NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 3.9100 8.4444 118.7664 55.4562 31.6503 174.6714 5 N 4.7817 7.4582 118.9677 52.2729 41.0418 171.8250 6 Y 5.7340 8.6965 121.0810 56.7442 42.9909 174.0481 7 L 4.5293 9.0447 121.2046 54.2585 46.3086 173.3949 8 N 5.0536 8.8426 125.3918 52.4572 39.8475 173.7963 9 H 3.7796 8.7960 127.5511 54.7125 30.5923 174.2984 10 P 4.2118 0.0000 0.0000 65.6090 31.5474 177.4832 11 T 4.0209 7.9256 112.9638 65.2584 69.0487 175.6842 12 F 4.4000 7.7259 116.2737 56.9220 40.2892 177.5878 13 G 3.8100 8.0198 109.4630 44.4953 0.0000 171.9251 14 L 4.6660 8.4666 121.9127 55.3745 43.3318 177.4485 15 L 5.5913 9.6201 126.0429 53.1668 45.6249 174.8671 16 Y 5.3867 8.9175 118.6077 55.1048 41.4283 174.4479 17 Q 2.9548 8.3536 123.6295 55.9899 29.0805 175.7065 18 I 4.0711 8.1951 127.8325 63.2732 38.2945 175.5853 19 C 4.5858 7.0508 113.8092 57.8078 31.9417 173.5374 20 S 4.4851 8.4179 115.9838 58.1239 63.6660 172.9857 21 F 4.7672 9.0552 116.8682 58.9588 41.0782 174.7503 22 G 3.7348 9.4745 112.1168 46.5704 0.0000 175.0056 23 D 3.7277 7.3140 122.1362 52.4000 42.0863 172.7411 *25 K 4.4626 7.6354 116.4276 56.4510 34.4978 174.4794 26 E 5.0328 9.3653 121.5181 54.6437 34.5685 174.0850 27 L 5.2516 8.5745 124.6440 53.8358 43.9956 175.4253 28 F 5.2022 9.5947 124.0578 55.8294 43.3377 173.6982 29 A 5.0091 8.5156 120.6912 50.3889 22.5386 175.8215 30 T 4.3135 8.4711 110.0808 61.5032 69.6383 175.7678 31 L 4.0941 8.3806 125.4744 58.3401 42.3118 177.0294 32 Y 4.0780 7.8797 120.1730 56.7527 37.0393 174.0092 33 A 3.6344 8.3394 124.1981 51.3273 16.4570 178.0690 34 Q 3.5740 7.6907 113.3731 57.6188 26.8372 175.7674 35 R 4.0991 7.4140 117.5814 58.5519 30.6523 177.4243 36 L 4.6575 7.6894 116.9001 52.7650 46.2551 175.6214 37 F 5.0927 8.3733 120.2582 55.7363 42.7746 174.3729 38 F 5.3955 9.3560 119.8940 55.7879 43.1811 174.0767 39 L 4.7599 9.1992 124.7276 54.7200 42.8711 176.1580 40 V 4.6039 9.4310 123.6735 60.8175 34.6505 173.9720 41 A 4.7394 8.2306 128.4311 50.0154 21.9542 174.8760 42 F 5.3267 8.1507 119.6899 56.1862 42.5493 173.9897 43 D 4.3677 7.9588 115.9018 53.8980 44.4319 176.1206 44 A 4.2906 8.6680 121.5041 53.1614 18.2930 178.3767 45 R 4.3686 7.7633 115.1864 57.8045 30.9270 177.4422 46 G 4.5996 7.4646 102.4764 47.1002 0.0000 172.6091 47 T 4.7056 7.9649 117.6354 62.8639 69.3975 174.5526 48 R 4.6552 8.4509 122.4538 54.2395 33.1566 174.1351 49 F 5.3423 8.9111 119.1743 55.6863 42.2503 173.9498 50 E 4.9387 9.3870 124.4996 53.5484 32.0997 173.4714 51 P 4.7794 0.0000 0.0000 63.0175 32.3349 175.5692 52 I 4.6487 7.9427 113.6754 59.2595 40.8835 175.1561 53 G 3.8157 8.5997 112.5561 45.0960 0.0000 174.6391 54 R 3.7199 8.6078 119.6983 59.4175 30.0677 178.6393 55 N 4.2197 8.0154 115.8501 56.1379 38.6132 176.8644 56 E 3.8821 8.0191 120.1249 58.8058 29.8267 178.4656 57 A 3.8699 8.1791 121.4678 54.8670 18.2835 179.2638 58 R 2.5100 7.4257 117.2351 59.6575 29.9068 178.6984 59 M 3.9683 7.7164 117.9918 57.9497 31.8005 178.6181 60 L 3.8177 7.7374 120.7192 58.2423 42.2448 179.3077 61 V 3.8318 8.0210 118.2420 65.7649 31.4804 177.1978 62 D 4.1251 8.4165 118.2111 57.5331 41.0529 177.9278 63 N 4.2662 8.3876 117.0185 56.6003 38.5359 177.2087 64 R 4.1950 8.2636 119.7692 59.5761 30.0364 178.5293 65 L 4.0169 8.2848 118.9381 57.8914 41.7309 179.4697 66 R 3.9634 8.1099 117.9839 59.6268 29.9178 179.1874 67 Q 4.0535 8.2207 117.6036 58.8278 28.7167 178.5989 68 L 4.0309 8.3351 120.3825 57.7368 41.4612 179.4097 69 R 3.5475 8.1782 117.8064 59.5321 30.0433 178.5367 70 R 4.0862 7.6783 115.8501 58.5390 30.3212 177.7447 71 D 4.9259 8.3308 114.3649 55.0349 42.8082 175.2189 72 A 4.8984 8.2036 122.4133 50.0548 22.1390 176.1870 73 S 4.5272 8.0356 109.0357 57.8927 65.4327 175.0453 74 L 4.0185 8.4276 123.4248 58.1734 41.3559 179.4899 75 Q 4.0013 8.1484 118.8042 59.4054 28.9358 178.3082 76 E 3.9595 8.2396 119.4226 59.4709 29.5398 178.5157 77 Y 4.0353 7.9277 119.1174 61.0080 38.9644 178.1771 78 N 4.3406 8.6994 117.5948 56.2064 38.6333 177.3771 79 