NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2775 8.3144 124.0479 55.1306 35.6257 178.0605 8 Q 4.0410 8.6693 124.3961 54.0690 29.9722 171.1726 9 Q 4.8987 7.8021 123.0697 55.0652 32.1018 173.0716 10 G 4.6647 8.1909 108.3945 43.6272 0.0000 171.6732 11 E 4.8343 8.3016 121.6093 55.9987 30.4523 175.7066 12 L 4.7998 8.7063 124.7278 53.0319 46.5691 175.4488 13 Y 4.9474 8.7126 119.8280 58.3410 39.4163 174.6100 14 M 5.2487 9.8779 122.1261 53.2973 36.1243 174.1850 15 W 4.3642 7.9882 131.3179 55.3879 32.6655 174.5273 16 D 4.1678 7.5217 127.7310 52.5769 41.1309 177.1513 17 S 3.9243 8.3473 123.2395 61.6389 63.3113 176.2872 18 I 3.8023 8.2894 120.5499 64.3304 36.9390 177.1294 19 D 4.2959 7.9611 117.1631 54.4975 41.1109 176.2859 20 Q 2.5504 7.5006 119.6265 56.9860 26.5699 173.6440 21 K 4.6886 6.2454 118.0916 53.4469 36.8854 177.5957 22 W 5.4222 8.8023 119.0443 56.3985 31.7034 175.6770 23 T 4.9311 9.1316 111.3342 60.6683 72.3297 172.6735 24 R 4.9626 8.5817 121.7522 55.6856 32.4239 175.1706 25 H 5.1866 9.0724 119.4222 53.9966 33.8705 172.5172 26 F 4.7332 9.2366 126.1369 58.6026 40.3419 173.8643 27 C 5.4230 8.7250 123.2124 58.2695 32.2478 172.6710 28 A 5.0777 8.7077 120.8605 51.2568 22.8561 175.2791 29 I 5.1900 8.3430 119.2914 59.6295 40.7157 175.5009 30 A 4.5488 9.0018 130.3784 52.3412 23.4548 176.8289 31 D 4.4761 9.4177 120.3046 53.9254 38.8841 173.0385 32 A 4.8926 8.7087 120.5347 52.4677 20.8686 178.3161 33 K 5.0535 8.6627 123.6673 54.7265 35.3720 177.4302 34 L 5.1164 8.7605 128.3860 53.1823 43.6044 175.2418 35 S 5.3027 9.2633 122.1462 56.5760 65.6712 172.9427 36 F 5.5282 8.0853 118.2569 54.9819 40.6045 175.6299 37 S 5.2988 9.1912 117.2475 57.4082 64.5567 172.8599 38 D 4.8357 9.2745 121.2215 53.8247 41.8277 176.3597 39 D 4.4393 8.6881 119.1337 54.8998 41.6437 177.0871 40 I 3.9306 8.3854 127.3997 64.2172 36.9677 178.4615 41 E 4.0328 8.2448 119.0833 59.0282 29.5573 178.6587 42 Q 4.0693 9.5931 121.0363 58.8610 29.0673 177.8897 43 T 4.0174 7.8811 109.7834 64.3456 68.9127 175.7192 44 M 4.3397 7.6554 122.3707 57.1894 32.3721 178.0499 45 E 4.4451 8.2195 117.7480 59.4740 30.3977 181.7421 46 E 3.8544 7.7870 119.7463 54.6437 28.5079 177.2244 47 D 4.3107 8.7266 126.6941 55.2480 39.8356 175.9296 48 N 4.9445 7.2677 117.7573 51.5361 40.8144 171.8522 49 P 4.7672 0.0000 0.0000 64.7373 34.3479 176.9801 50 L 3.8223 7.0251 111.6354 53.4941 44.1755 179.5505 51 G 3.8777 8.9767 115.4777 47.1081 0.0000 171.9549 52 S 4.7727 9.6911 121.3667 55.9668 64.2308 175.2509 53 L 3.8144 8.5187 126.4475 57.4428 41.6296 175.8426 54 C 4.8459 7.6582 117.1418 57.1552 31.5128 173.3334 55 R 3.9397 8.4652 125.0477 57.9487 29.6033 176.7293 56 G 3.6309 5.3800 108.6691 45.4078 0.0000 170.4459 57 I 5.1155 8.2576 123.5834 59.5541 40.2657 175.2741 58 L 4.7667 9.5236 127.3711 53.5844 44.3996 175.5940 59 D 4.9333 8.8451 122.3801 52.5978 41.1190 176.4680 60 L 4.4302 9.0219 127.4097 57.7200 42.0357 179.8298 61 N 4.3005 8.5691 115.1153 56.1335 38.6689 175.3932 62 T 4.5314 8.4848 107.5372 61.4476 69.9485 173.8094 63 Y 5.3643 8.2704 118.4904 56.7764 42.2192 174.4098 64 N 5.1422 9.0938 117.8146 51.4252 42.0967 174.3280 65 V 4.4470 8.5003 123.3312 62.9006 32.8197 175.3041 66 V 4.7734 9.2702 126.8545 61.1964 34.9548 173.6805 67 K 4.9217 8.9736 128.7586 54.8032 33.4529 175.6186 68 A 4.1243 8.7128 130.1744 51.4890 18.1989 175.4578 69 P 4.4079 0.0000 0.0000 65.4836 31.5601 177.6349 70 Q 4.4650 7.5040 115.1249 55.5044 30.1608 176.3673 71 G 3.7125 9.2414 108.0570 46.2840 0.0000 173.0116 72 K 4.0089 8.3380 114.5540 57.0740 35.8800 175.5679 73 N 3.9995 9.5399 122.3489 54.7233 35.7513 174.8779 74 Q 3.6448 8.1480 111.9343 56.3183 27.0453 173.9909 75 K 4.2723 7.8249 118.0492 54.8798 33.9086 177.6858 76 S 3.8540 8.0493 117.3104 60.1043 63.3671 174.2258 77 F 5.0938 7.3957 120.0177 55.5155 40.0549 