126.5549 54.8549 41.5140 174.5794 65 G 3.5310 8.3568 115.2328 44.9319 0.0000 172.1446 66 L 5.2127 7.4482 119.9320 52.6727 44.2974 176.1658 67 E 4.3701 9.4773 122.7326 55.6579 31.9448 175.1499 68 C 4.6680 8.7073 122.3667 55.7389 40.6676 172.6431 69 V 4.8226 8.1698 119.6046 58.2759 35.1893 173.9312 70 P 4.7290 0.0000 0.0000 63.2663 32.0775 176.1109 71 T 4.2413 8.9219 113.0020 63.6506 69.6180 175.1229 72 G 4.4451 7.9168 109.5494 43.6891 0.0000 171.0712 73 Q 5.2714 8.4886 118.9822 54.6762 32.0808 173.5908 74 H 4.9810 9.3008 116.4445 53.9298 32.0511 172.3255 75 Q 4.5571 8.8507 121.7004 55.8639 29.3871 175.7175 76 V 4.5375 8.5147 117.9151 59.5547 34.5503 174.8759 77 R 5.1371 8.4758 119.9682 54.8303 31.3282 175.1456 78 M 4.8330 8.9485 122.4616 53.2523 35.8884 174.5948 79 Q 4.5885 8.6506 123.7624 55.8960 30.0158 174.7680 80 I 4.5778 8.7226 126.8650 58.9146 41.8710 174.0153 81 L 4.5351 8.4007 130.5075 54.8243 43.2179 175.5036 82 M 4.5420 8.8659 128.1895 54.1019 32.0675 176.0932 83 I 3.8844 8.0900 125.5572 60.4189 36.6974 174.7473 84 R 4.7782 8.0069 125.7200 54.3616 32.2431 175.8785 85 Y 4.1218 8.6964 121.7934 60.4301 38.5098 175.4012 86 P 4.4057 0.0000 0.0000 64.9702 31.5270 176.7855 87 S 4.3679 7.5044 110.0231 56.9768 64.8729 173.6732 88 S 4.4644 8.6347 123.9323 58.3748 62.8213 173.0289 89 Q 4.5532 8.7085 123.5503 54.4278 32.4826 174.2065 90 L 4.5722 8.6588 123.5059 54.4984 42.0954 175.3970 91 G 4.3308 8.5329 117.5611 44.6310 0.0000 169.7180 92 E 5.3481 8.7447 120.2854 54.6105 32.7458 175.9816 93 M 5.1332 9.1605 122.5051 53.7021 35.6269 173.7688 94 S 5.1876 8.4568 112.3120 56.7978 66.2407 173.3046 95 L 4.8796 8.7338 121.3010 52.7867 46.3857 175.1237 96 E 4.4451 8.7943 122.8676 56.0198 30.2517 175.2755 97 E 4.7869 8.6465 127.6135 54.6856 32.6460 174.4775 98 H 4.8773 8.9845 123.3255 55.9252 29.6006 175.0457 99 S 4.6699 8.9918 118.3211 60.0825 63.8937 174.3131 100 Q 4.6624 7.7909 119.0970 54.8417 32.5232 173.4268 101 C 5.5973 8.7616 120.5310 55.4128 39.8864 172.9575 102 E 4.7932 8.7783 118.8323 55.1548 34.2289 174.5510 103 C 5.0625 8.8323 119.9042 56.3029 35.6529 172.9065 104 R 4.7595 8.3164 123.0172 53.4635 32.2685 174.4808 105 P 4.8294 0.0000 0.0000 62.2899 32.1401 176.3268 106 K 4.0555 8.8567 127.1854 57.2869 32.6826 177.9676 107 K 3.9586 8.7395 129.0015 57.4827 32.1739 174.1371 *108 K 4.1936 7.9054 123.7178 54.8063 32.3269 178.1543 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 Q 8.34 4.41 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 12 R 7.65 4.63 0.00 1.81 1.80 0.00 3.12 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 13 K 8.63 4.53 0.00 1.68 1.65 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.34 7.81 14 V 8.26 4.16 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 0.81 0.00 0.00 0.94 0.00 0.00 15 V 8.29 3.79 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 0.80 0.00 0.00 0.93 0.00 0.00 16 S 8.57 4.29 0.00 3.95 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 17 W 8.97 4.32 0.00 3.44 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 2.22 1.72 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.60 0.00 0.00 19 D 7.70 4.21 0.00 2.71 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 20 V 7.47 3.64 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 0.99 0.00 0.00 21 Y 7.32 4.23 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.98 3.83 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 1.14 0.00 0.00 23 R 7.75 4.18 0.00 1.73 1.95 0.00 3.32 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 24 A 7.43 4.27 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 25 T 7.53 4.45 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 1.20 0.00 0.00 26 C 8.95 4.80 0.00 2.99 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 27 Q 8.31 4.70 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 28 P 0.00 4.78 0.00 1.97 2.06 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 29 R 9.17 4.72 0.00 1.78 1.95 0.00 2.76 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 30 E 8.76 4.36 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 2.28 2.30 0.00 31 V 8.47 4.48 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 0.91 0.00 0.00 0.98 0.00 0.00 32 V 8.53 4.24 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 0.69 0.00 0.00 0.92 0.00 0.00 33 V 9.04 4.31 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 0.97 0.00 0.00 0.91 0.00 0.00 34 P 0.00 4.67 0.00 1.97 1.98 0.00 3.72 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 2.02 2.11 0.00 35 L 8.69 4.49 0.00 1.63 1.62 0.95 0.81 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 36 T 8.31 4.70 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 1.21 0.00 0.00 37 V 8.15 3.97 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 0.83 0.00 0.00 0.93 0.00 0.00 38 E 8.09 4.02 0.00 1.95 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 2.28 2.29 0.00 39 L 7.73 4.16 0.00 1.54 1.69 0.92 1.23 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 40 M 7.89 4.61 0.00 2.13 2.06 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 2.48 2.45 0.00 41 G 7.90 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.16 4.59 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 43 V 8.53 4.21 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 0.85 0.00 0.00 0.94 0.00 0.00 44 A 7.52 4.77 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 45 K 8.14 4.20 0.00 2.02 1.97 0.00 1.99 0.00 0.00 1.69 