NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7447 8.3549 109.6973 44.9543 0.0000 174.4085 2 F 4.2326 7.4826 118.6732 54.5480 39.5229 172.7733 3 P 4.4365 0.0000 0.0000 62.8994 32.7095 175.4798 4 I 4.4603 8.1792 121.4031 59.2830 37.8657 174.1995 5 P 4.3443 0.0000 0.0000 63.0062 31.7157 175.3572 6 D 4.8542 8.4657 121.6390 51.9573 42.9146 173.1095 7 P 4.6278 0.0000 0.0000 62.9625 31.9655 176.8627 8 Y 4.6817 8.6629 121.0206 56.7775 36.6921 174.5165 9 V 4.4027 7.2663 115.4048 57.9909 35.9670 175.5705 10 W 2.5400 7.9805 131.8461 57.1711 31.2243 174.7997 11 D 4.4956 6.5220 120.7200 50.8318 41.9726 174.2278 12 P 3.7062 0.0000 0.0000 65.5673 31.3590 178.7214 13 S 4.0310 7.6845 111.4370 60.2441 62.8554 174.8211 14 F 4.3649 7.3766 118.8828 57.0047 38.8793 175.8412 15 R 4.2886 7.5857 123.0063 56.9056 29.9839 176.3202 16 T 4.1940 9.2577 114.9007 61.2603 69.8320 175.4477 17 F 3.7535 7.6832 119.6703 58.4703 36.8344 174.5555 18 Y 4.6186 7.6693 119.2867 55.9844 39.5410 176.1609 19 S 4.1260 8.8246 122.1318 61.8498 63.0672 176.6652 20 I 3.6270 7.7980 120.1795 64.1753 37.8021 177.7070 21 I 3.7318 7.7727 119.9461 64.6805 37.0945 177.9710 22 D 4.5352 8.3542 119.7469 57.5703 40.3813 178.7584 23 D 4.0413 7.7271 118.5195 57.2185 40.9855 178.3414 24 E 4.0729 8.1499 119.1619 59.6600 29.5440 179.0161 25 H 4.3489 8.7014 116.6241 58.9324 28.9024 177.9346 26 K 3.9813 7.6831 120.4996 59.5511 31.7545 179.4100 27 T 4.0139 7.7764 109.7865 64.4022 68.7322 176.9285 28 L 4.0335 7.8000 121.7365 57.6288 41.6075 179.2257 29 F 4.1832 8.3459 117.3170 60.6435 38.7732 177.0619 30 N 4.4918 8.4079 116.4762 56.4871 38.8224 177.1067 31 G 3.6889 8.1668 107.1985 48.1219 0.0000 175.8186 32 I 3.7943 8.0734 122.8702 63.5910 36.7229 178.1126 33 F 4.1597 8.7734 122.0330 62.0367 39.1773 177.0647 34 H 4.3221 8.2906 115.4178 58.6156 28.3234 177.7003 35 L 4.2012 7.7354 119.5762 57.8299 41.4813 179.1710 36 A 4.1316 7.9481 119.7756 54.5381 18.2713 179.3871 37 I 4.1808 6.8166 117.5602 62.4875 37.7420 176.0563 38 D 4.6519 8.2006 120.8550 52.6108 43.0965 175.7605 39 D 4.7470 8.4759 127.3925 52.7332 39.8547 173.9489 40 N 5.1875 7.6113 120.9080 49.8862 42.0693 175.0297 41 A 3.9457 8.3531 120.8155 55.4502 18.3670 179.4093 42 D 4.2647 7.9904 116.8355 57.7249 41.0929 178.7082 43 N 4.3653 8.0398 116.4694 56.1037 38.6188 177.1668 44 L 3.8191 7.9566 122.0969 57.7875 42.0683 179.2146 45 G 3.5711 8.3381 106.2359 47.5109 0.0000 175.3206 46 E 3.8641 8.0965 121.6804 58.9961 29.6928 178.6293 47 L 3.8793 7.6053 119.8354 58.1894 42.0721 178.8347 48 R 3.7401 8.3483 118.9368 59.2358 29.8428 178.4758 49 R 3.7967 8.1034 118.5008 59.7471 30.1305 178.2197 50 C 4.0626 7.9805 116.4672 63.0697 28.0159 176.4632 51 T 3.5775 8.2523 117.7063 66.4373 68.1994 176.8484 52 G 3.6637 8.0105 107.6954 47.7446 0.0000 175.5375 53 K 3.9484 8.2367 122.3107 59.4030 32.2950 178.2929 54 H 4.6512 8.3539 120.1772 58.8977 29.7170 177.0918 55 F 4.3806 8.2570 119.6641 60.5506 38.6561 177.4793 56 L 4.0530 8.0109 119.5281 58.3029 41.9676 178.7394 57 N 4.3284 8.5311 116.8201 56.3428 38.4034 177.0180 58 E 3.8755 8.6934 121.0980 59.3642 29.6703 178.8901 59 Q 4.2668 8.5074 118.3646 59.0345 28.8182 178.9191 60 V 3.5775 8.1063 119.4724 65.8436 29.9715 177.8882 61 L 3.8550 7.9949 120.0958 58.3406 41.9100 178.8205 62 M 4.1314 8.1995 118.9407 58.5908 31.9615 178.8520 63 Q 3.9403 8.4994 118.2089 58.5364 28.5485 178.5164 64 A 4.1002 7.7553 121.1650 54.1164 18.2958 178.2310 65 S 4.5741 7.0598 110.4841 57.5567 64.0248 174.2102 66 Q 3.2060 7.9499 117.5112 56.2742 26.5376 174.1266 67 Y 4.3072 8.2893 117.3647 58.2119 39.6279 176.5703 68 Q 3.6053 8.5653 128.0939 58.7041 29.3520 177.3548 69 F 4.8900 5.4798 115.4463 57.3756 40.0197 177.6311 70 Y 4.2349 7.6632 123.0247 61.0232 38.7154 176.5569 71 D 4.3060 8.2655 119.4939 57.4531 40.9789 178.5870 72 E 3.9907 8.1916 117.5017 59.6657 29.5693 178.4879 73 H 4.0536 8.1302 118.7048 58.8154 29.8961 177.0886 74 K 3.7457 8.2474 124.3298 60.0280 32.0721 179.3891 75 K 4.1714 