NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2445 8.3144 121.7887 56.1101 33.4854 174.4550 2 E 4.5027 8.2315 124.6528 52.0268 32.1522 174.2319 3 S 4.4369 8.8082 122.6866 58.0570 66.2933 174.7619 4 A 4.0367 8.5132 124.2474 55.1470 18.2767 180.0188 5 A 3.9456 7.9732 118.6745 55.4065 18.6318 179.6020 6 A 4.0236 8.2120 119.3811 55.1006 18.4135 179.7887 7 K 4.1611 8.5099 120.0968 59.0851 32.2523 178.8747 8 F 4.1696 8.4566 121.0430 61.2192 39.2911 177.0323 9 E 3.9867 8.3526 118.0001 59.4346 29.0948 179.2887 10 R 3.8424 7.7926 117.3945 59.5412 30.2285 178.1699 11 Q 4.0147 7.9142 116.5231 57.9145 28.9745 176.5071 12 H 4.5146 8.1113 114.4970 55.4608 30.4482 174.0121 13 M 4.4672 7.6205 119.8378 53.8435 33.1287 176.3135 14 D 4.7297 8.1526 122.9817 52.5519 41.4147 174.1673 15 S 4.2101 7.8932 117.2706 59.3335 63.9138 175.1945 16 G 3.9803 9.9636 112.4236 45.5745 0.0000 172.2011 17 N 5.1632 7.1905 115.0322 51.8899 42.9941 173.0627 18 S 4.6010 7.9251 112.5897 57.4672 65.7216 176.1307 19 P 4.2629 0.0000 0.0000 64.8578 31.0712 177.5558 20 S 4.6034 7.6596 110.9672 58.0884 63.8731 175.0351 21 S 4.5791 7.9069 114.0588 58.1182 63.9372 174.2770 22 S 4.7948 7.5750 118.0199 56.6901 61.2989 174.1217 23 S 4.3440 8.6993 120.5175 59.7212 63.4592 175.4586 24 N 4.7390 8.1804 117.9730 53.0153 37.9176 175.7289 25 Y 4.0366 8.0733 121.6385 61.7274 38.6523 177.7682 26 C 4.3109 8.5221 116.9557 60.0181 40.0826 175.8109 27 N 4.4563 8.1968 116.6522 56.3622 38.2516 177.0751 28 L 4.0603 7.7372 119.0103 58.2271 41.8970 179.2269 29 M 3.9429 7.6715 117.4731 57.8342 33.3337 178.3977 30 M 4.3962 7.8559 119.8445 55.2696 27.4802 177.1846 *33 R 4.2264 7.3608 113.9579 54.9938 32.6774 176.3694 34 K 3.8594 8.0632 114.5121 58.5789 29.5568 175.3749 35 M 4.7294 8.6364 114.0404 55.3920 32.6994 177.4723 36 T 5.0982 7.7936 105.6064 60.1012 69.6747 172.9222 37 Q 4.3528 8.3658 123.5158 57.1469 29.4035 173.6561 38 G 4.1258 10.8607 114.9861 45.4954 0.0000 172.6232 39 K 3.5948 6.8228 115.1790 55.7257 34.8155 174.5990 40 C 4.8908 8.5303 117.7149 55.6818 41.0055 173.8224 41 K 4.2178 8.8163 126.9869 55.8074 32.5631 174.5309 42 P 4.7804 0.0000 0.0000 64.7056 32.0847 176.3429 43 V 5.0237 7.5449 116.2775 61.4200 35.0907 173.9386 44 N 4.5780 8.9567 123.4590 52.9431 42.7874 172.9507 45 T 4.8230 7.8458 122.6177 61.8450 70.6060 173.7334 46 F 4.6428 8.9552 124.6662 55.6582 41.7079 174.6229 47 V 4.4476 8.4116 122.8333 61.6006 32.9306 174.8292 48 H 4.9338 8.9704 124.0743 55.8607 29.4227 175.0165 49 E 4.4291 7.9832 119.2916 54.8649 31.1290 176.5592 50 S 4.3575 8.2318 114.4460 58.3287 64.9889 174.8214 51 L 3.9618 8.5338 124.5784 58.4434 41.7927 179.3156 52 A 4.0711 7.9439 120.2792 55.1370 18.1578 179.1880 53 D 4.3516 7.8530 116.8776 57.2103 41.1311 178.7004 54 V 3.8357 7.7318 118.9067 65.6547 31.4642 178.2909 55 K 4.0135 8.5515 118.3786 59.1157 31.7585 178.9066 56 A 4.0393 7.8804 120.3991 54.2956 18.1965 179.6280 57 V 3.5524 7.6849 117.2051 65.9313 31.3410 176.8381 58 C 3.8369 7.6075 114.2876 58.1036 39.9082 174.1082 59 S 4.5562 7.7333 115.6246 58.1520 63.6283 173.8486 60 Q 4.8753 7.8472 121.4148 54.0285 31.8109 173.9844 61 K 3.8056 8.9051 122.7351 57.5966 32.9912 177.3395 62 K 4.0927 8.6037 127.3525 56.6773 33.0144 176.8245 63 V 4.4431 8.5743 116.5841 60.4844 36.9532 173.8372 64 T 4.4942 8.1502 117.7743 62.4361 69.7731 176.1125 65 C 4.6950 8.9193 123.3602 56.3464 41.1411 175.0666 66 K 3.8443 9.2152 121.7798 59.8571 31.5365 178.6485 67 N 4.4551 7.9892 112.9493 53.3351 37.5928 175.3227 68 G 4.0444 7.8695 106.9613 45.8072 0.0000 174.5185 69 Q 4.1839 9.1518 119.6067 56.5724 29.1672 176.6143 70 T 4.6730 8.2893 108.3723 61.5688 69.4169 174.1211 71 N 5.0317 8.0022 118.1228 53.8853 37.7617 174.3563 72 C 5.5881 7.5652 115.1311 56.5918 40.6451 173.4655 73 Y 5.1210 9.1817 118.9750 56.3320 41.6024 174.0430 74 Q 5.0564 9.1412 126.0326 54.3644 30.3975 175.4877 75 S 4.6198 8.7294 122.1328 58.2300 63.3132 174.7657 76 K 4.1229 9.8483 123.1014 59.2176 32.6173 177.3512 77 S 4.7903 7.6590 112.0934 55.8357 65.4076 173.3970 78 T 4.0665 7.9429 111.0905 61.9738 69.7274 173.4708 79 M 4.9163 9.3510 122.1882 53.4403 36.8891 175.1257 80 R 4.7703 9.6423 121.2639 56.0363 31.2192 175.8539 81 I 5.0642 8.8911 117.2492 59.3915 42.1434 174.2669 82 T 4.9952 8.7968 118.5738 61.8415 