NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3627 8.3049 120.3416 54.8805 32.1931 173.8626 2 K 3.6636 8.2783 124.5305 55.9087 33.1421 176.7389 3 T 4.2210 7.9060 122.9901 66.8174 69.8537 176.1852 4 Y 3.9973 5.3700 119.8550 61.1695 38.9822 177.9279 5 V 3.2600 7.5270 118.0567 58.8765 32.2410 174.0279 6 P 4.7169 0.0000 0.0000 61.5781 33.1015 174.5240 7 K 4.5707 7.8838 116.8271 54.1963 34.7618 175.8949 8 Q 3.7696 8.3510 119.7840 56.2776 27.9708 178.1443 9 V 4.1367 8.0976 117.2814 60.0174 33.6324 174.6385 10 E 4.6652 8.3944 120.9143 53.9648 30.9337 172.9079 11 P 4.5532 0.0000 0.0000 62.5969 30.9449 176.2233 12 R 4.4218 8.2654 124.7085 56.0039 27.8305 175.5912 13 W 4.4414 7.8487 117.8587 55.5834 30.0133 175.9043 14 V 4.8252 9.3832 122.0877 61.0622 34.8510 173.7324 15 L 5.0510 8.5732 125.8534 53.3996 45.9451 174.9236 16 I 4.1426 7.7143 118.5749 60.0435 42.1490 173.6266 17 D 5.1215 8.4302 128.2437 53.4489 41.2346 177.8545 18 A 4.3653 7.7590 122.6210 52.6273 16.6225 176.9129 19 E 4.2317 8.4275 120.3186 58.5086 31.4341 178.6712 20 G 3.8982 8.1749 104.3310 46.7307 0.0000 174.2708 21 K 4.6752 7.4865 123.1804 56.0267 35.5477 175.1149 22 T 4.8057 8.2341 113.3055 61.7228 72.5737 173.3929 23 L 3.9638 8.3381 125.2986 56.9761 40.5315 175.3622 24 G 4.0831 8.2827 113.7902 45.5976 0.0000 175.3084 25 R 4.0866 7.7744 122.9431 57.4126 31.2768 177.7571 26 L 4.4502 7.8733 118.0087 56.8010 43.3239 177.8306 27 A 4.0209 8.1401 120.0311 55.6211 18.0240 178.7595 28 T 3.7432 8.3407 111.8610 65.7456 67.2054 176.0355 29 K 3.8917 7.9055 119.1161 59.7360 32.3428 179.0642 30 I 3.3458 7.8422 119.6246 64.5992 36.8343 178.3710 31 A 3.9165 8.1470 121.3679 55.6439 18.1770 179.8282 32 T 3.6902 8.0869 112.9132 66.4733 68.1978 176.1415 33 L 4.3400 8.5616 121.5158 56.7907 42.0478 178.9184 34 L 4.0690 7.7428 119.2375 59.4099 42.0073 177.8702 35 R 4.6086 8.0715 122.4514 56.2760 30.2062 177.8537 36 G 4.1553 8.1636 110.9982 46.7614 0.0000 175.3667 37 K 3.4177 6.3518 121.4681 58.4081 33.1346 175.8694 38 H 4.5832 7.6664 114.2554 56.9280 29.8040 175.5149 39 R 4.0144 7.4339 117.6429 54.5397 29.6947 175.5647 40 P 4.2314 0.0000 0.0000 64.4256 31.2383 176.5649 41 D 4.3378 8.8224 119.7383 56.3444 41.1818 177.5915 42 W 4.5849 7.4298 125.9151 56.7880 29.8551 174.7549 43 T 3.8614 6.8030 122.1736 61.7239 70.9996 172.4602 44 P 3.9319 0.0000 0.0000 63.2130 31.4212 176.2871 45 N 4.7958 7.2680 114.3111 52.7152 39.0266 175.8232 46 V 3.8076 7.6990 117.2998 62.1141 32.6408 176.3129 47 A 3.7580 7.9591 120.6065 52.8036 14.8118 177.0294 48 M 4.5057 7.8909 113.0251 56.3545 32.5449 178.2166 49 G 4.4400 7.7298 108.4945 45.7559 0.0000 172.8002 50 D 4.5896 7.5815 121.6082 52.4771 44.5868 175.8529 51 F 3.8008 8.8195 123.2042 57.9401 39.6785 174.7849 52 V 4.5787 8.0356 122.9857 61.4503 34.7443 174.8677 53 V 5.5028 8.0424 123.2378 60.5711 32.7766 172.2055 54 V 5.0194 8.4416 124.7128 61.5774 32.6236 175.0641 55 V 4.3944 8.4072 127.3631 60.2692 33.9859 174.5267 56 N 4.2931 8.6994 118.1108 54.1190 36.8944 175.5994 57 A 4.4802 8.6419 129.3762 50.5968 19.1674 177.9942 58 D 4.1276 9.5414 115.0356 53.4985 41.5725 177.0987 59 K 3.5416 9.0759 115.3441 58.7411 31.4092 173.5893 60 I 4.1425 9.7704 122.1329 59.8195 36.7376 175.5068 61 R 4.1846 8.1380 125.0018 56.6081 30.9708 176.2543 62 V 4.5223 8.2057 120.3833 60.2690 33.8658 175.3274 63 T 4.2228 8.5912 120.2725 63.6629 69.8636 176.5658 64 G 3.9958 8.3541 113.2239 45.3888 0.0000 173.1466 65 K 4.3724 8.1733 114.6430 55.9965 31.5693 178.5702 66 K 4.3308 7.6150 117.4609 58.5034 33.0398 178.3549 67 L 4.1804 7.6434 118.6195 55.8341 42.3374 175.3209 68 E 4.4685 9.2819 126.1786 56.8183 27.3534 175.8152 69 Q 4.5208 7.1880 114.3397 55.4009 29.0579 174.9927 70 K 4.7309 7.8527 120.1447 54.7011 35.0879 175.0074 71 I 5.2313 8.2199 126.1804 59.8966 41.1969 173.9586 72 Y 4.6428 9.4373 124.1718 56.3686 40.4552 174.9240 73 T 5.4059 8.3854 112.6702 59.6091 71.9444 173.6858 74 