NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3498 8.1127 117.2849 55.7007 31.0616 175.7325 9 Y 4.0147 8.7568 118.8501 59.2642 38.4497 176.8042 10 C 4.2575 9.0673 113.5876 60.1127 30.7206 173.5718 11 K 4.3869 7.7865 118.4983 55.9643 32.2964 176.8430 12 R 4.0550 7.6418 119.1614 56.3549 30.4723 176.0157 13 T 4.7114 7.8650 109.8071 59.7517 71.8513 173.9250 14 I 3.9275 8.1929 123.6372 59.6467 36.3011 174.3512 15 P 4.4587 0.0000 0.0000 61.0398 32.0105 174.3452 16 P 4.5199 0.0000 0.0000 64.0940 31.4633 177.0921 17 G 4.0761 9.1984 111.3957 45.4427 0.0000 173.0637 18 Y 4.4981 7.3557 116.0492 56.6783 38.8293 175.6914 19 K 4.4890 9.8221 124.2143 55.5486 33.7516 178.7125 20 V 3.7549 8.5606 119.9529 66.4106 30.9543 177.9708 21 D 5.5056 8.1295 119.4139 55.7361 38.8949 177.4618 22 Q 4.1956 7.6321 116.3791 56.6835 28.9177 176.1621 23 V 3.9758 7.1401 118.0322 63.6933 33.3886 176.4444 24 F 5.0640 7.8990 115.6928 55.9951 39.5162 176.4958 25 G 4.0213 8.2479 111.3490 43.8102 0.0000 171.9019 26 P 4.7283 0.0000 0.0000 62.4459 31.8476 176.5323 27 R 4.7089 8.2812 119.0084 56.4158 31.0300 176.0943 28 T 4.8885 8.3956 112.2744 59.8286 72.7201 171.8360 29 K 4.6321 7.9266 121.1979 55.8535 35.2336 177.0645 30 G 4.1400 9.4241 114.3351 46.0761 0.0000 172.2362 31 K 4.7499 7.3707 117.8324 53.7299 35.3511 175.3826 32 E 4.0248 8.5386 119.2947 58.4060 29.8590 177.4632 33 G 4.0717 9.2679 111.4599 45.8382 0.0000 173.3823 34 N 4.8325 8.2559 114.9815 52.2403 37.6587 173.4836 35 F 4.7013 8.8116 121.0487 56.7778 40.8252 173.2070 36 G 3.4008 7.0905 114.9379 44.4505 0.0000 173.7931 37 D 4.7345 8.2689 127.4799 52.3836 43.0231 176.4332 38 D 4.4682 7.9193 118.7018 57.2485 40.6365 178.6554 39 K 3.8757 8.0739 119.9387 59.6654 32.2906 177.9415 40 M 4.3775 8.4257 119.6065 58.2881 32.1821 177.6690 41 N 4.3711 8.7741 117.1503 56.6848 38.7985 176.4765 42 E 3.9026 8.2512 119.9710 59.4126 30.0528 178.2402 43 E 4.2192 8.9247 118.7144 55.2689 30.1231 178.8889 44 G 3.9909 9.3703 107.3768 46.5416 0.0000 177.8084 45 I 3.9119 8.7252 119.0764 62.8716 37.6316 177.2163 46 K 4.0864 7.6764 120.3399 58.6490 32.1733 176.8532 47 D 4.4893 8.1168 120.1824 53.8824 41.7383 177.0282 48 G 3.7841 8.6940 112.7344 46.8253 0.0000 175.7482 49 R 4.0843 8.9594 120.8805 58.8427 29.8670 179.0786 50 V 3.6214 7.6356 118.6113 66.3483 31.3877 177.8203 51 T 3.8621 8.0235 113.3746 66.8450 68.6196 175.5688 52 A 4.2706 7.8925 121.7524 55.7960 18.3918 179.6846 53 M 4.1114 8.0191 116.6143 58.1960 31.8918 178.4964 54 L 4.0571 8.0086 117.5109 56.4806 41.8242 178.2590 55 N 4.5702 7.8754 115.5687 54.3710 38.8534 175.3867 56 L 4.3608 7.7083 118.9144 54.2164 42.9643 176.5780 57 V 3.6996 7.4031 119.7072 60.8548 32.0774 173.7247 58 P 3.7690 0.0000 0.0000 62.4830 31.4915 176.7781 59 S 4.1643 8.2730 116.5857 58.3457 64.7278 175.5355 60 S 3.9490 8.3889 117.2003 62.0371 62.4534 176.3434 61 H 4.3124 8.1577 119.0043 58.5975 28.4862 177.4277 62 A 4.1018 8.5204 122.9912 55.1885 17.8805 179.3524 63 C 3.8968 7.8696 117.1622 62.3777 31.4240 175.5539 64 L 3.9786 7.5139 120.4595 57.8311 41.8162 178.1747 65 F 4.9610 8.1325 114.3473 57.4435 39.7242 176.5212 66 G 4.2018 8.4697 106.6613 45.6388 0.0000 174.1154 67 S 4.7193 7.6763 114.6016 57.9860 64.4292 173.8255 68 R 4.2288 8.9057 122.9181 56.0037 30.8001 175.1107 69 V 4.6575 8.3641 126.5516 61.6242 33.5796 175.1020 70 T 4.5906 8.5171 123.7396 61.0418 71.9540 171.3861 71 P 4.5898 0.0000 0.0000 62.2998 32.2187 175.8918 72 K 4.3909 9.2317 124.1759 54.5251 34.9290 174.5245 73 L 4.7685 8.5637 130.6684 54.3815 42.7969 175.8337 74 Q 4.7195 9.2478 125.2843 53.0284 31.7910 174.7769 75 P 4.2532 0.0000 0.0000 66.0225 31.3075 177.8829 76 D 4.5294 8.1380 115.5766 53.7579 40.5087 177.0783 77 G 3.7507 6.9196 106.5681 45.8078 0.0000 170.0618 78 L 4.5637 8.1224 124.8005 54.6279 43.1733 177.6294 