72.0738 172.7708 83 D 4.9009 9.4990 127.2833 53.5352 43.0645 174.1973 84 C 5.6672 9.0289 123.2580 55.3460 38.4397 173.2301 85 R 5.3442 8.7546 122.3913 54.1182 33.7335 174.8641 86 E 4.2468 8.9946 123.2909 56.6944 31.0108 177.1946 87 T 4.2181 8.5853 113.6875 60.4977 70.1239 176.1724 88 G 3.6573 8.5378 111.0206 48.1472 0.0000 174.8105 89 S 4.3342 7.3246 112.6746 58.7901 63.7700 174.4439 90 S 3.9259 7.4264 116.0023 58.8597 62.3484 173.6150 91 K 4.4823 8.3844 125.9813 54.3893 34.8473 175.1725 92 Y 4.3368 8.7740 125.3798 57.6039 39.0588 173.9980 93 P 2.9700 0.0000 0.0000 62.6322 31.8273 176.9419 94 N 4.6821 7.6165 118.3320 51.9229 37.1086 173.6990 95 C 4.2046 8.0195 115.6390 57.0829 42.2199 173.3749 96 A 5.0827 8.5139 126.3921 50.2616 21.3640 174.5099 97 Y 5.1336 9.3022 119.3860 55.9893 41.9857 174.9140 98 K 4.5139 9.4339 124.0380 55.5662 34.0718 175.1935 99 T 4.8117 8.5894 124.3431 62.7097 70.0202 174.3324 100 T 4.6271 8.8477 122.8233 61.9341 72.3996 172.9427 101 Q 4.8871 8.7416 125.5849 55.0447 30.3462 175.3876 102 V 4.5075 8.5324 115.3939 60.4978 37.2970 172.9647 103 E 5.5577 8.5563 120.5037 54.1057 31.6148 175.6922 104 K 4.7048 8.3036 122.5611 55.1840 37.6348 175.1265 105 H 4.9005 9.3930 119.0573 55.6018 30.1786 174.9719 106 I 4.9229 8.6719 114.6282 59.2130 41.0853 174.3400 107 I 5.4581 7.9409 123.4542 58.7087 40.5187 175.1057 108 V 4.6906 8.3156 118.3982 59.3959 36.3888 173.9180 109 A 5.2903 8.9105 123.6654 50.7229 21.2335 175.3832 110 C 5.4937 9.0323 118.7018 55.4368 44.8799 173.5440 111 G 3.9750 8.9248 108.4469 45.8960 0.0000 172.8890 112 G 4.2816 8.7412 109.6698 44.4438 0.0000 172.7083 113 K 4.4377 8.2173 117.2286 53.6178 34.4696 174.9678 114 P 4.4061 0.0000 0.0000 61.8270 32.2239 175.6220 115 S 4.5227 8.3547 113.2913 58.6910 62.3033 173.3366 116 V 4.5913 8.5170 120.4338 58.3892 35.7220 173.6919 117 P 4.7412 0.0000 0.0000 63.2587 31.5925 176.6835 118 V 4.5455 8.6345 115.2359 60.5336 34.3595 174.7747 119 H 4.4864 7.8597 117.0503 55.5061 33.0386 172.2832 120 F 4.5307 8.8769 128.2187 57.4056 39.8371 174.1931 121 D 4.6541 8.4965 126.6307 55.8319 41.8893 175.7624 122 A 4.7766 6.9095 117.3379 51.2168 22.8936 174.3774 123 S 5.2281 8.7786 113.6929 56.5188 65.6899 174.6504 124 V 4.1367 9.0669 123.1673 61.7881 31.4614 175.3659 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 K 8.31 4.24 0.00 1.73 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.23 4.50 0.00 2.08 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 2.27 2.37 0.00 3 S 8.81 4.44 0.00 4.10 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 4 A 8.51 4.04 1.36 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 0.00 0.00 5 A 7.97 3.95 1.33 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 6 A 8.21 4.02 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 7 K 8.51 4.16 0.00 2.01 2.03 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 8 F 8.46 4.17 0.00 3.19 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 9 E 8.35 3.99 0.00 2.32 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 0.00 2.51 2.68 0.00 10 R 7.79 3.84 0.00 1.80 2.06 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 11 Q 7.91 4.01 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 12 H 8.11 4.51 0.00 1.84 2.80 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.62 4.47 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 14 D 8.15 4.73 0.00 2.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.89 4.21 0.00 3.91 3.79 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 16 G 9.96 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 0.00 0.00 0.00 0.00 17 N 7.19 5.16 0.00 3.03 2.69 0.00 0.00 6.88 7.57 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 18 S 7.93 4.60 0.00 3.90 3.91 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 19 P 0.00 4.26 0.00 2.05 2.16 0.00 3.65 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 2.02 2.07 0.00 20 S 7.66 4.60 0.00 3.98 3.94 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 0.00 0.00 0.00 0.00 21 S 7.91 4.58 0.00 3.82 3.72 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 22 S 7.57 4.79 0.00 4.07 3.83 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 23 S 8.70 4.34 0.00 4.06 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 24 N 8.18 4.74 0.00 2.91 3.10 0.00 