NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.0261 8.3716 117.1858 51.5274 39.3476 173.2507 3 L 4.0859 8.2444 118.3061 53.7032 42.0444 174.0954 4 P 4.4071 0.0000 0.0000 63.3322 32.4913 176.4492 5 T 4.2540 8.6810 112.1900 60.7415 71.3893 175.6041 6 A 4.0207 8.4457 121.8512 55.6130 18.3917 179.7632 7 Q 3.9487 7.9810 115.9307 59.1299 28.7516 178.7115 8 E 3.9165 7.9508 119.7639 59.1792 29.4576 179.4837 9 V 3.0808 7.9206 118.6864 65.8660 31.6569 178.1119 10 Q 4.0884 7.9943 117.6495 58.9390 28.5576 179.1064 11 G 3.5713 7.9254 106.3606 47.6582 0.0000 175.8470 12 L 3.9789 8.0824 121.7620 57.9367 41.5024 179.5972 13 M 4.2517 8.2708 118.3680 58.1417 31.9699 178.7325 14 A 4.0312 8.0168 120.9950 54.9316 18.4950 179.6393 15 R 3.8124 8.0260 117.3690 59.6259 30.1922 177.8850 16 Y 4.0024 8.1110 119.3380 61.0810 38.7154 178.5089 17 I 3.4722 7.6217 120.4913 64.0216 37.0778 178.3181 18 E 3.8969 7.8895 119.3290 59.4161 29.2807 179.3909 19 L 3.8871 7.8816 119.0252 57.7064 41.4136 179.7835 20 V 3.3890 7.1985 117.2149 65.7342 31.4633 177.2645 21 D 4.4155 7.8498 116.9392 57.5780 41.2147 178.4592 22 V 3.8360 7.5814 111.3564 61.9772 31.6706 176.7690 23 G 3.7261 8.0522 106.1186 46.7908 0.0000 174.5916 24 D 4.5656 7.7387 120.4131 52.2536 39.8509 175.1931 25 I 3.6309 7.9371 125.9319 64.1631 37.3079 177.3752 26 E 3.9733 8.1446 118.4966 59.2873 29.1140 179.1110 27 A 4.0192 7.8455 119.9945 54.8413 18.7237 179.5851 28 I 3.7291 7.6835 118.4916 64.6572 37.1409 178.7549 29 V 3.7613 7.8735 119.0546 66.1099 31.0704 177.5050 30 Q 4.1849 7.7423 117.8062 58.4665 29.1500 177.3233 31 M 4.2324 8.1887 119.4532 57.0967 32.0410 175.9049 32 Y 4.6158 7.1544 115.7188 56.7323 39.4458 175.2956 33 A 4.3422 8.6372 125.6068 51.6975 19.3614 178.7831 34 D 4.4917 8.8156 119.6835 55.6437 39.4774 177.5769 35 D 4.4956 7.8170 117.5647 52.5385 39.9894 175.7507 36 A 4.7041 8.1406 121.4414 52.6055 20.0351 177.3398 37 T 5.0600 8.3976 108.4125 59.8738 72.4320 173.0617 38 V 4.7372 8.5577 122.6260 61.3153 35.1448 174.1206 39 E 4.6781 9.2433 126.9887 54.3928 31.6969 173.8794 40 D 4.9893 8.1348 123.0878 51.6904 43.9453 172.9320 41 P 4.6623 0.0000 0.0000 61.7666 33.1993 175.3447 42 F 4.0685 8.6044 124.4681 59.5983 39.0986 174.5174 43 G 3.5869 7.7572 114.0735 45.7106 0.0000 173.9861 44 Q 4.2032 7.2973 120.0106 53.7405 30.0956 173.5311 45 P 4.2731 0.0000 0.0000 61.8959 31.9457 174.4724 46 P 4.7451 0.0000 0.0000 62.8902 32.4372 175.1676 47 I 4.4875 8.3563 114.6803 59.4566 40.0742 173.8292 48 H 5.1256 8.7613 124.5778 55.5024 32.5269 173.9941 49 G 4.1272 8.9595 110.6427 46.0836 0.0000 174.6112 50 R 3.9115 8.3973 120.0499 59.0234 29.9872 179.1625 51 E 3.8986 8.1299 118.4339 59.6740 29.7550 178.9178 52 Q 4.0780 8.0255 117.3684 58.8700 28.7938 178.7498 53 I 3.7317 7.9236 120.8938 64.1849 37.0347 178.2671 54 A 4.1500 8.6862 121.8950 55.0388 18.2320 179.4825 55 A 3.9454 8.1058 119.3492 55.2445 18.5000 179.4807 56 F 4.0355 8.3566 119.1101 61.9262 39.4507 177.0726 57 Y 3.7428 8.1956 116.1611 60.7600 37.3975 178.3230 58 R 3.9523 8.1567 119.4084 59.3247 30.2489 178.1194 59 Q 4.1312 7.9163 118.6833 59.1627 29.1745 178.1123 60 G 3.3968 7.7079 105.5679 45.7130 0.0000 173.6496 61 L 4.5155 7.6133 120.4758 52.6802 43.5240 176.7722 *65 K 4.0868 8.2072 123.0102 56.1615 32.0686 173.7929 66 V 4.8621 7.7188 121.0104 60.4125 35.1660 174.1042 67 R 4.9437 8.9112 122.5631 54.3793 32.6961 173.9198 68 A 5.4965 8.9033 123.1555 50.4925 22.3194 175.0813 69 C 4.8395 8.9083 114.5952 56.4138 33.5784 173.4631 70 L 4.7754 8.7078 121.7907 55.1050 41.8150 176.9894 71 T 4.4614 8.4574 112.6752 60.6634 69.0986 173.8548 72 G 3.9908 7.3225 109.4342 44.6498 0.0000 171.5941 73 P 4.4319 0.0000 0.0000 62.2586 31.9386 176.0145 74 V 4.0302 8.1339 119.8635 62.8512 32.3643 175.2713 75 R 4.5810 9.1818 127.6966 55.1205 31.4857 175.3816 76 A 5.2092 8.5423 125.0358 50.2914 22.4025 175.3241 77 S 4.6646 8.4540 115.6922 57.3226 65.6943 173.5411 78 H 4.7842 8.7918 115.2249 56.2035 28.9398 175.2847 79 N 4.8857 7.6809 116.2692 52.6373 37.7431 175.4186 80 G 3.9713 8.4400 104.5063 47.4436 0.0000 173.1929 81 C 5.4740 7.8648 115.9161 57.9317 31.9816 173.1199 82 G 4.6715 8.9509 106.7502 45.3670 0.0000 171.6406 83 A 5.4788 9.3034 122.2338 50.4392 23.1917 175.2148 84 M 5.2427 9.1036 