NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.4608 7.8833 121.4058 61.2611 39.3239 173.8581 3 I 4.7290 8.8631 127.9779 58.9088 40.0892 172.8416 4 A 5.0315 9.7253 129.6682 50.2564 22.4237 175.3488 5 I 5.1842 8.5802 121.5410 57.8855 41.6866 172.9576 6 P 4.3393 0.0000 0.0000 62.6564 32.3922 175.7358 7 V 5.0434 8.5523 116.4504 59.6671 35.3675 176.6839 8 S 4.4391 8.7961 116.9706 59.5993 63.7615 174.1404 9 E 4.7199 7.7254 118.6027 54.9471 33.1851 174.4192 10 N 4.3218 8.2459 120.3363 52.6125 38.3621 174.8560 11 R 4.6318 8.5904 128.8257 55.8282 32.5554 177.7003 12 G 3.6526 8.1624 111.1357 46.3624 0.0000 178.5300 13 K 4.0353 8.6424 122.7026 59.1927 32.5147 177.5251 14 D 4.6891 7.9158 118.3611 54.1668 41.6003 176.8696 15 S 4.3228 8.0771 117.4392 57.9377 63.9868 172.0031 16 P 4.6578 0.0000 0.0000 62.2472 32.6047 175.5329 17 I 4.2429 8.1011 124.3506 61.0739 38.4606 175.6929 18 S 4.2952 8.9081 124.4849 57.8442 63.1006 173.8149 19 E 4.0357 8.8474 127.1076 58.5975 29.7716 176.2866 20 H 5.1847 7.7736 113.5612 53.8934 31.5899 173.5290 21 F 4.5003 8.2606 125.2642 60.6993 39.9002 177.9946 22 G 3.6641 8.5033 109.4415 48.4781 0.0000 174.0366 23 R 4.2564 7.7480 115.1052 55.2456 30.4718 176.2903 24 A 3.9282 7.2877 121.8928 51.8297 18.7596 176.7168 25 P 4.1386 0.0000 0.0000 65.2589 32.6165 175.4256 26 Y 5.3437 7.5756 116.6388 56.5366 43.1410 173.8696 27 F 5.0910 9.4650 118.8619 55.7070 43.0425 174.0645 28 A 4.9613 9.0548 125.1684 50.5636 21.0550 175.7595 29 F 4.9840 9.4621 122.1881 55.8226 41.3827 174.9677 30 V 4.7846 8.9742 125.2333 61.0496 33.5949 174.6783 31 K 4.6920 8.9664 128.3204 55.7885 33.5298 176.1233 32 V 4.8993 8.3319 123.5631 61.1441 34.4173 174.6200 33 K 4.5568 9.0634 127.0339 56.2330 35.3297 175.4337 34 N 4.2760 9.4359 120.6230 54.4809 36.0236 173.5998 35 N 4.1889 8.5884 111.2655 54.1680 37.6878 173.0026 36 A 4.7655 7.8378 116.6543 49.5263 22.5539 176.6224 37 I 4.0218 8.3658 120.5477 61.7071 37.6756 176.0122 38 A 4.7038 8.9534 126.1675 52.9829 21.3961 176.1298 39 D 4.6796 7.7166 112.2513 53.3681 44.8910 174.4136 40 I 4.9682 8.3923 124.7185 59.5525 40.5457 174.5356 41 S 4.6895 9.2384 122.2075 56.5039 64.8115 172.6430 42 V 4.6889 8.5165 127.7368 61.8242 32.4377 174.7653 43 E 5.0878 9.4138 127.1715 54.2897 33.4060 175.3690 44 E 4.4404 9.1359 122.6842 56.6595 30.7650 176.1835 45 N 4.5009 8.7041 123.1171 51.9857 39.4742 174.1239 46 P 4.1166 0.0000 0.0000 65.2763 31.6345 177.8967 47 L 4.1819 7.8492 115.9464 54.8151 41.4162 177.2487 48 A 4.1842 7.6264 121.8976 53.0463 18.8046 178.6082 49 Q 4.0992 7.3104 115.0133 55.2304 29.3804 175.4154 50 D 4.3999 8.4227 120.4675 55.8768 41.6908 175.6318 51 H 4.1150 8.8486 121.9387 56.7244 26.2416 174.4857 52 V 4.4001 7.3488 117.4900 61.3568 33.9527 174.1036 53 H 4.5764 8.4358 120.4273 54.9471 30.8427 173.2350 54 G 3.9251 9.2711 107.9001 46.3637 0.0000 173.4730 55 A 3.9994 8.7413 123.3833 52.0616 16.5026 179.9299 56 V 3.7276 7.8893 121.0108 66.9567 31.6925 175.0005 57 P 4.0539 0.0000 0.0000 65.3547 30.8032 178.2995 58 N 4.3323 7.9556 115.0778 56.1127 38.3737 177.0172 59 F 4.1487 8.2341 121.8951 61.2014 39.6486 177.3342 60 V 3.5709 8.0625 117.8686 65.9086 31.3162 177.8691 61 K 4.0771 8.4911 119.6800 59.6419 31.8275 178.3088 62 E 3.8979 8.1180 118.0008 59.4590 29.4620 178.8761 63 K 3.8566 7.0601 114.8836 56.4973 31.9978 177.9818 64 G 3.8423 8.1088 108.6986 44.6730 0.0000 174.0959 65 A 4.3208 7.3254 122.0018 52.6865 18.9574 177.2838 66 E 4.6210 9.1196 121.3843 56.4490 31.9274 175.6018 67 L 4.9151 7.5255 120.5964 53.3814 46.1017 174.4685 68 V 4.7404 8.5183 124.1837 61.0568 34.6946 173.9851 69 I 4.8065 8.6118 128.2575 59.7682 39.6699 175.2054 70 V 4.1357 8.9334 119.6123 60.2369 36.2703 174.5578 71 R 4.3840 