0.00 5.87 7.57 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 25 Y 8.07 4.04 0.00 3.20 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 26 C 8.52 4.31 0.00 3.18 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 27 N 8.20 4.46 0.00 2.92 2.94 0.00 0.00 6.92 7.85 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 28 L 7.74 4.06 0.00 1.56 1.58 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.67 3.94 0.00 1.06 1.39 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.79 0.00 30 M 7.86 4.40 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.44 0.00 *33 R 7.36 4.23 0.00 2.04 2.07 0.00 3.59 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 34 K 8.06 3.86 0.00 1.88 1.87 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.39 7.81 35 M 8.64 4.73 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.40 0.00 36 T 7.79 5.10 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 Q 8.37 4.35 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 38 G 10.86 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 6.82 3.59 0.00 1.70 1.61 0.00 1.40 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.35 7.81 40 C 8.53 4.89 0.00 3.10 3.18 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 0.00 0.00 0.00 0.00 41 K 8.82 4.22 0.00 1.84 1.77 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.42 7.81 42 P 0.00 4.78 0.00 2.15 2.12 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 43 V 7.54 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 0.83 0.00 0.00 0.98 0.00 0.00 44 N 8.96 4.58 0.00 2.65 2.28 0.00 0.00 7.05 6.84 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 45 T 7.85 4.82 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 0.96 0.00 0.00 46 F 8.96 4.64 0.00 2.99 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 47 V 8.41 4.45 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 0.85 0.00 0.00 1.02 0.00 0.00 48 H 8.97 4.93 0.00 3.17 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.98 4.43 0.00 1.99 1.93 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 2.32 2.26 0.00 50 S 8.23 4.36 0.00 4.06 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 51 L 8.53 3.96 0.00 1.80 1.72 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.94 4.07 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.85 4.35 0.00 2.87 2.76 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 0.00 0.00 0.00 54 V 7.73 3.84 2.22 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 1.09 0.00 0.00 1.04 0.00 0.00 55 K 8.55 4.01 0.00 1.87 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 56 A 7.88 4.04 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 57 V 7.68 3.55 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 1.20 0.00 0.00 0.99 0.00 0.00 58 C 7.61 3.84 0.00 2.89 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 59 S 7.73 4.56 0.00 3.91 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 60 Q 7.85 4.88 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 61 K 8.91 3.81 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.51 7.81 62 K 8.60 4.09 0.00 1.59 1.51 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 1.49 7.81 63 V 8.57 4.44 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 0.76 0.00 0.00 0.82 0.00 0.00 64 T 8.15 4.49 4.19 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 1.28 0.00 0.00 65 C 8.92 4.69 0.00 3.04 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 66 K 9.22 3.84 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 67 N 7.99 4.46 0.00 2.82 2.93 0.00 0.00 6.23 7.00 0.00 0.00 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 G 7.87 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 69 Q 9.15 4.18 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 70 T 8.29 4.67 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 1.22 0.00 0.00 71 N 8.00 5.03 0.00 2.86 3.06 0.00 0.00 5.97 7.68 0.00 0.00 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 C 7.57 5.59 0.00 3.03 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 Y 9.18 5.12 0.00 2.83 2.94 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 0.00 0.00 0.00 0.00 74 Q 9.14 5.06 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 75 S 8.73 4.62 0.00 3.95 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 76 K 9.85 4.12 0.00 1.87 2.01 