Q 3.9619 8.3754 119.8202 59.1026 28.8203 178.8385 80 L 3.9654 7.9895 121.1857 58.0774 42.0239 178.7995 81 Q 3.8048 7.9330 119.6994 58.9552 28.9539 177.8414 82 Q 3.9608 7.9117 120.2343 59.2847 29.1267 178.4988 83 V 3.6215 7.8209 119.2312 65.9292 31.5134 177.7427 84 F 4.2959 8.5744 120.8468 61.2820 39.1340 177.0911 85 K 4.1202 8.5319 119.4045 59.4952 31.7945 178.7582 86 Q 4.0370 8.1422 117.4311 58.3756 28.7488 177.8265 87 T 4.0236 7.6274 115.8960 64.7447 68.9510 175.6050 88 F 4.7545 7.9009 116.6662 56.8808 41.4525 175.2494 89 L 4.3476 7.5500 124.7308 54.7185 41.6415 176.0595 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 4 E 8.44 3.91 0.00 2.08 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 2.14 2.26 0.00 5 N 7.46 4.78 0.00 2.94 2.61 0.00 0.00 6.90 6.67 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 6 Y 8.70 5.73 0.00 2.97 2.92 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 7 L 9.04 4.53 0.00 1.67 1.25 1.00 0.03 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 8 N 8.84 5.05 0.00 2.81 2.74 0.00 0.00 7.07 7.89 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 9 H 8.80 3.78 0.00 2.74 3.00 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.21 0.00 1.98 2.04 0.00 2.84 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 11 T 7.93 4.02 3.61 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 0.56 0.00 0.00 12 F 7.73 4.40 0.00 2.68 3.01 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 13 G 8.02 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 0.00 0.00 0.00 14 L 8.47 4.67 0.00 1.85 1.68 0.98 0.38 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 15 L 9.62 5.59 0.00 1.86 1.93 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.92 5.39 0.00 2.60 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 17 Q 8.35 2.95 0.00 1.03 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.90 0.00 0.00 0.00 0.00 0.00 1.94 1.50 0.00 18 I 8.20 4.07 1.81 0.00 0.00 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 1.10 1.08 0.95 0.00 0.00 19 C 7.05 4.59 0.00 2.75 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 20 S 8.42 4.49 0.00 3.69 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 21 F 9.06 4.77 0.00 3.23 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 22 G 9.47 3.73 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 0.00 0.00 0.00 23 D 7.31 3.73 0.00 2.74 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 *25 K 7.64 4.46 0.00 1.88 1.97 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.46 7.81 26 E 9.37 5.03 0.00 2.18 1.91 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 2.38 2.60 0.00 27 L 8.57 5.25 0.00 1.98 1.45 1.22 1.08 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 28 F 9.59 5.20 0.00 3.06 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 29 A 8.52 5.01 0.42 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 0.00 0.00 0.00 0.00 0.00 30 T 8.47 4.31 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 1.30 0.00 0.00 31 L 8.38 4.09 0.00 2.07 1.89 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.88 4.08 0.00 2.99 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 33 A 8.34 3.63 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 34 Q 7.69 3.57 0.00 2.08 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 35 R 7.41 4.10 0.00 1.75 2.01 0.00 3.20 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 36 L 7.69 4.66 0.00 1.24 0.76 0.36 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.37 5.09 0.00 3.08 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 38 F 9.36 5.40 0.00 3.11 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 39 L 9.20 4.76 0.00 1.84 1.67 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.43 4.60 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 -0.11 0.00 0.00 0.83 0.00 0.00 41 A 8.23 4.74 1.08 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 42 F 8.15 5.33 0.00 2.92 2.83 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 0.00 0.00 0.00 0.00 43 D 7.96 4.37 0.00 2.79 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 44 A 8.67 4.