118.0160 53.2625 35.3620 171.9444 85 P 5.4216 0.0000 0.0000 61.8065 33.8244 174.2719 86 F 5.5029 8.8374 116.9935 56.0196 42.0614 172.6358 87 R 4.9953 9.1466 119.1107 54.4668 33.4345 174.0611 88 V 4.9377 8.6777 124.7709 61.1351 34.6729 173.8089 89 E 5.1895 9.3686 127.6409 54.9712 32.3487 175.1808 90 M 5.0863 9.0326 121.0311 54.1456 35.5506 173.9424 91 V 4.4565 8.2932 117.5757 61.0305 32.7787 175.2270 92 W 4.6446 9.4214 135.0000 56.8329 30.0064 174.7908 93 N 4.2423 9.8569 124.4676 53.9756 35.1009 173.4207 94 G 4.2850 8.2232 110.3306 45.4183 0.0000 171.9986 95 Q 4.2532 7.4666 122.1638 53.9219 29.6798 172.8445 96 P 4.9488 0.0000 0.0000 62.6121 32.3667 174.9349 97 C 5.2871 9.0700 116.5259 56.3845 33.7211 172.3840 98 A 5.2388 9.0824 120.0851 50.1319 22.6805 174.9125 99 L 4.9434 8.7211 121.2195 53.4774 45.5347 174.8325 100 D 5.0330 8.6895 126.7070 53.1949 41.9488 176.1957 101 V 4.7226 8.3453 122.7084 61.0693 35.9396 174.0317 102 I 5.0655 8.5155 124.7712 59.7842 40.5861 174.1018 103 D 5.5845 9.1472 126.7703 52.7981 43.3989 175.6090 104 V 4.9456 9.0597 122.7835 61.4604 34.3663 174.2120 105 M 5.1785 9.1019 126.5631 53.4199 36.4583 174.2153 106 R 5.0482 8.5086 121.8629 54.6901 32.9390 174.6107 107 F 5.1436 9.5006 125.4415 56.2637 41.4674 175.1808 108 D 4.9756 8.9406 122.0400 51.6032 42.2346 176.8973 109 E 4.0585 8.8411 114.4402 58.3395 29.2354 177.3751 110 H 4.8391 8.7197 115.6777 55.3713 30.0335 174.5376 111 G 3.9241 8.8408 108.0582 45.8358 0.0000 173.5898 112 R 4.7973 7.9326 117.5470 53.8028 32.5841 175.4810 113 I 3.5408 8.1771 122.2651 61.6262 37.2151 176.6072 114 Q 4.1284 9.2015 130.1659 58.4522 30.4960 175.5043 115 T 4.9819 7.4232 111.8198 60.7957 71.3021 172.2274 116 M 5.2583 8.9112 126.5004 53.9866 36.1177 173.7357 117 Q 5.0742 9.3310 123.9045 54.0436 33.1597 173.8730 118 A 5.4086 9.0148 125.6141 50.5012 22.0349 174.6218 119 Y 4.8649 9.2909 121.6805 56.5206 39.6023 175.1796 120 W 4.8417 8.2744 120.6801 57.1344 30.5322 173.7644 121 S 4.1676 8.2939 113.8497 57.7060 65.2638 174.6201 122 E 4.1644 8.8611 118.3299 59.7540 29.2424 179.5616 123 V 3.8317 7.4803 110.2532 63.4755 31.8787 176.3575 124 N 4.9384 8.4733 116.6493 52.8117 39.6964 173.8344 125 L 5.1148 7.7666 121.4204 53.6612 44.1465 176.2690 126 S 4.7266 9.2045 121.3658 56.8016 66.1057 174.7850 127 V 4.0767 8.3792 123.5204 61.6535 31.3560 175.6600 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 2 N 8.37 5.03 0.00 2.76 2.70 0.00 0.00 6.65 6.90 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 3 L 8.24 4.09 0.00 1.66 1.62 0.97 0.63 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 4 P 0.00 4.41 0.00 1.92 1.80 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 5 T 8.68 4.25 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 6 A 8.45 4.02 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 7 Q 7.98 3.95 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 7.95 3.92 0.00 2.04 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 2.25 0.00 9 V 7.92 3.08 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 1.10 0.00 0.00 0.77 0.00 0.00 10 Q 7.99 4.09 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 11 G 7.93 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 12 L 8.08 3.98 0.00 1.42 1.65 0.31 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.27 4.25 0.00 2.14 2.24 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 2.97 2.75 0.00 14 A 8.02 4.03 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 15 R 8.03 3.81 0.00 1.99 2.15 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 Y 8.11 4.00 0.00 3.13 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 17 I 7.62 3.47 1.94 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.56 0.83 0.00 0.00 18 E 7.89 3.90 0.00 2.23 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 2.30 2.36 0.00 19 L 7.88 3.89 0.00 1.59 1.55 0.87 0.61 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 20 V 7.20 3.39 1.90 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 0.75 0.00 0.00 0.30 0.00 0.00 21 D 7.85 4.42 0.00 2.86 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 22 V 7.58 3.84 2.05 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 0.79 0.00 0.00 1.00 0.00 0.00 23 G 8.05 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 24 D 