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.38 7.81 77 S 7.66 4.79 0.00 3.96 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 78 T 7.94 4.07 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 1.06 0.00 0.00 79 M 9.35 4.92 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 80 R 9.64 4.77 0.00 1.94 1.93 0.00 3.12 0.00 0.00 3.63 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 81 I 8.89 5.06 1.92 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 1.37 0.83 0.97 0.00 0.00 82 T 8.80 5.00 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 1.27 0.00 0.00 83 D 9.50 4.90 0.00 2.69 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 84 C 9.03 5.67 0.00 3.00 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 85 R 8.75 5.34 0.00 1.74 1.83 0.00 3.50 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 86 E 8.99 4.25 0.00 1.89 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 1.83 2.01 0.00 87 T 8.59 4.22 4.22 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 1.20 0.00 0.00 88 G 8.54 3.66 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 89 S 7.32 4.33 0.00 3.81 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 0.00 90 S 7.43 3.93 0.00 3.87 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 91 K 8.38 4.48 0.00 1.78 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.62 7.81 92 Y 8.77 4.34 0.00 2.90 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 93 P 0.00 2.97 0.00 1.69 0.88 0.00 3.61 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 94 N 7.62 4.68 0.00 2.64 2.76 0.00 0.00 6.91 7.33 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 95 C 8.02 4.20 0.00 3.12 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 96 A 8.51 5.08 1.14 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 97 Y 9.30 5.13 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 98 K 9.43 4.51 0.00 1.88 1.74 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.50 7.81 99 T 8.59 4.81 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 1.26 0.00 0.00 100 T 8.85 4.63 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 1.23 0.00 0.00 101 Q 8.74 4.89 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 102 V 8.53 4.51 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 0.65 0.00 0.00 0.95 0.00 0.00 103 E 8.56 5.56 0.00 1.80 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 2.19 2.13 0.00 104 K 8.30 4.70 0.00 1.67 1.79 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.45 7.81 105 H 9.39 4.90 0.00 3.15 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.67 4.92 1.63 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 1.16 0.00 0.00 107 I 7.94 5.46 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.46 0.86 0.00 0.00 108 V 8.32 4.69 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 0.52 0.00 0.00 0.94 0.00 0.00 109 A 8.91 5.29 1.31 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 0.00 110 C 9.03 5.49 0.00 2.80 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 0.00 111 G 8.92 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 0.00 0.00 0.00 0.00 112 G 8.74 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 0.00 0.00 0.00 0.00 113 K 8.22 4.44 0.00 1.69 1.70 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.33 7.81 114 P 0.00 4.41 0.00 2.14 2.06 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 115 S 8.35 4.52 0.00 3.82 3.67 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 0.00 116 V 8.52 4.59 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 0.67 0.00 0.00 0.98 0.00 0.00 117 P 0.00 4.74 0.00 1.96 2.02 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 118 V 8.63 4.55 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 0.72 0.00 0.00 0.99 0.00 0.00 119 H 7.86 4.49 0.00 3.23 3.11 0.00 5.85 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 0.00 120 F 8.88 4.53 0.00 3.02 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 0.00 121 D 8.50 4.65 0.00 2.59 2.60 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 0.00 122 A 6.91 4.78 1.20 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 0.00 123 S 8.78 5.23 0.00 3.96 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 0.00 124 V 9.07 4.14 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 0.93 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.