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 4.37 0.00 2.08 1.99 0.00 3.38 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 46 G 7.46 4.60 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 0.00 0.00 0.00 47 T 7.96 4.71 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 0.81 0.00 0.00 48 R 8.45 4.66 0.00 1.77 1.92 0.00 2.66 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 0.00 49 F 8.91 5.34 0.00 2.80 2.92 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 50 E 9.39 4.94 0.00 2.07 1.86 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 2.25 2.28 0.00 51 P 0.00 4.78 0.00 2.01 1.83 0.00 3.95 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 52 I 7.94 4.65 1.85 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 1.22 0.62 0.98 0.00 0.00 53 G 8.60 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 0.00 0.00 0.00 54 R 8.61 3.72 0.00 2.08 2.01 0.00 3.36 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 55 N 8.02 4.22 0.00 2.72 2.78 0.00 0.00 6.78 7.66 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 56 E 8.02 3.88 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 2.30 2.29 0.00 57 A 8.18 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.43 2.51 0.00 0.96 1.75 0.00 2.72 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.00 59 M 7.72 3.97 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.47 0.00 60 L 7.74 3.82 0.00 2.03 1.87 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.02 3.83 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 1.29 0.00 0.00 1.26 0.00 0.00 62 D 8.42 4.13 0.00 2.94 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 63 N 8.39 4.27 0.00 2.89 2.85 0.00 0.00 6.75 7.39 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 64 R 8.26 4.20 0.00 2.37 2.29 0.00 3.26 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 65 L 8.28 4.02 0.00 1.83 1.69 0.48 0.66 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 66 R 8.11 3.96 0.00 2.09 2.00 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 67 Q 8.22 4.05 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 68 L 8.34 4.03 0.00 2.04 1.89 0.96 1.13 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 69 R 8.18 3.55 0.00 1.57 2.09 0.00 3.18 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.29 0.00 70 R 7.68 4.09 0.00 1.85 1.95 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 71 D 8.33 4.93 0.00 2.72 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 72 A 8.20 4.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.53 0.00 4.12 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 74 L 8.43 4.02 0.00 1.73 1.81 0.91 0.78 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 75 Q 8.15 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 76 E 8.24 3.96 0.00 2.27 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 2.34 2.34 0.00 77 Y 7.93 4.04 0.00 3.04 3.16 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 78 N 8.70 4.34 0.00 2.94 2.88 0.00 0.00 7.09 6.95 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 79 Q 8.38 3.96 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 80 L 7.99 3.97 0.00 1.71 1.54 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.93 3.80 0.00 1.67 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 82 Q 7.91 3.96 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 83 V 7.82 3.62 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 1.00 0.00 0.00 0.93 0.00 0.00 84 F 8.57 4.30 0.00 3.23 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 85 K 8.53 4.12 0.00 2.00 1.99 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.55 7.81 86 Q 8.14 4.04 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 87 T 7.63 4.02 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 0.16 0.00 0.00 88 F 7.90 4.75 0.00 2.23 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 89 L 7.55 4.35 0.00 1.77 1.61 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.