79 H 4.6043 10.2788 125.6094 54.3925 29.6065 173.7116 80 L 4.5316 8.2939 126.1447 53.5496 42.7350 175.1332 81 K 4.4907 8.5465 128.8480 54.6954 34.3512 174.7259 82 F 5.1946 8.8429 126.0382 55.8416 40.9828 175.2760 *83 E 4.4811 9.5342 123.7196 54.5814 30.3266 173.4491 84 F 4.6595 8.6490 128.3116 57.0231 41.0931 174.6423 85 T 4.3889 7.5077 123.0687 61.9358 69.5491 173.8987 86 T 4.2881 8.4291 123.8502 62.6831 69.4966 174.5612 87 V 4.1489 8.3019 125.3848 61.0560 32.9373 175.0639 88 V 4.2485 8.2335 127.7271 60.3602 31.6093 173.4323 89 P 4.4338 0.0000 0.0000 62.2565 31.8087 178.0173 90 R 2.5100 8.2676 120.6710 58.0032 30.0723 176.8530 91 D 4.5947 7.5483 114.7496 52.4804 40.0381 175.6895 92 D 4.3588 7.8006 120.1911 54.5619 41.3602 174.6177 93 P 4.2516 0.0000 0.0000 65.2014 31.4868 175.9701 94 Q 4.3738 9.3574 116.0640 54.1310 30.8265 173.0427 95 F 4.7511 7.7795 125.2325 59.0220 38.4320 175.4891 96 D 4.2392 8.2864 121.1375 57.4451 40.6939 178.3087 97 N 4.2152 7.9747 116.8633 56.8592 38.8371 176.3974 98 Y 4.2569 7.3856 117.5438 61.0521 38.1299 178.0014 99 V 3.4718 7.9526 119.6243 66.0090 31.5197 177.9915 100 K 3.9261 7.9763 119.1086 59.5889 32.0336 178.8594 101 I 3.7699 8.0124 120.2103 64.9227 36.9138 177.6306 102 C 4.2061 8.8459 117.9812 62.6087 27.6833 176.3096 103 D 4.5109 8.1963 121.2882 57.5831 40.6822 179.5502 104 Q 4.0974 7.9478 117.2014 58.2467 28.9683 176.9983 105 C 4.3451 7.6647 116.0457 59.6856 30.5039 174.1476 106 V 3.7266 8.2185 120.9387 64.0706 31.6392 175.8601 107 D 4.5664 7.9808 128.8281 54.6596 38.5881 174.1185 108 G 3.9679 7.3256 105.0175 44.7221 0.0000 172.5689 109 V 3.8816 7.5766 119.5657 62.9619 31.6518 177.0991 110 G 3.8902 8.3293 106.7248 45.8132 0.0000 173.2986 111 T 4.3512 7.8537 115.0432 60.1936 68.0137 173.8230 112 R 4.5153 8.2278 127.8610 54.7378 31.3731 175.1327 113 P 4.4083 0.0000 0.0000 62.9938 31.3576 176.6620 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 8 R 8.11 4.35 0.00 2.09 2.20 0.00 2.99 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 9 Y 8.76 4.01 0.00 3.13 3.10 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 10 C 9.07 4.26 0.00 3.12 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 11 K 7.79 4.39 0.00 1.84 1.83 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.50 7.81 12 R 7.64 4.06 0.00 1.72 1.51 0.00 2.78 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 13 T 7.86 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 1.19 0.00 0.00 14 I 8.19 3.93 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.99 0.00 0.00 15 P 0.00 4.46 0.00 1.97 1.83 0.00 3.01 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.73 0.00 16 P 0.00 4.52 0.00 2.10 2.03 0.00 3.68 0.00 0.00 3.67 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 17 G 9.20 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 18 Y 7.36 4.50 0.00 3.16 2.90 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 19 K 9.82 4.49 0.00 1.77 1.98 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.49 7.81 20 V 8.56 3.75 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.04 0.00 0.00 21 D 8.13 5.51 0.00 3.03 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 22 Q 7.63 4.20 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 23 V 7.14 3.98 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 -0.23 0.00 0.00 0.73 0.00 0.00 24 F 7.90 5.06 0.00 3.09 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 25 G 8.25 4.02 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 0.00 0.00 0.00 26 P 0.00 4.73 0.00 2.09 2.03 0.00 3.72 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 2.05 2.14 0.00 27 R 8.28 4.71 0.00 1.71 1.87 0.00 3.47 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 28 T 8.40 4.89 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 1.29 0.00 0.00 29 K 7.93 4.63 0.00 1.80 1.64 