8.9450 120.8138 56.3075 29.6313 175.3444 72 G 4.5211 8.0132 104.7495 44.8632 0.0000 171.4754 73 I 4.5951 7.9374 118.3158 58.6935 40.8998 174.9123 74 G 3.9722 8.3475 112.5409 44.1267 0.0000 175.0650 75 R 3.9658 8.5005 120.4417 59.1431 30.0079 179.6658 76 R 3.8871 7.9793 117.0731 59.2783 30.0886 178.8117 77 A 3.8573 7.9266 119.9645 55.0827 18.3684 179.5008 78 I 3.7109 7.9380 118.1545 64.5309 37.1166 178.5061 79 A 4.1331 8.3750 121.6728 55.1429 17.9870 179.5439 80 A 3.8756 7.9604 118.3936 55.2681 18.6299 179.6115 81 F 4.4042 8.3148 116.5273 60.7786 38.7784 177.6762 82 E 4.0404 8.3345 116.9655 59.1912 29.4275 180.5495 83 A 4.3556 8.0689 120.3152 51.7542 18.6068 177.6981 *85 G 3.8408 8.0098 105.6819 47.7049 0.0000 173.6360 86 V 4.6405 8.0969 120.8609 60.4456 33.4175 175.4076 87 K 4.2462 8.6001 127.8610 56.2414 33.3644 176.0928 88 V 4.5692 8.2134 123.2153 61.0299 34.2220 174.5054 89 I 4.5048 8.5848 128.1404 59.5809 39.9381 175.2320 90 K 4.6827 8.7189 125.9863 54.8781 35.0344 176.1201 91 G 3.7825 8.6963 106.7363 46.5881 0.0000 174.0815 92 A 4.4532 7.9536 122.1326 51.4772 19.5459 178.0850 93 S 4.5369 8.3708 114.2558 57.6307 67.1971 174.0557 94 G 3.7806 8.4638 109.5817 44.2179 0.0000 172.9677 95 T 4.6718 8.5977 111.6685 60.3908 71.3901 175.7168 96 V 3.5331 8.2950 120.1738 66.1793 31.4176 177.3607 97 E 3.9278 8.1429 118.8041 59.4126 29.3781 178.6474 98 E 3.9673 8.0480 118.1451 59.7042 29.5702 179.9163 99 V 3.6546 8.0259 112.5333 64.2494 31.4683 178.9321 100 V 3.6814 7.9379 118.1978 66.1312 31.4347 177.9434 101 N 4.4058 8.3346 116.2411 56.1941 38.2168 177.5289 102 Q 4.2964 8.4024 121.3514 58.4856 28.8378 177.9358 103 Y 4.1275 8.1851 120.5250 60.9600 38.6761 178.3608 104 L 3.7924 8.1944 118.8223 56.9815 41.7319 178.6237 105 S 4.5690 7.8558 111.8829 57.6717 63.3302 174.8165 106 G 3.7837 7.5025 109.8216 46.3790 0.0000 174.0738 107 Q 4.1453 8.3354 125.1305 55.8908 28.7971 175.8352 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 I 7.88 4.46 2.11 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 1.04 0.00 0.00 3 I 8.86 4.73 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.74 0.80 0.00 0.00 4 A 9.73 5.03 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 I 8.58 5.18 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.89 0.92 0.00 0.00 6 P 0.00 4.34 0.00 1.92 2.04 0.00 3.92 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 7 V 8.55 5.04 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 0.83 0.00 0.00 1.04 0.00 0.00 8 S 8.80 4.44 0.00 3.99 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 9 E 7.73 4.72 0.00 1.91 1.81 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 2.25 2.32 0.00 10 N 8.25 4.32 0.00 1.56 2.39 0.00 0.00 6.81 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 11 R 8.59 4.63 0.00 1.86 1.81 0.00 3.46 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 12 G 8.16 3.65 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 0.00 0.00 0.00 13 K 8.64 4.04 0.00 1.95 2.09 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 D 7.92 4.69 0.00 2.69 2.70 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 0.00 0.00 0.00 15 S 8.08 4.32 0.00 3.75 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 16 P 0.00 4.66 0.00 2.10 2.16 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 17 I 8.10 4.24 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 1.12 0.97 0.94 0.00 0.00 18 S 8.91 4.30 0.00 3.69 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 19 E 8.85 4.04 0.00 1.98 1.83 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 2.11 2.24 0.00 20 H 7.77 5.18 0.00 3.17 3.18 0.00 5.75 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 21 F 8.26 4.50 0.00 3.53 3.12 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 