7.74 4.57 0.00 2.68 2.52 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 25 I 7.94 3.63 1.87 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 1.67 0.59 0.95 0.00 0.00 26 E 8.14 3.97 0.00 2.00 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 2.41 2.38 0.00 27 A 7.85 4.02 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 28 I 7.68 3.73 1.71 0.00 0.00 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 1.09 0.89 0.22 0.00 0.00 29 V 7.87 3.76 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 1.05 0.00 0.00 1.04 0.00 0.00 30 Q 7.74 4.18 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.19 4.23 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 32 Y 7.15 4.62 0.00 3.16 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 33 A 8.64 4.34 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.82 4.49 0.00 2.85 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 35 D 7.82 4.50 0.00 2.83 2.78 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 36 A 8.14 4.70 1.57 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 37 T 8.40 5.06 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 1.26 0.00 0.00 38 V 8.56 4.74 1.72 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 0.61 0.00 0.00 0.72 0.00 0.00 39 E 9.24 4.68 0.00 1.92 1.73 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 2.10 2.15 0.00 40 D 8.13 4.99 0.00 2.61 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 41 P 0.00 4.66 0.00 1.36 0.49 0.00 3.69 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 1.81 1.31 0.00 42 F 8.60 4.07 0.00 2.43 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.30 4.20 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 45 P 0.00 4.27 0.00 2.14 1.95 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 46 P 0.00 4.75 0.00 2.04 2.02 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 47 I 8.36 4.49 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.45 0.77 0.00 0.00 48 H 8.76 5.13 0.00 3.03 3.13 0.00 5.97 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.96 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 50 R 8.40 3.91 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 51 E 8.13 3.90 0.00 2.04 1.96 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 2.40 2.42 0.00 52 Q 8.03 4.08 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 53 I 7.92 3.73 1.91 0.00 0.00 0.46 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 0.80 0.73 0.00 0.00 54 A 8.69 4.15 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 55 A 8.11 3.95 1.43 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 0.00 0.00 0.00 56 F 8.36 4.04 0.00 3.03 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 57 Y 8.20 3.74 0.00 3.14 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 58 R 8.16 3.95 0.00 2.00 1.97 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 59 Q 7.92 4.13 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 60 G 7.71 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 61 L 7.61 4.52 0.00 1.72 1.57 1.04 0.87 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 *65 K 8.21 4.09 0.00 1.74 1.80 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 7.72 4.86 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 0.88 0.00 0.00 0.90 0.00 0.00 67 R 8.91 4.94 0.00 2.09 1.95 0.00 2.77 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 68 A 8.90 5.50 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 69 C 8.91 4.84 0.00 3.01 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 70 L 8.71 4.78 0.00 1.60 1.71 0.95 1.01 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 71 T 8.46 4.46 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 1.32 0.00 0.00 72 G 7.32 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 73 P 0.00 4.43 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.13 4.03 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 0.83 0.00 0.00 0.97 0.00 0.00 75 R 9.18 4.58 0.00 1.97 1.83 0.00 3.24 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 76 A 8.54 5.21 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 77 S 8.45 4.66 0.00 3.86 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 H 8.79 4.78 0.00 3.18 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.68 4.89 0.00 2.87 2.90 0.00 0.00 6.93 