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.37 7.81 30 G 9.42 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 0.00 0.00 0.00 31 K 7.37 4.75 0.00 1.69 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.59 7.81 32 E 8.54 4.02 0.00 2.01 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 2.35 0.00 33 G 9.27 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 0.00 0.00 0.00 0.00 34 N 8.26 4.83 0.00 3.10 3.14 0.00 0.00 5.63 8.12 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 35 F 8.81 4.70 0.00 3.00 2.97 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 36 G 7.09 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 0.00 0.00 0.00 37 D 8.27 4.73 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 38 D 7.92 4.47 0.00 2.90 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 39 K 8.07 3.88 0.00 1.81 1.99 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.50 7.81 40 M 8.43 4.38 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 41 N 8.77 4.37 0.00 2.78 2.89 0.00 0.00 6.97 7.65 0.00 0.00 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 8.25 3.90 0.00 2.07 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 0.00 2.33 2.35 0.00 43 E 8.92 4.22 0.00 2.03 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 2.33 2.50 0.00 44 G 9.37 3.99 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 0.00 0.00 0.00 45 I 8.73 3.91 1.90 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 1.46 0.67 0.99 0.00 0.00 46 K 7.68 4.09 0.00 1.92 1.94 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.54 7.81 47 D 8.12 4.49 0.00 2.75 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 48 G 8.69 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.96 4.08 0.00 2.01 2.09 0.00 3.22 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 50 V 7.64 3.62 2.21 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 1.15 0.00 0.00 1.10 0.00 0.00 51 T 8.02 3.86 4.39 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 1.23 0.00 0.00 52 A 7.89 4.27 1.41 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 0.00 0.00 53 M 8.02 4.11 0.00 1.88 2.30 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.06 0.00 54 L 8.01 4.06 0.00 1.72 1.67 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 N 7.88 4.57 0.00 3.05 2.93 0.00 0.00 6.82 8.48 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 56 L 7.71 4.36 0.00 1.43 1.47 0.24 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.40 3.70 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 0.61 0.00 0.00 0.77 0.00 0.00 58 P 0.00 3.77 0.00 1.54 0.49 0.00 3.55 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.08 0.00 59 S 8.27 4.16 0.00 3.96 3.96 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 60 S 8.39 3.95 0.00 3.95 4.06 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 61 H 8.16 4.31 0.00 3.22 3.55 0.00 5.64 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 62 A 8.52 4.10 1.10 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 63 C 7.87 3.90 0.00 2.73 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 64 L 7.51 3.98 0.00 1.53 0.92 0.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.13 4.96 0.00 3.26 3.10 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 66 G 8.47 4.20 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 0.00 67 S 7.68 4.72 0.00 4.17 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 68 R 8.91 4.23 0.00 1.87 1.80 0.00 3.05 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 69 V 8.36 4.66 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 0.52 0.00 0.00 0.98 0.00 0.00 70 T 8.52 4.59 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 71 P 0.00 4.59 0.00 2.04 1.98 0.00 3.65 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 1.95 1.92 0.00 72 K 9.23 4.39 0.00 1.73 1.67 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.32 