0.00 0.00 0.00 0.00 22 G 8.50 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 23 R 7.75 4.26 0.00 1.75 1.88 0.00 3.16 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 24 A 7.29 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.14 0.00 1.31 2.03 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 26 Y 7.58 5.34 0.00 2.86 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 27 F 9.46 5.09 0.00 3.03 2.29 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 28 A 9.05 4.96 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 29 F 9.46 4.98 0.00 2.97 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 30 V 8.97 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 1.09 0.00 0.00 0.95 0.00 0.00 31 K 8.97 4.69 0.00 1.78 1.73 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.42 7.81 32 V 8.33 4.90 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 0.85 0.00 0.00 1.00 0.00 0.00 33 K 9.06 4.56 0.00 1.77 1.57 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 34 N 9.44 4.28 0.00 2.90 2.87 0.00 0.00 6.93 8.00 0.00 0.00 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 N 8.59 4.19 0.00 2.80 2.85 0.00 0.00 6.92 7.96 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 36 A 7.84 4.77 1.22 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 0.00 0.00 0.00 37 I 8.37 4.02 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.93 0.00 0.00 38 A 8.95 4.70 1.27 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 0.00 0.00 0.00 39 D 7.72 4.68 0.00 2.80 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 40 I 8.39 4.97 1.89 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 1.25 0.81 0.93 0.00 0.00 41 S 9.24 4.69 0.00 3.93 3.86 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 42 V 8.52 4.69 2.04 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 0.72 0.00 0.00 0.93 0.00 0.00 43 E 9.41 5.09 0.00 2.46 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 2.40 2.54 0.00 44 E 9.14 4.44 0.00 1.90 1.83 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 2.39 2.46 0.00 45 N 8.70 4.50 0.00 2.74 2.68 0.00 0.00 7.14 8.56 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 46 P 0.00 4.12 0.00 1.95 1.96 0.00 2.47 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 47 L 7.85 4.18 0.00 1.64 1.63 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.63 4.18 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 49 Q 7.31 4.10 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 50 D 8.42 4.40 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.85 4.11 0.00 3.36 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.35 4.40 2.04 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 0.76 0.00 0.00 0.91 0.00 0.00 53 H 8.44 4.58 0.00 3.22 3.21 0.00 5.74 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 54 G 9.27 3.93 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 0.00 0.00 0.00 55 A 8.74 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.73 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 0.92 0.00 0.00 57 P 0.00 4.05 0.00 1.72 0.49 0.00 3.56 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 58 N 7.96 4.33 0.00 2.99 2.87 0.00 0.00 6.79 8.13 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 59 F 8.23 4.15 0.00 3.10 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 60 V 8.06 3.57 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 1.09 0.00 0.00 0.76 0.00 0.00 61 K 8.49 4.08 0.00 2.00 1.97 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.53 7.81 62 E 8.12 3.90 0.00 1.97 1.83 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 2.31 2.50 0.00 63 K 7.06 3.86 0.00 0.85 0.74 0.00 0.97 0.00 0.00 1.19 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.63 0.21 7.81 