174.6003 78 V 5.2918 8.4800 122.5382 58.4155 34.7301 174.6194 79 F 5.7370 8.8035 117.4886 55.2414 41.8287 173.6410 80 I 5.0291 9.4621 119.9754 59.7296 41.3769 174.8842 81 L 4.9447 9.1220 127.3751 53.7424 42.4975 175.2883 82 E 4.8823 9.2516 125.6648 54.2396 30.7077 174.6589 83 P 4.3685 0.0000 0.0000 63.0566 31.5142 176.6736 84 K 3.7520 8.8729 124.2113 59.7110 32.4782 177.9650 85 Q 3.8323 8.2994 120.2132 56.7774 28.3367 180.4431 *88 D 4.5512 7.9262 115.8999 52.6026 42.0159 174.7709 89 P 5.1956 0.0000 0.0000 60.8145 34.4061 172.7239 90 P 5.2367 0.0000 0.0000 62.2593 32.2584 176.1157 91 V 4.1504 8.3854 122.4098 61.1155 34.3792 173.8011 92 E 4.8363 8.3375 127.1927 54.9030 31.3901 175.2918 93 F 5.4474 8.6196 123.1661 56.0613 42.5375 174.3904 94 A 5.0270 8.7773 120.1099 51.2655 22.5719 175.5925 95 T 4.9799 8.6663 110.4619 60.1001 71.4764 174.4780 96 D 4.6894 8.9738 121.7709 56.7060 41.4410 177.3929 97 K 4.3581 8.5230 120.1886 53.4872 35.2282 177.0181 98 V 2.4420 7.4231 126.7583 64.7193 30.6666 178.0589 99 E 3.9741 7.9327 117.0610 58.5671 29.4487 178.9016 100 E 4.1266 8.1664 120.3824 59.3212 29.7134 178.2908 101 L 4.0900 8.0268 120.0082 58.4492 42.0370 178.6850 102 F 4.0072 8.4212 120.1558 61.3120 39.5277 176.5834 103 E 3.9876 8.1748 118.8131 59.1460 29.3633 178.6905 104 W 3.7615 8.6938 119.1862 59.6251 29.1668 177.8820 105 F 3.6192 8.2383 120.5983 61.6927 38.7255 177.4723 106 Q 3.7169 8.0543 119.6291 59.3319 28.2072 179.1246 107 S 3.9713 7.3450 118.4984 63.8025 62.4299 178.4992 108 I 4.0786 7.6848 123.5979 63.6901 36.9943 178.3834 109 R 3.8978 8.2402 122.5080 60.0491 29.5258 179.0530 110 E 3.9553 8.3470 117.5527 61.0954 29.7398 181.1184 111 I 4.0980 7.5121 119.6074 64.3688 37.4030 178.0101 112 T 4.1878 8.2340 108.7858 63.0721 69.0200 175.2498 113 W 4.4073 8.0685 126.2542 56.9218 29.4193 175.7078 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 7 K 8.31 4.28 0.00 1.56 0.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 8.67 4.04 0.00 1.87 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 9 Q 7.80 4.90 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 10 G 8.19 4.66 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 0.00 0.00 0.00 11 E 8.30 4.83 0.00 2.11 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 0.00 2.10 2.25 0.00 12 L 8.71 4.80 0.00 1.54 1.50 -0.34 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.71 4.95 0.00 2.81 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 14 M 9.88 5.25 0.00 1.45 1.73 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 1.93 0.00 15 W 7.99 4.36 0.00 1.78 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 0.00 0.00 0.00 0.00 16 D 7.52 4.17 0.00 2.45 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 0.00 0.00 0.00 17 S 8.35 3.92 0.00 3.78 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 18 I 8.29 3.80 1.86 0.00 0.00 0.77 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 0.26 0.81 0.00 0.00 19 D 7.96 4.30 0.00 2.62 2.53 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 20 Q 7.50 2.55 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.40 0.00 21 K 6.25 4.69 0.00 1.37 1.59 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.02 7.81 22 W 8.80 5.42 0.00 3.15 3.17 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 23 T 9.13 4.93 4.40 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 1.28 0.00 0.00 24 R 8.58 4.96 0.00 1.78 1.80 0.00 3.14 0.00 0.00 3.62 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.79 0.00 25 H 9.07 5.19 0.00 3.14 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.24 4.73 0.00 3.21 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 27 C 8.72 5.42 0.00 2.59 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 28 A 8.71 5.08 1.15 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 0.00 0.00 0.00 0.00 0.00 29 I 8.34 