R 4.7023 8.3404 120.3570 55.3200 35.0053 173.4059 75 Y 5.8365 8.9222 124.6095 54.8263 39.9544 175.2182 76 S 4.2049 8.9148 122.4294 58.5663 61.4902 175.8537 77 G 3.5721 6.5468 114.1896 47.7991 0.0000 172.2321 78 Y 4.4443 9.8180 118.2395 55.6096 40.6376 172.8782 79 P 4.6375 0.0000 0.0000 63.2897 32.4809 177.2906 80 G 4.0254 9.0963 109.4296 46.0449 0.0000 174.4794 81 G 3.9252 7.6527 108.1839 46.0909 0.0000 174.2815 82 L 5.3855 7.4902 118.9608 53.4847 45.1998 176.5378 83 K 4.2496 9.1173 127.0845 56.2413 33.4053 176.8423 84 K 4.6149 8.4538 122.4509 54.4306 32.4252 173.5284 85 I 4.3942 8.3721 122.8450 58.4224 38.7766 173.7648 86 P 5.4133 0.0000 0.0000 62.3626 31.9738 176.7523 87 L 4.0074 8.5712 118.1745 58.2986 40.8170 178.0308 88 E 3.9482 8.3041 117.9344 59.5195 29.0646 179.3085 89 K 4.0401 7.5207 115.9623 60.3461 31.8806 178.4037 90 M 4.0245 8.3884 118.9990 57.9917 31.5759 178.6957 91 L 3.8045 7.4735 118.2896 57.9512 42.2059 178.8985 92 A 4.0623 7.5474 119.7471 53.8606 18.6063 177.2944 93 T 3.8772 10.3409 106.2607 63.3084 70.0326 172.4747 94 H 4.8265 8.8194 127.7297 56.6435 24.5854 175.4367 95 P 4.2623 0.0000 0.0000 65.9596 31.6717 177.9045 96 E 4.1260 8.5010 117.2925 59.8416 28.9627 178.7281 97 R 3.8444 8.0686 118.3512 59.5148 30.3128 178.8876 98 V 3.4939 7.3804 117.6754 66.3016 31.8377 178.1293 99 L 4.1443 7.9736 119.5610 57.8454 41.9268 178.7520 100 E 4.1223 8.0111 118.2341 59.5178 28.8929 178.1325 101 H 4.4865 9.4230 118.2178 57.8908 29.6161 176.7314 102 A 4.2034 7.3811 120.7583 55.2678 19.4763 179.1927 103 V 3.7654 7.6960 116.2471 65.6954 31.5341 177.5975 104 K 4.0760 8.8240 119.9455 59.9231 31.7058 178.6590 105 G 4.0078 7.3179 101.2409 45.8294 0.0000 173.1787 106 M 4.9458 8.3876 120.2573 54.5604 33.2017 174.6839 107 L 4.9243 7.6114 116.4630 51.7916 46.1328 175.3276 108 P 4.3530 0.0000 0.0000 62.9507 31.7785 178.1383 109 K 4.0162 8.7490 122.1376 59.3056 32.8023 179.4493 110 G 3.9736 7.7613 109.2387 44.6524 0.0000 172.0717 111 P 4.0592 0.0000 0.0000 65.7493 31.4427 178.0511 112 L 4.0608 8.0264 118.6984 58.3995 41.8488 178.4939 113 G 4.4451 8.1270 106.1798 47.7108 0.0000 175.3169 114 R 3.9449 7.5339 121.0338 58.4825 30.4502 179.0331 115 R 4.0572 8.0428 118.3452 59.6608 30.2077 178.7013 116 L 3.9131 8.8336 119.5303 57.5157 41.3228 178.9836 117 F 4.0945 8.3202 120.5000 61.4203 39.4189 177.2642 118 K 4.0073 8.0289 117.7613 59.4599 31.5357 179.2828 119 R 3.8386 7.4564 116.0215 56.6610 30.0248 175.6695 120 L 4.3161 7.5846 122.4678 53.5351 42.5179 175.9366 121 K 4.2419 8.4662 126.9841 55.0380 32.3336 176.2699 122 V 4.6313 7.7265 124.4773 62.1319 33.7234 174.7403 123 Y 4.6479 8.2849 121.3744 56.8873 42.6073 174.6431 124 A 4.7829 9.0137 127.3116 50.8666 17.3322 177.2202 125 G 4.3076 8.5399 112.3250 44.7212 0.0000 174.3279 126 P 4.6013 0.0000 0.0000 62.8337 30.2367 174.1662 127 D 4.2958 8.9242 124.6004 54.2808 37.2806 172.8493 128 H 3.8624 7.2996 120.6734 52.5057 27.7299 173.6898 129 P 3.9330 0.0000 0.0000 63.8493 31.2212 175.8904 130 H 4.5187 10.4014 112.5696 55.0513 31.8315 173.7753 131 Q 4.4577 8.4525 125.6284 55.2017 29.2563 175.1847 132 A 4.4231 7.3924 117.9522 51.4605 19.6749 177.3443 133 Q 4.1330 8.2502 118.2833 56.6267 29.7030 172.0214 134 R 5.0907 8.1473 115.9425 56.6564 30.7802 172.1564 135 P 4.2793 0.0000 0.0000 61.9741 33.5241 175.7869 136 E 5.0473 8.6514 122.5680 54.7596 31.9441 175.0449 137 K 4.7165 8.2133 122.8134 55.1376 36.8941 175.5859 138 L 4.3345 8.4962 125.1662 53.8736 42.7854 177.3888 *139 E 4.1515 8.7024 118.9441 56.1193 30.3597 171.9592 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 M 8.30 4.36 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 K 8.28 3.66 0.00 1.73 0.88 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 1.46 7.81 3 T 7.91 4.22 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 1.16 0.00 0.00 4 Y 5.37 4.00 0.00 3.02 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 5 V 7.53 3.26 