7.9513 123.8230 59.8906 31.4260 180.7520 76 E 4.4064 8.0799 119.3038 59.6810 29.4257 179.0204 77 H 3.6919 8.0840 116.1808 58.9918 28.7086 177.5105 78 E 4.1445 8.6955 122.9335 60.5527 29.2768 180.3114 *79 T 3.9251 7.9970 113.9648 65.9802 68.4109 178.3429 80 F 4.1825 8.0173 123.4257 61.0112 39.1937 177.4080 81 I 3.5845 7.9626 119.5690 64.6198 36.7136 177.7937 82 H 4.0383 8.4700 118.0463 59.2251 29.8580 176.8242 83 A 4.0504 8.0049 122.5089 55.2105 18.0154 179.6688 84 L 3.8442 7.7265 116.6150 57.5911 41.7107 178.6810 85 D 4.6328 8.0013 116.5715 54.7478 41.9962 175.9860 86 N 5.0257 7.6228 116.3183 51.7529 39.4291 175.0104 87 W 4.3773 8.3431 130.1634 58.3232 31.6353 175.8765 88 K 4.1147 7.5433 124.8594 53.8688 32.6499 173.9060 89 G 3.7283 5.5023 105.8266 46.4806 0.0000 175.1219 90 D 4.5520 6.2858 123.1832 53.4271 38.8116 177.3850 91 V 4.0938 7.8430 124.6755 65.2342 32.1356 177.9048 92 K 4.1398 8.0988 118.9439 59.3887 32.0948 178.5833 93 W 4.1787 8.4888 128.0685 60.4718 30.7019 177.7921 94 A 4.0608 8.5164 120.4048 55.1842 17.7672 179.7088 95 K 3.6413 8.2033 118.4711 58.9468 32.0610 179.5924 96 S 4.1066 8.0312 113.3867 60.9746 62.3005 175.8180 97 W 3.6088 8.2018 131.4428 60.1472 30.3091 177.6628 98 L 3.7597 7.8947 120.0601 58.0915 41.5963 178.8003 99 V 3.7763 7.3509 118.2644 66.5247 31.4645 177.8191 100 N 4.4257 8.1363 115.7760 56.2097 38.3324 177.0670 101 H 3.5909 7.5817 120.0168 58.7704 29.7543 177.5107 102 I 3.7007 7.4921 121.5369 64.4424 36.8832 178.6695 103 K 2.4800 7.2112 117.3718 57.7414 31.6012 177.9402 104 T 4.3768 7.2256 107.9488 62.5222 70.5278 176.1015 105 I 3.8866 7.2678 121.9567 63.5095 37.6213 177.7589 106 D 3.8442 8.0359 119.9270 57.2692 40.8323 178.8216 107 F 4.2618 8.1886 117.9677 60.3698 38.5781 177.8126 108 K 4.2352 7.5786 117.2777 58.8101 32.0349 177.7399 109 Y 4.5328 7.6154 116.6133 55.7029 38.0667 175.2676 110 K 4.3211 7.5293 121.2107 58.5842 32.3750 177.3067 111 G 4.0364 9.0757 111.5891 45.8045 0.0000 173.7831 112 K 4.6312 8.5123 117.7569 55.9031 33.6681 176.3677 113 I 4.1312 7.6623 117.2555 60.8888 37.6170 175.0197 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 G 8.35 3.74 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 0.00 0.00 0.00 2 F 7.48 4.23 0.00 3.13 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 3 P 0.00 4.44 0.00 2.24 2.10 0.00 3.91 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 2.04 2.02 0.00 4 I 8.18 4.46 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 1.17 0.00 0.00 5 P 0.00 4.34 0.00 2.12 1.95 0.00 3.84 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 6 D 8.47 4.85 0.00 2.67 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 7 P 0.00 4.63 0.00 2.46 2.28 0.00 3.88 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 2.03 0.00 8 Y 8.66 4.68 0.00 3.15 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 V 7.27 4.40 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 0.66 0.00 0.00 0.89 0.00 0.00 10 W 7.98 2.54 0.00 2.61 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 11 D 6.52 4.50 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.71 0.00 2.04 2.09 0.00 3.39 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 2.08 2.14 0.00 13 S 7.68 4.03 0.00 3.69 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 14 F 7.38 4.36 0.00 2.28 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 15 R 7.59 4.29 0.00 1.76 1.50 0.00 2.77 0.00 0.00 2.82 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.48 0.00 16 T 9.26 4.19 4.80 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 1.71 0.00 0.00 17 F 7.68 3.75 0.00 3.01 3.07 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 18 Y 7.67 4.62 0.00 3.04 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 19 S 8.82 4.13 0.00 3.89 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 20 I 7.80 3.63 1.89 0.00 0.00 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 1.65 1.35 0.95 0.00 0.00 21 I 7.77 3.73 2.20 0.00 0.00 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 