5.19 1.77 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 1.27 0.88 0.89 0.00 0.00 30 A 9.00 4.55 1.22 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 0.00 0.00 31 D 9.42 4.48 0.00 2.84 2.36 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 32 A 8.71 4.89 1.26 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 0.00 0.00 0.00 33 K 8.66 5.05 0.00 1.41 1.65 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 8.76 5.12 0.00 1.82 1.65 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.26 5.30 0.00 3.83 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 36 F 8.09 5.53 0.00 3.22 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 37 S 9.19 5.30 0.00 4.19 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 0.00 38 D 9.27 4.84 0.00 2.62 2.74 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 39 D 8.69 4.44 0.00 2.69 2.57 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 40 I 8.39 3.93 1.88 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 1.57 0.60 0.93 0.00 0.00 41 E 8.24 4.03 0.00 2.13 2.02 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 2.43 2.40 0.00 42 Q 9.59 4.07 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 43 T 7.88 4.02 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 1.29 0.00 0.00 44 M 7.66 4.34 0.00 2.00 2.28 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 2.73 2.55 0.00 45 E 8.22 4.45 0.00 2.06 1.85 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 2.22 2.17 0.00 46 E 7.79 3.85 0.00 2.28 2.02 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 2.31 2.62 0.00 47 D 8.73 4.31 0.00 2.81 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 48 N 7.27 4.94 0.00 2.81 2.83 0.00 0.00 6.75 7.90 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 49 P 0.00 4.77 0.00 2.11 2.12 0.00 3.52 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 1.87 2.03 0.00 50 L 7.03 3.82 0.00 1.73 1.23 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.98 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 52 S 9.69 4.77 0.00 3.80 3.81 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 53 L 8.52 3.81 0.00 1.81 1.83 0.94 0.76 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 54 C 7.66 4.85 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 3.94 0.00 1.92 1.98 0.00 3.42 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 56 G 5.38 3.63 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 0.00 0.00 0.00 57 I 8.26 5.12 1.86 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 1.26 0.63 0.99 0.00 0.00 58 L 9.52 4.77 0.00 1.64 1.68 0.98 1.19 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 59 D 8.85 4.93 0.00 2.88 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 60 L 9.02 4.43 0.00 1.96 1.80 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.57 4.30 0.00 2.91 2.92 0.00 0.00 6.81 7.54 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 62 T 8.48 4.53 4.07 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 1.21 0.00 0.00 63 Y 8.27 5.36 0.00 2.99 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 64 N 9.09 5.14 0.00 2.75 2.71 0.00 0.00 7.02 7.20 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 65 V 8.50 4.45 1.83 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 0.77 0.00 0.00 0.81 0.00 0.00 66 V 9.27 4.77 2.32 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 1.02 0.00 0.00 1.07 0.00 0.00 67 K 8.97 4.92 0.00 1.22 1.41 0.00 1.74 0.00 0.00 1.26 0.00 0.00 2.54 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.28 1.42 7.81 68 A 8.71 4.12 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 69 P 0.00 4.41 0.00 2.05 2.15 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 70 Q 7.50 4.46 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 71 G 9.24 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 72 K 8.34 4.01 0.00 1.74 1.51 