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 0.70 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.72 0.00 2.22 2.14 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 7 K 7.88 4.57 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.42 7.81 8 Q 8.35 3.77 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 9 V 8.10 4.14 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 0.77 0.00 0.00 0.97 0.00 0.00 10 E 8.39 4.67 0.00 1.93 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 2.24 2.44 0.00 11 P 0.00 4.55 0.00 2.31 2.65 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 12 R 8.27 4.42 0.00 1.86 1.97 0.00 3.34 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 13 W 7.85 4.44 0.00 3.45 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 14 V 9.38 4.83 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 0.97 0.00 0.00 1.08 0.00 0.00 15 L 8.57 5.05 0.00 1.91 1.62 0.96 0.93 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 16 I 7.71 4.14 1.88 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 1.12 0.95 0.93 0.00 0.00 17 D 8.43 5.12 0.00 2.63 2.54 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 18 A 7.76 4.37 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 19 E 8.43 4.23 0.00 2.07 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 20 G 8.17 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 0.00 0.00 0.00 21 K 7.49 4.68 0.00 1.86 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 22 T 8.23 4.81 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 1.30 0.00 0.00 23 L 8.34 3.96 0.00 1.78 1.72 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.28 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 25 R 7.77 4.09 0.00 1.94 2.02 0.00 3.33 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 26 L 7.87 4.45 0.00 1.80 1.68 0.92 0.95 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 27 A 8.14 4.02 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 28 T 8.34 3.74 4.27 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 1.26 0.00 0.00 29 K 7.91 3.89 0.00 1.94 1.81 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.52 7.81 30 I 7.84 3.35 1.86 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 1.45 0.96 0.89 0.00 0.00 31 A 8.15 3.92 1.44 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 32 T 8.09 3.69 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 1.10 0.00 0.00 33 L 8.56 4.34 0.00 1.86 1.70 0.89 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.74 4.07 0.00 1.89 1.67 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.07 4.61 0.00 1.55 1.77 0.00 3.04 0.00 0.00 2.94 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 36 G 8.16 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 37 K 6.35 3.42 0.00 1.29 1.65 0.00 0.61 0.00 0.00 1.26 0.00 0.00 2.68 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.12 1.12 7.81 38 H 7.67 4.58 0.00 3.23 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.43 4.01 0.00 2.05 2.16 0.00 3.02 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 40 P 0.00 4.23 0.00 2.24 2.26 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 2.04 2.05 0.00 41 D 8.82 4.34 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 7.43 4.58 0.00 3.27 3.21 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 43 T 6.80 3.86 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 1.12 0.00 0.00 44 P 0.00 3.93 0.00 2.01 1.88 0.00 3.25 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 45 N 7.27 4.80 0.00 2.76 2.82 0.00 0.00 6.84 7.55 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 46 V 7.70 3.81 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 0.67 0.00 0.00 0.90 0.00 0.00 47 A 7.96 3.76 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 48 M 7.89 4.51 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 49 G 7.73 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 0.00 0.00 0.00 0.00 50 D 7.58 4.59 