6.88 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 80 G 8.44 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 81 C 7.86 5.47 0.00 2.88 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 82 G 8.95 4.67 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 0.00 0.00 0.00 83 A 9.30 5.48 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 84 M 9.10 5.24 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 85 P 0.00 5.42 0.00 2.18 2.25 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 86 F 8.84 5.50 0.00 3.35 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 87 R 9.15 5.00 0.00 2.01 1.80 0.00 3.04 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 88 V 8.68 4.94 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 0.99 0.00 0.00 1.13 0.00 0.00 89 E 9.37 5.19 0.00 1.89 1.82 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 2.22 2.23 0.00 90 M 9.03 5.09 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 91 V 8.29 4.46 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 0.90 0.00 0.00 0.95 0.00 0.00 92 W 9.42 4.64 0.00 3.32 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 93 N 9.86 4.24 0.00 2.50 2.67 0.00 0.00 7.22 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 94 G 8.22 4.29 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 0.00 95 Q 7.47 4.25 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 96 P 0.00 4.95 0.00 2.24 2.06 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 97 C 9.07 5.29 0.00 3.18 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 98 A 9.08 5.24 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 99 L 8.72 4.94 0.00 1.47 1.20 0.76 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.69 5.03 0.00 2.60 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 0.00 101 V 8.35 4.72 0.76 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 1.18 0.00 0.00 0.52 0.00 0.00 102 I 8.52 5.07 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.96 0.00 0.00 103 D 9.15 5.58 0.00 3.01 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 0.00 104 V 9.06 4.95 2.24 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 1.11 0.00 0.00 1.01 0.00 0.00 105 M 9.10 5.18 0.00 1.29 1.69 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.14 0.00 106 R 8.51 5.05 0.00 1.83 1.68 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 107 F 9.50 5.14 0.00 2.86 2.96 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 0.00 108 D 8.94 4.98 0.00 2.78 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 0.00 109 E 8.84 4.06 0.00 2.04 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 0.00 1.93 2.15 0.00 110 H 8.72 4.84 0.00 3.29 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.84 3.92 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 0.00 0.00 0.00 112 R 7.93 4.80 0.00 2.22 2.02 0.00 3.30 0.00 0.00 3.38 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 113 I 8.18 3.54 0.98 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.28 0.47 0.00 0.00 114 Q 9.20 4.13 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 115 T 7.42 4.98 4.24 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 1.18 0.00 0.00 116 M 8.91 5.26 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 117 Q 9.33 5.07 0.00 1.99 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 118 A 9.01 5.41 1.60 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 0.00 119 Y 9.29 4.86 0.00 3.07 2.93 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 0.00 120 W 8.27 4.84 0.00 3.38 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 0.00 121 S 8.29 4.17 0.00 3.84 3.87 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 0.00 122 E 8.86 4.16 0.00 2.16 2.14 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 2.47 2.50 0.00 123 V 7.48 3.83 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 0.69 0.00 0.00 0.99 0.00 0.00 124 N 8.47 4.94 0.00 3.03 3.02 0.00 0.00 6.36 6.27 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 0.00 125 L 7.77 5.11 0.00 1.87 1.69 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.20 4.73 0.00 3.77 3.76 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 0.00 127 V 8.38 4.08 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 0.86 0.00 0.00 1.14 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.