64 G 8.11 3.84 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 0.00 65 A 7.33 4.32 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.12 4.62 0.00 1.85 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 2.23 2.37 0.00 67 L 7.53 4.92 0.00 1.54 1.23 0.71 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.52 4.74 1.52 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 1.04 0.00 0.00 0.21 0.00 0.00 69 I 8.61 4.81 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.90 0.89 0.00 0.00 70 V 8.93 4.14 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 0.80 0.00 0.00 0.99 0.00 0.00 71 R 8.94 4.38 0.00 1.89 2.03 0.00 3.13 0.00 0.00 3.31 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 72 G 8.01 4.52 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 0.00 0.00 0.00 73 I 7.94 4.60 1.88 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.89 0.00 0.00 74 G 8.35 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 75 R 8.50 3.97 0.00 1.87 2.01 0.00 3.15 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 76 R 7.98 3.89 0.00 1.86 1.98 0.00 3.14 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 77 A 7.93 3.86 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.94 3.71 2.03 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 1.44 0.72 0.98 0.00 0.00 79 A 8.38 4.13 1.39 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 0.00 0.00 0.00 80 A 7.96 3.88 1.18 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 0.00 0.00 81 F 8.31 4.40 0.00 3.19 3.13 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 82 E 8.33 4.04 0.00 2.12 2.04 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 2.37 2.65 0.00 83 A 8.07 4.36 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 *85 G 8.01 3.84 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 0.00 86 V 8.10 4.64 2.40 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 0.44 0.00 0.00 1.10 0.00 0.00 87 K 8.60 4.25 0.00 1.66 1.65 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.52 7.81 88 V 8.21 4.57 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 0.69 0.00 0.00 0.75 0.00 0.00 89 I 8.58 4.50 1.78 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 1.22 0.47 0.92 0.00 0.00 90 K 8.72 4.68 0.00 1.61 1.90 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.39 7.81 91 G 8.70 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 92 A 7.95 4.45 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 93 S 8.37 4.54 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 94 G 8.46 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 95 T 8.60 4.67 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 96 V 8.29 3.53 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 0.98 0.00 0.00 0.97 0.00 0.00 97 E 8.14 3.93 0.00 2.21 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 0.00 2.32 2.37 0.00 98 E 8.05 3.97 0.00 2.32 1.99 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 2.33 2.36 0.00 99 V 8.03 3.65 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 0.85 0.00 0.00 1.03 0.00 0.00 100 V 7.94 3.68 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 1.19 0.00 0.00 1.00 0.00 0.00 101 N 8.33 4.41 0.00 2.89 2.86 0.00 0.00 7.05 7.18 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 0.00 102 Q 8.40 4.30 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 103 Y 8.19 4.13 0.00 2.97 3.21 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 0.00 0.00 0.00 0.00 104 L 8.19 3.79 0.00 1.63 1.68 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.86 4.57 0.00 4.00 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 0.00 106 G 7.50 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 0.00 107 Q 8.34 4.15 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.