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 3.80 0.00 1.82 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 0.00 0.00 0.00 52 V 8.04 4.58 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 0.92 0.00 0.00 0.91 0.00 0.00 53 V 8.04 5.50 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 0.91 0.00 0.00 1.24 0.00 0.00 54 V 8.44 5.02 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 0.99 0.00 0.00 0.98 0.00 0.00 55 V 8.41 4.39 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 0.78 0.00 0.00 0.96 0.00 0.00 56 N 8.70 4.29 0.00 2.93 3.28 0.00 0.00 6.94 7.96 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 57 A 8.64 4.48 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 58 D 9.54 4.13 0.00 2.92 2.84 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 59 K 9.08 3.54 0.00 1.98 2.05 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.57 7.81 60 I 9.77 4.14 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 1.26 1.63 0.96 0.00 0.00 61 R 8.14 4.18 0.00 1.72 1.91 0.00 3.27 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 62 V 8.21 4.52 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 0.76 0.00 0.00 0.96 0.00 0.00 63 T 8.59 4.22 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 1.21 0.00 0.00 64 G 8.35 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 65 K 8.17 4.37 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.46 7.81 66 K 7.61 4.33 0.00 1.91 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 67 L 7.64 4.18 0.00 1.63 1.88 0.93 0.97 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 68 E 9.28 4.47 0.00 2.12 2.28 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 2.52 2.25 0.00 69 Q 7.19 4.52 0.00 2.54 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 70 K 7.85 4.73 0.00 1.90 1.74 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.49 1.58 7.81 71 I 8.22 5.23 1.86 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 1.39 0.80 0.95 0.00 0.00 72 Y 9.44 4.64 0.00 3.01 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 73 T 8.39 5.41 4.28 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 1.28 0.00 0.00 74 R 8.34 4.70 0.00 1.81 1.87 0.00 3.10 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 75 Y 8.92 5.84 0.00 2.85 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 76 S 8.91 4.20 0.00 4.01 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 77 G 6.55 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.82 4.44 0.00 2.91 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 79 P 0.00 4.64 0.00 2.23 2.01 0.00 3.89 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 80 G 9.10 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 81 G 7.65 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 82 L 7.49 5.39 0.00 1.86 1.67 1.10 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.12 4.25 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.59 7.81 84 K 8.45 4.61 0.00 1.61 1.73 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.59 7.81 85 I 8.37 4.39 1.92 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 1.30 1.43 0.97 0.00 0.00 86 P 0.00 5.41 0.00 2.29 2.25 0.00 3.94 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 87 L 8.57 4.01 0.00 1.91 1.76 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.30 3.95 0.00 2.05 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 0.00 2.45 2.44 0.00 89 K 7.52 4.04 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 90 M 8.39 4.02 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.43 0.00 91 L 7.47 3.80 0.00 1.73 1.75 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.55 4.06 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 93 T 10.34 3.88 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 1.25 0.00 0.00 94 H 8.82 4.83 0.00 3.38 3.47 0.00 5.98 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.26 0.00 2.21 2.33 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 96 E 8.50 4.13 0.00 2.15 