1.66 0.63 1.03 0.00 0.00 22 D 8.35 4.54 0.00 2.62 2.59 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 23 D 7.73 4.04 0.00 2.72 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 24 E 8.15 4.07 0.00 2.14 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 2.60 0.00 25 H 8.70 4.35 0.00 3.44 3.74 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.68 3.98 0.00 1.71 1.63 0.00 1.15 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.34 0.56 7.81 27 T 7.78 4.01 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 28 L 7.80 4.03 0.00 1.86 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.35 4.18 0.00 3.20 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 30 N 8.41 4.49 0.00 2.90 3.00 0.00 0.00 7.13 7.34 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 31 G 8.17 3.69 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 0.00 0.00 0.00 32 I 8.07 3.79 2.09 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 1.46 1.08 0.63 0.00 0.00 33 F 8.77 4.16 0.00 3.61 3.28 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 34 H 8.29 4.32 0.00 3.34 3.42 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.74 4.20 0.00 1.90 1.75 0.33 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.95 4.13 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 37 I 6.82 4.18 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.41 0.90 0.00 0.00 38 D 8.20 4.65 0.00 2.59 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 39 D 8.48 4.75 0.00 2.83 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 40 N 7.61 5.19 0.00 2.95 2.92 0.00 0.00 5.99 7.73 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 41 A 8.35 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 42 D 7.99 4.26 0.00 2.76 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 43 N 8.04 4.37 0.00 2.79 2.86 0.00 0.00 6.73 6.74 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 44 L 7.96 3.82 0.00 1.57 1.70 0.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.34 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 46 E 8.10 3.86 0.00 2.20 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 2.31 2.35 0.00 47 L 7.61 3.88 0.00 1.73 1.62 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.35 3.74 0.00 1.83 1.98 0.00 3.08 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 49 R 8.10 3.80 0.00 1.94 2.01 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 50 C 7.98 4.06 0.00 2.99 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 51 T 8.25 3.58 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 0.68 0.00 0.00 52 G 8.01 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 53 K 8.24 3.95 0.00 1.82 1.92 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 54 H 8.35 4.65 0.00 3.30 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.26 4.38 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 56 L 8.01 4.05 0.00 1.97 1.86 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.53 4.33 0.00 3.08 2.87 0.00 0.00 6.71 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 58 E 8.69 3.88 0.00 2.15 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 0.00 2.22 2.41 0.00 59 Q 8.51 4.27 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 60 V 8.11 3.58 2.23 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 0.97 0.00 0.00 0.99 0.00 0.00 61 L 7.99 3.85 0.00 1.66 1.56 0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.20 4.13 0.00 2.47 2.48 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.19 0.00 63 Q 8.50 3.94 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.45 2.12 0.00 64 A 7.76 4.10 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 65 S 7.06 4.57 0.00 3.86 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 66 Q 7.95 3.21 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 67 Y 8.29 4.31 0.00 2.98 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 68 Q 8.57 3.61 0.00 1.58 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.33 0.00 0.00 0.00 0.00 0.00 1.16 1.87 0.00 69 F 5.48 4.89 0.00 