NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.6317 8.4104 110.3347 62.2969 69.6430 171.0718 4 A 3.5643 8.0312 126.3476 53.0595 16.9471 178.2197 5 Y 4.3389 8.0168 115.1562 59.5567 39.8035 175.7623 6 D 4.5715 8.0288 120.4087 56.8986 41.7439 178.7972 7 V 3.5811 7.7379 119.1569 65.0018 31.6942 175.2081 8 I 4.3725 7.5033 120.4806 59.9359 36.9852 175.3719 9 L 4.2338 9.1030 126.5139 56.3866 41.9672 177.1973 10 A 4.6947 7.8209 118.5227 51.1877 21.9382 172.8534 11 P 4.8307 0.0000 0.0000 61.8600 34.7364 178.7316 12 V 2.0000 9.3530 109.4248 59.3687 32.4456 176.1179 13 L 3.9054 8.5261 119.9423 56.5333 39.5477 173.6749 14 S 4.5978 6.8445 112.8950 56.0013 64.2119 174.2845 15 E 4.3087 8.9374 127.5363 59.6239 28.8435 179.2532 16 K 3.8716 7.9421 118.6382 59.4643 32.4979 178.2652 17 A 3.8722 8.1713 121.3697 54.9708 18.3699 178.8357 18 Y 2.8271 6.8618 113.3915 60.8512 37.8094 178.8712 19 A 4.2017 7.4708 117.1493 53.4618 18.6925 178.3636 20 G 3.9011 8.7155 106.5941 45.5734 0.0000 175.8008 21 F 3.4827 8.3082 119.2753 60.6228 39.1953 176.4717 22 A 4.2359 8.2878 121.3250 55.5566 18.8870 177.9964 23 E 4.5060 7.6672 122.4411 56.9784 28.5445 178.5560 24 G 4.0440 8.4447 111.5326 46.4369 0.0000 173.5341 25 K 4.4044 7.8056 119.3591 56.3841 32.0897 175.7755 26 Y 4.3071 8.3768 123.4165 56.0676 39.7716 175.4158 27 T 4.4524 7.9318 114.6628 59.9864 71.6108 173.5453 28 F 4.9340 8.7225 121.7408 55.1910 43.8508 174.2202 29 W 5.0540 9.7867 123.3711 57.0389 29.9086 175.8201 30 V 5.0066 9.0710 123.3644 59.8177 34.5907 174.0921 31 H 4.0845 8.7479 121.5654 56.1581 29.8591 173.8958 32 P 4.0760 0.0000 0.0000 65.3561 31.0158 177.1280 33 K 4.1670 8.0541 116.0403 56.8913 32.6824 176.5813 34 A 4.2006 8.0040 122.3131 52.7479 18.6579 175.7771 35 T 4.6395 7.8400 105.4257 59.5559 71.4150 174.5382 36 K 4.1819 8.6033 120.1598 58.2978 32.2599 178.2184 37 T 4.3890 7.5035 115.6368 64.8461 70.2111 175.7687 38 E 3.8495 7.7280 120.3441 59.5209 29.4760 178.3971 39 I 3.5673 8.0666 120.0116 65.4360 36.5934 177.5149 40 K 3.5924 8.2658 116.3644 60.2256 31.8989 177.5607 41 N 4.0409 8.3514 114.7118 56.8461 38.8096 176.8235 42 A 3.7322 8.2518 121.6014 55.5334 18.7181 179.5559 43 V 3.1382 8.9784 116.3448 65.7615 31.5636 177.6515 44 E 3.8593 9.3578 118.7223 59.9787 29.3273 179.7587 45 T 3.9361 8.1896 106.8145 63.4897 68.9711 175.4876 46 A 4.2692 7.1497 122.9442 52.8508 19.5216 177.6541 47 F 4.9204 7.1599 112.3598 56.3739 40.2465 176.0251 48 K 3.9419 7.5875 117.6546 57.6154 29.6799 173.6593 49 V 4.4181 7.0266 111.0297 59.9956 35.5433 174.3351 50 K 5.3405 8.6374 120.8656 54.6832 35.3923 176.7559 51 V 4.5464 8.6784 127.2440 62.5785 32.2581 174.7777 52 V 4.2257 8.6872 127.0601 64.0482 32.7612 175.5574 53 K 4.7664 7.9406 120.4566 54.3918 35.8468 174.2945 54 V 4.7810 8.3820 124.3385 61.1521 34.4601 174.2288 55 N 5.1862 9.0745 124.6896 51.6907 41.7184 173.6060 56 T 5.2816 8.2100 113.3255 59.9645 72.4170 173.3822 57 L 4.3496 8.1862 118.0961 55.1613 44.1227 173.6138 58 H 4.5251 9.2416 121.7586 55.9361 29.6576 175.1882 59 V 4.3013 8.8200 123.6605 60.6684 33.0054 174.4233 60 R 4.1489 8.8480 128.0458 56.7106 30.3469 176.3204 61 G 4.0230 8.8426 111.8256 45.8363 0.0000 172.3196 62 K 4.6879 8.4529 122.3453 54.4085 33.9237 175.1241 63 K 4.7753 8.6187 127.4226 56.3220 34.1264 176.3258 64 K 4.7124 8.9304 123.3767 55.3731 35.8568 174.9996 65 R 5.0918 8.1468 113.5867 56.0064 32.1653 174.5654 66 L 4.6485 8.5419 120.3280 51.6725 41.8789 174.3934 67 G 4.4329 9.7020 113.4427 44.8995 0.0000 171.9332 68 R 4.2770 7.3116 112.4672 55.7803 32.4831 173.5626 69 Y 4.3009 7.6520 118.5816 56.8480 38.6015 174.5540 70 L 4.5214 8.4781 128.1761 53.6949 40.9432 174.9438 71 G 4.3810 8.7343 112.5476 43.8229 0.0000 168.8316 72 K 5.1121 8.4493 117.5392 54.5184 35.8561 176.3823 73 R 4.6198 8.4319 120.8675 54.0762 32.0541 174.5940 74 P 4.4598 0.0000 0.0000 63.4061 31.8655 175.5360 75 D 4.6740 8.5853 121.5780 54.5838 41.8929 175.6697 76 R 4.8912 8.8271 121.3794 54.4903 34.5394 174.0015 77 K 5.0672 8.4861 119.0878 55.3597 35.8779 175.2397 78 K 5.3189 9.0245 125.1581 55.1947 36.2870 174.9326 79 A 5.1849 9.1171 123.6205 50.6678 23.0879 175.7319 80 I 4.8166 9.0243 120.0455 60.4176 39.6214 174.3130 81 V 4.6020 8.4915 122.3091 60.5220 33.9072 174.7851 82 Q 4.6956 9.4417 124.7219 54.7547 31.5210 174.6497 83 V 4.9219 8.2045 116.4520 59.0205 34.7622 175.4325 84 A 4.1368 9.1550 126.3064 51.9710 19.1399 