7.81 73 L 8.56 4.77 0.00 1.69 1.56 0.92 0.79 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 74 Q 9.25 4.72 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.46 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 75 P 0.00 4.25 0.00 2.03 2.14 0.00 3.65 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 2.03 2.10 0.00 76 D 8.14 4.53 0.00 2.80 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 77 G 6.92 3.75 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 0.00 0.00 0.00 78 L 8.12 4.56 0.00 1.65 1.59 0.91 0.91 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 79 H 10.28 4.60 0.00 3.23 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.29 4.53 0.00 1.59 1.48 0.86 0.21 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 81 K 8.55 4.49 0.00 1.82 1.69 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.40 7.81 82 F 8.84 5.19 0.00 2.94 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 *83 E 9.53 4.48 0.00 1.97 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 0.00 2.18 2.21 0.00 84 F 8.65 4.66 0.00 3.12 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 85 T 7.51 4.39 4.05 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 1.15 0.00 0.00 86 T 8.43 4.29 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 1.25 0.00 0.00 87 V 8.30 4.15 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 0.82 0.00 0.00 0.90 0.00 0.00 88 V 8.23 4.25 2.26 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 1.31 0.00 0.00 0.83 0.00 0.00 89 P 0.00 4.43 0.00 2.20 1.94 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 90 R 8.27 2.51 0.00 1.50 1.64 0.00 3.11 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.00 91 D 7.55 4.59 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 4.36 0.00 2.86 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 93 P 0.00 4.25 0.00 2.09 2.15 0.00 3.76 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 2.07 2.16 0.00 94 Q 9.36 4.37 0.00 2.23 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.17 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 95 F 7.78 4.75 0.00 3.39 3.31 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 96 D 8.29 4.24 0.00 2.74 2.72 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 97 N 7.97 4.22 0.00 2.58 2.71 0.00 0.00 7.18 7.56 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 98 Y 7.39 4.26 0.00 3.13 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 99 V 7.95 3.47 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 0.88 0.00 0.00 0.19 0.00 0.00 100 K 7.98 3.93 0.00 2.06 1.76 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 101 I 8.01 3.77 2.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 1.08 0.00 0.00 102 C 8.85 4.21 0.00 3.15 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 0.00 103 D 8.20 4.51 0.00 2.88 2.69 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 0.00 104 Q 7.95 4.10 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 105 C 7.66 4.35 0.00 1.89 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 0.00 0.00 0.00 106 V 8.22 3.73 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 0.78 0.00 0.00 1.04 0.00 0.00 107 D 7.98 4.57 0.00 2.75 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 0.00 108 G 7.33 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 0.00 109 V 7.58 3.88 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 0.79 0.00 0.00 0.94 0.00 0.00 110 G 8.33 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 0.00 0.00 0.00 111 T 7.85 4.35 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 1.17 0.00 0.00 112 R 8.23 4.52 0.00 1.83 1.83 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 113 P 0.00 4.41 0.00 2.03 2.09 0.00 3.70 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 2.02 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.