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.53 1.52 7.81 46 Q 7.72 4.67 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 47 L 8.55 5.11 0.00 1.62 1.63 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.42 4.52 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 0.99 0.00 0.00 0.92 0.00 0.00 49 P 0.00 4.61 0.00 2.43 2.15 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 50 S 8.80 4.63 0.00 3.92 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 51 C 7.65 5.17 0.00 3.20 2.88 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 52 V 8.79 4.73 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 0.78 0.00 0.00 0.92 0.00 0.00 53 T 8.43 5.06 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 1.20 0.00 0.00 54 V 8.32 4.56 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 0.72 0.00 0.00 0.91 0.00 0.00 55 Q 8.84 4.46 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 56 R 9.19 4.70 0.00 1.55 1.61 0.00 3.03 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 57 C 8.72 4.95 0.00 2.94 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 58 G 8.82 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 0.00 0.00 0.00 59 G 9.47 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 0.00 0.00 0.00 0.00 60 C 8.00 4.76 0.00 3.07 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 61 C 8.49 4.62 0.00 3.08 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 62 P 0.00 4.30 0.00 2.02 2.08 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 63 D 7.79 4.71 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 64 D 8.50 4.27 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.36 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.45 5.21 0.00 1.67 1.56 0.92 0.88 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 67 E 9.48 4.37 0.00 2.00 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 0.00 2.47 2.25 0.00 68 C 8.71 4.67 0.00 3.01 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 69 V 8.17 4.82 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 0.74 0.00 0.00 0.93 0.00 0.00 70 P 0.00 4.73 0.00 2.04 1.92 0.00 3.76 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 1.93 1.85 0.00 71 T 8.92 4.24 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 1.21 0.00 0.00 72 G 7.92 4.45 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 0.00 0.00 0.00 73 Q 8.49 5.27 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 74 H 9.30 4.98 0.00 3.15 3.36 0.00 5.26 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 75 Q 8.85 4.56 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 76 V 8.51 4.54 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 0.83 0.00 0.00 0.94 0.00 0.00 77 R 8.48 5.14 0.00 1.87 1.90 0.00 3.27 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 78 M 8.95 4.83 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 79 Q 8.65 4.59 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 80 I 8.72 4.58 1.87 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 1.11 1.19 0.91 0.00 0.00 81 L 8.40 4.54 0.00 1.81 1.80 0.95 1.12 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 82 M 8.87 4.54 0.00 2.00 2.07 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 2.55 2.50 0.00 83 I 8.09 3.88 1.97 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 1.04 0.81 0.70 0.00 0.00 84 R 8.01 4.78 0.00 1.74 1.97 0.00 3.25 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 85 Y 8.70 4.12 0.00 2.99 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 86 P 0.00 4.41 0.00 2.06 2.15 0.00 3.79 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 2.07 2.13 0.00 87 S 7.50 4.37 0.00 3.79 3.70 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 0.00 0.00 0.00 0.00 88 S 8.63 4.46 0.00 3.81 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 89 Q 8.71 4.55 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 90 L 8.66 4.57 0.00 1.64 1.64 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.53 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 5.35 0.00 1.94 1.78 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 2.17 2.26 0.00 93 M 9.16 5.13 0.00 2.04 2.10 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 2.46 2.59 0.00 94 S 8.46 5.19 0.00 3.82 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 95 L 8.73 4.88 0.00 1.61 1.52 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.79 4.45 0.00 1.98 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 2.31 2.30 0.00 97 E 8.65 4.79 0.00 1.97 1.74 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 2.28 2.28 0.00 98 H 8.98 4.88 0.00 3.20 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.99 4.67 0.00 3.81 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 0.00 100 Q 7.79 4.66 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 101 C 8.76 5.60 0.00 2.86 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 0.00 102 E 8.78 4.79 0.00 1.88 1.76 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 2.22 2.28 0.00 103 C 8.83 5.06 0.00 2.85 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 0.00 104 R 8.32 4.76 0.00 1.76 1.82 0.00 3.13 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 105 P 0.00 4.83 0.00 1.93 1.99 0.00 3.68 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 2.02 2.09 0.00 106 K 8.86 4.06 0.00 1.85 1.85 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.38 7.81 107 K 8.74 3.96 0.00 1.80 1.77 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *108 K 7.91 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.