175.2023 85 P 4.1037 0.0000 0.0000 64.1864 31.9195 175.1646 86 G 4.0838 9.0884 108.8710 45.9101 0.0000 173.8536 87 Q 4.4407 7.3550 117.6177 54.8713 30.0985 174.5698 88 K 4.3727 7.8741 115.3739 56.6640 34.5367 174.7472 89 I 3.9783 7.1316 121.6946 59.5267 37.5506 176.9286 90 E 3.8785 8.5724 126.0312 59.0815 29.8080 178.4401 91 A 4.0830 7.7788 120.7045 55.1927 18.5881 178.6284 92 L 4.2243 7.5679 115.3512 57.8012 41.9304 178.7644 93 E 4.5454 7.6093 119.9849 56.4412 29.2396 177.9517 94 G 3.8464 10.5849 108.4095 47.3401 0.0000 174.1762 *95 L 4.1219 7.7319 124.7789 53.5968 41.6291 178.8523 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 3 T 8.41 4.63 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 1.20 0.00 0.00 4 A 8.03 3.56 1.07 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 5 Y 8.02 4.34 0.00 2.96 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 6 D 8.03 4.57 0.00 2.73 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 7 V 7.74 3.58 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 0.96 0.00 0.00 0.91 0.00 0.00 8 I 7.50 4.37 1.76 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.53 0.72 0.00 0.00 9 L 9.10 4.23 0.00 1.90 1.85 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.82 4.69 1.53 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 0.00 0.00 11 P 0.00 4.83 0.00 2.16 2.25 0.00 3.94 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 2.08 0.00 12 V 9.35 2.00 1.68 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 0.50 0.00 0.00 0.90 0.00 0.00 13 L 8.53 3.91 0.00 1.87 1.92 1.06 1.06 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 14 S 6.84 4.60 0.00 3.68 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.94 4.31 0.00 2.16 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 2.40 2.48 0.00 16 K 7.94 3.87 0.00 1.74 1.72 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 17 A 8.17 3.87 0.92 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 18 Y 6.86 2.83 0.00 2.75 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 19 A 7.47 4.20 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 20 G 8.72 3.90 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 0.00 0.00 0.00 21 F 8.31 3.48 0.00 2.92 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 22 A 8.29 4.24 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 23 E 7.67 4.51 0.00 1.92 1.70 0.00 0.00 0.00 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 2.28 0.00 24 G 8.44 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 25 K 7.81 4.40 0.00 1.55 1.72 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.27 7.81 26 Y 8.38 4.31 0.00 2.72 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 0.00 0.00 0.00 0.00 27 T 7.93 4.45 4.18 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 1.01 0.00 0.00 28 F 8.72 4.93 0.00 3.08 3.24 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 29 W 9.79 5.05 0.00 3.21 3.03 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 0.00 0.00 0.00 30 V 9.07 5.01 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 0.85 0.00 0.00 1.04 0.00 0.00 31 H 8.75 4.08 0.00 3.29 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.08 0.00 2.35 2.30 0.00 3.90 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 2.16 2.07 0.00 33 K 8.05 4.17 0.00 1.44 1.82 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.43 7.81 34 A 8.00 4.20 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 4.64 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 1.20 0.00 0.00 36 K 8.60 4.18 0.00 1.75 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.48 7.81 37 T 7.50 4.39 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 38 E 7.73 3.85 0.00 2.02 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 2.27 2.31 0.00 39 I 8.07 3.57 1.95 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 1.56 0.98 0.94 0.00 0.00 40 K 8.27 3.59 0.00 1.94 1.90 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.57 7.81 41 N 8.35 4.04 0.00 2.91 2.77 0.00 0.00 7.06 6.81 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 42 A 8.25 3.73 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 43 V 8.98 3.14 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 1.02 0.00 0.00 0.83 0.00 0.00 44 E 9.36 3.86 0.00 2.11 1.95 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 2.30 2.35 0.00 45 T 8.19 3.94 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 1.10 0.00 0.00 46 A 7.15 4.27 0.63 