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 0.00 2.38 2.35 0.00 97 R 8.07 3.84 0.00 1.93 2.03 0.00 3.15 0.00 0.00 3.06 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 98 V 7.38 3.49 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 1.02 0.00 0.00 0.97 0.00 0.00 99 L 7.97 4.14 0.00 1.84 1.72 0.94 0.81 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 0.00 100 E 8.01 4.12 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 101 H 9.42 4.49 0.00 3.35 3.48 0.00 5.57 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 0.00 102 A 7.38 4.20 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.77 2.17 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 1.09 0.00 0.00 1.06 0.00 0.00 104 K 8.82 4.08 0.00 2.16 1.87 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.19 0.67 7.81 105 G 7.32 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 0.00 106 M 8.39 4.95 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 107 L 7.61 4.92 0.00 1.55 1.55 1.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.35 0.00 2.21 2.02 0.00 3.64 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 2.21 2.19 0.00 109 K 8.75 4.02 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 110 G 7.76 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 0.00 0.00 0.00 111 P 0.00 4.06 0.00 2.16 2.10 0.00 3.61 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 2.10 2.13 0.00 112 L 8.03 4.06 0.00 1.74 1.67 0.91 1.10 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 0.00 113 G 8.13 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 0.00 114 R 7.53 3.94 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 115 R 8.04 4.06 0.00 2.02 2.08 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 116 L 8.83 3.91 0.00 1.83 1.66 0.98 0.22 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 0.00 117 F 8.32 4.09 0.00 3.03 3.38 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 0.00 118 K 8.03 4.01 0.00 2.00 1.86 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.94 7.81 119 R 7.46 3.84 0.00 1.48 0.84 0.00 2.21 0.00 0.00 2.71 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.38 0.00 120 L 7.58 4.32 0.00 1.34 1.33 0.75 0.53 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 0.00 121 K 8.47 4.24 0.00 2.05 2.09 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.59 7.81 122 V 7.73 4.63 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 0.76 0.00 0.00 0.88 0.00 0.00 123 Y 8.28 4.65 0.00 2.99 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 0.00 124 A 9.01 4.78 1.35 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 0.00 125 G 8.54 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 0.00 0.00 0.00 0.00 126 P 0.00 4.60 0.00 2.22 1.96 0.00 3.87 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 2.00 2.01 0.00 127 D 8.92 4.30 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.30 3.86 0.00 3.10 3.11 0.00 5.49 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.93 0.00 1.99 1.98 0.00 3.54 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 130 H 10.40 4.52 0.00 2.99 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.45 4.46 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.54 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 132 A 7.39 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.25 4.13 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.66 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 134 R 8.15 5.09 0.00 1.98 2.03 0.00 3.20 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 135 P 0.00 4.28 0.00 2.27 2.07 0.00 3.94 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 2.20 2.19 0.00 136 E 8.65 5.05 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 137 K 8.21 4.72 0.00 1.73 1.62 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.42 7.81 138 L 8.50 4.33 0.00 1.62 1.60 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.70 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.