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.01 1.19 7.81 73 N 9.54 4.00 0.00 2.55 2.30 0.00 0.00 7.10 7.69 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 74 Q 8.15 3.64 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 75 K 7.82 4.27 0.00 1.30 1.23 0.00 0.97 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.35 0.21 7.81 76 S 8.05 3.85 0.00 2.88 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 77 F 7.40 5.09 0.00 3.18 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 78 V 8.48 5.29 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 1.05 0.00 0.00 1.07 0.00 0.00 79 F 8.80 5.74 0.00 3.46 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 80 I 9.46 5.03 2.01 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 1.25 0.90 0.99 0.00 0.00 81 L 9.12 4.94 0.00 1.58 1.21 1.22 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.25 4.88 0.00 2.04 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 2.37 2.37 0.00 83 P 0.00 4.37 0.00 1.96 1.84 0.00 3.56 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 2.15 2.32 0.00 84 K 8.87 3.75 0.00 1.56 1.85 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.41 7.81 85 Q 8.30 3.83 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.62 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 *88 D 7.93 4.55 0.00 2.72 2.53 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 89 P 0.00 5.20 0.00 2.03 2.06 0.00 3.61 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 1.90 2.09 0.00 90 P 0.00 5.24 0.00 1.98 2.08 0.00 3.71 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 91 V 8.39 4.15 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 0.38 0.00 0.00 0.87 0.00 0.00 92 E 8.34 4.84 0.00 1.80 1.79 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 2.26 2.25 0.00 93 F 8.62 5.45 0.00 1.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 5.03 0.52 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 0.00 0.00 95 T 8.67 4.98 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 1.37 0.00 0.00 96 D 8.97 4.69 0.00 2.80 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 97 K 8.52 4.36 0.00 1.78 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.39 7.81 98 V 7.42 2.44 1.13 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 0.61 0.00 0.00 0.81 0.00 0.00 99 E 7.93 3.97 0.00 2.14 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 0.00 2.30 2.30 0.00 100 E 8.17 4.13 0.00 2.29 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 2.49 2.46 0.00 101 L 8.03 4.09 0.00 1.85 1.92 1.20 1.06 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 0.00 102 F 8.42 4.01 0.00 3.19 3.15 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 0.00 0.00 0.00 103 E 8.17 3.99 0.00 2.34 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 2.18 2.39 0.00 104 W 8.69 3.76 0.00 3.45 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 0.00 105 F 8.24 3.62 0.00 2.98 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 0.00 106 Q 8.05 3.72 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.44 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 107 S 7.34 3.97 0.00 3.74 3.82 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 0.00 108 I 7.68 4.08 1.67 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 1.45 0.58 0.91 0.00 0.00 109 R 8.24 3.90 0.00 1.06 1.51 0.00 3.00 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.68 0.00 110 E 8.35 3.96 0.00 2.05 1.85 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 2.26 2.22 0.00 111 I 7.51 4.10 2.01 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 1.69 1.07 0.94 0.00 0.00 112 T 8.23 4.19 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 1.38 0.00 0.00 113 W 8.07 4.41 0.00 3.20 3.19 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 0.00 * Residues marked with a * may have inaccurate shift predictions.