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 47 F 7.16 4.92 0.00 2.95 2.84 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 0.00 0.00 0.00 0.00 48 K 7.59 3.94 0.00 1.81 1.78 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.43 7.81 49 V 7.03 4.42 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 0.80 0.00 0.00 0.98 0.00 0.00 50 K 8.64 5.34 0.00 1.79 1.78 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.20 7.81 51 V 8.68 4.55 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 0.86 0.00 0.00 0.97 0.00 0.00 52 V 8.69 4.23 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 0.80 0.00 0.00 0.95 0.00 0.00 53 K 7.94 4.77 0.00 1.84 1.59 0.00 1.72 0.00 0.00 1.92 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.40 7.81 54 V 8.38 4.78 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 0.91 0.00 0.00 1.01 0.00 0.00 55 N 9.07 5.19 0.00 2.88 2.66 0.00 0.00 6.17 7.09 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 56 T 8.21 5.28 4.25 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 1.24 0.00 0.00 57 L 8.19 4.35 0.00 1.71 1.78 0.98 1.18 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 58 H 9.24 4.53 0.00 3.12 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.82 4.30 2.27 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 1.09 0.00 0.00 1.08 0.00 0.00 60 R 8.85 4.15 0.00 1.87 1.86 0.00 3.30 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 61 G 8.84 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 62 K 8.45 4.69 0.00 1.83 1.68 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.62 4.78 0.00 1.93 1.80 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 64 K 8.93 4.71 0.00 1.77 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.34 7.81 65 R 8.15 5.09 0.00 2.02 1.86 0.00 2.98 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 66 L 8.54 4.65 0.00 1.64 1.65 0.91 1.24 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 67 G 9.70 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 0.00 0.00 0.00 0.00 68 R 7.31 4.28 0.00 1.63 1.83 0.00 2.21 0.00 0.00 2.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.88 0.00 69 Y 7.65 4.30 0.00 3.12 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 70 L 8.48 4.52 0.00 1.61 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.73 4.38 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 0.00 72 K 8.45 5.11 0.00 1.58 1.67 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 73 R 8.43 4.62 0.00 1.99 1.76 0.00 3.10 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 74 P 0.00 4.46 0.00 2.00 2.02 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 75 D 8.59 4.67 0.00 2.57 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 76 R 8.83 4.89 0.00 1.72 1.81 0.00 2.85 0.00 0.00 2.65 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.49 0.00 77 K 8.49 5.07 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.23 7.81 78 K 9.02 5.32 0.00 1.59 2.15 0.00 0.89 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.29 7.81 79 A 9.12 5.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 4.82 1.77 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 1.17 1.42 0.96 0.00 0.00 81 V 8.49 4.60 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 0.93 0.00 0.00 1.24 0.00 0.00 82 Q 9.44 4.70 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 83 V 8.20 4.92 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 0.89 0.00 0.00 1.12 0.00 0.00 84 A 9.16 4.14 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.10 0.00 2.20 2.11 0.00 3.75 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 2.01 2.03 0.00 86 G 9.09 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 87 Q 7.35 4.44 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 88 K 7.87 4.37 0.00 1.90 1.85 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.60 7.81 89 I 7.13 3.98 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.23 0.14 0.00 0.00 90 E 8.57 3.88 0.00 1.89 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 2.25 2.22 0.00 91 A 7.78 4.08 1.06 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 0.00 0.00 92 L 7.57 4.22 0.00 1.37 1.42 0.75 0.98 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 93 E 7.61 4.55 0.00 1.97 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 0.00 2.68 2.50 0.00 94 G 10.58 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 7.73 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.