2.88 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 70 Y 7.66 4.23 0.00 3.23 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 71 D 8.27 4.31 0.00 2.78 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 72 E 8.19 3.99 0.00 2.24 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 0.00 2.46 2.70 0.00 73 H 8.13 4.05 0.00 3.61 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.25 3.75 0.00 1.24 1.69 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.37 7.81 75 K 7.95 4.17 0.00 1.83 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.36 7.81 76 E 8.08 4.41 0.00 2.24 2.31 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 2.57 2.49 0.00 77 H 8.08 3.69 0.00 3.26 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.70 4.14 0.00 2.22 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 2.40 2.57 0.00 *79 T 8.00 3.93 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 1.21 0.00 0.00 80 F 8.02 4.18 0.00 1.51 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 81 I 7.96 3.58 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.05 0.94 0.00 0.00 82 H 8.47 4.04 0.00 3.21 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.00 4.05 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 84 L 7.73 3.84 0.00 1.50 1.49 0.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.00 4.63 0.00 2.62 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 86 N 7.62 5.03 0.00 2.57 2.62 0.00 0.00 6.88 9.02 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 87 W 8.34 4.38 0.00 3.41 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 88 K 7.54 4.11 0.00 1.77 1.62 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 0.96 7.81 89 G 5.50 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 90 D 6.29 4.55 0.00 2.44 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 91 V 7.84 4.09 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 0.76 0.00 0.00 0.93 0.00 0.00 92 K 8.10 4.14 0.00 1.86 2.08 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.54 7.81 93 W 8.49 4.18 0.00 3.61 3.48 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 0.00 0.00 0.00 0.00 94 A 8.52 4.06 1.84 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 0.00 0.00 95 K 8.20 3.64 0.00 1.89 1.63 0.00 1.50 0.00 0.00 1.40 0.00 0.00 2.51 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.00 7.81 96 S 8.03 4.11 0.00 3.93 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 97 W 8.20 3.61 0.00 2.21 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 98 L 7.89 3.76 0.00 1.64 1.46 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.35 3.78 2.20 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 1.25 0.00 0.00 1.25 0.00 0.00 100 N 8.14 4.43 0.00 2.64 2.71 0.00 0.00 6.73 7.69 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 0.00 101 H 7.58 3.59 0.00 1.40 2.63 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.49 3.70 1.91 0.00 0.00 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 1.55 0.74 1.02 0.00 0.00 103 K 7.21 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.40 7.81 104 T 7.23 4.38 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 1.40 0.00 0.00 105 I 7.27 3.89 1.42 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.46 0.00 0.00 106 D 8.04 3.84 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.19 4.26 0.00 2.98 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 0.00 108 K 7.58 4.24 0.00 2.04 2.10 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.56 7.81 109 Y 7.62 4.53 0.00 2.49 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 0.00 0.00 0.00 0.00 110 K 7.53 4.32 0.00 1.97 1.89 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.73 1.47 7.81 111 G 9.08 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 0.00 112 K 8.51 4.63 0.00 2.03 2.08 0.00 2.10 0.00 0.00 2.06 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.71 7.81 113 I 7.66 4.13 1.69 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.29 0.61 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.