NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4104 8.3044 120.3270 54.5946 33.4434 174.7267 2 E 3.7402 8.3883 121.4341 55.3099 30.1895 175.0800 3 A 4.0439 9.2954 129.5300 52.3823 19.8158 176.9224 4 L 3.9784 8.6869 123.8319 56.9928 41.7715 178.7471 5 G 4.0042 9.7009 103.7707 44.8004 0.0000 172.4297 6 A 4.7965 7.2188 118.9750 50.6183 22.6106 175.4542 7 D 4.7703 9.2105 120.4675 53.4605 42.5370 176.0588 8 V 4.6180 8.3989 121.7363 61.5560 34.7336 175.5476 9 T 4.4617 8.0953 122.1783 60.9106 68.5885 172.1041 10 Q 3.6855 7.8868 121.5021 54.5657 28.9163 177.8574 11 G 4.0866 8.8126 109.1315 46.0287 0.0000 172.7722 12 L 5.0495 8.6631 120.6704 52.9224 45.8239 175.0125 13 E 5.0854 9.4681 120.2290 53.9309 34.3981 175.2300 14 K 4.0543 8.1218 122.7430 57.9735 32.3911 177.1702 15 G 3.9746 9.1656 115.4271 45.0046 0.0000 173.8035 16 S 4.3063 7.9886 116.6512 58.6571 64.1363 173.1031 17 L 5.1441 8.4064 123.2586 53.2432 43.3708 175.6455 18 I 4.7362 8.9327 116.6282 59.4989 41.9952 173.9263 19 T 4.4361 8.6225 118.4151 63.1238 69.9626 174.5080 20 C 4.7792 8.4247 126.8475 57.4470 30.6800 173.5076 21 A 4.5476 8.2931 130.6326 49.6962 15.8520 174.9909 22 D 5.2869 7.7645 119.8503 53.2169 42.3564 175.6316 23 N 4.9154 8.3735 113.8343 52.8513 37.5776 177.1671 24 T 3.5714 7.9888 111.7070 63.9873 69.0424 174.9968 25 G 3.9678 7.8075 109.7126 45.1214 0.0000 173.0687 26 A 4.5888 7.3308 122.8852 51.6882 19.7820 176.6979 27 R 4.3480 9.0772 122.9311 57.7477 31.7432 175.7335 28 E 5.0668 7.8856 119.3185 54.3407 32.2642 173.8693 29 L 5.1384 8.7507 126.1988 52.7506 45.2622 175.1240 30 K 4.9398 8.5923 124.0024 54.2591 34.9266 175.3602 31 V 3.9507 8.8105 128.5694 63.5361 32.0298 175.6884 32 I 4.2603 8.7897 127.8820 62.6762 39.4783 175.8624 33 S 4.6956 7.7968 115.1867 57.0087 68.2286 173.4077 34 V 4.5775 8.1883 120.6463 61.0992 33.6746 174.1836 35 H 4.0947 8.9294 127.8853 58.0679 29.9724 174.8469 36 G 3.8828 8.6002 112.8871 46.3336 0.0000 172.1925 37 Y 4.6059 7.7459 120.4084 55.7264 40.3092 174.6725 38 S 4.3264 7.0319 119.2401 56.5025 66.0112 173.3278 39 G 4.2168 8.1043 124.2139 45.1922 0.0000 173.0508 40 T 4.5185 8.2092 117.1962 59.9139 70.3208 172.6027 41 K 3.9085 8.5095 125.8859 58.5078 32.2075 176.6313 42 N 4.4641 8.9643 121.5728 53.3885 36.3866 173.8334 43 R 4.2871 7.8322 119.1596 55.1199 31.0536 175.5831 44 H 4.4769 8.7213 122.8167 54.5656 28.4530 173.0786 45 P 4.1936 0.0000 0.0000 63.1879 31.5326 175.2727 46 K 4.7276 7.9229 123.2844 55.4289 34.6615 175.6291 47 A 4.7998 8.9659 123.0535 50.8516 23.3864 175.0932 48 G 4.1179 9.1757 105.4222 45.5373 0.0000 172.1485 49 L 3.9787 9.1134 121.3448 56.4769 41.6039 177.0879 50 G 4.1544 9.0564 115.2091 45.0633 0.0000 172.2965 51 D 5.0432 7.9567 119.2979 52.4979 43.8362 175.3589 52 K 4.8330 8.6151 123.2576 55.2542 33.6603 175.2197 53 I 4.9989 8.4896 120.8325 59.3650 41.2681 174.4277 54 T 4.6428 8.7866 120.8939 62.6369 69.9333 174.2394 55 V 5.0454 9.3798 126.5001 60.9753 35.6513 174.0739 56 S 5.1681 8.5671 118.7497 56.4025 66.3240 173.1570 57 V 4.2875 8.3967 122.6603 63.1114 31.7897 176.3219 58 T 4.2034 8.8264 125.3833 65.1195 69.6376 175.6504 59 K 4.5630 9.0783 119.5163 53.9119 36.0295 177.4359 60 G 3.6954 8.5864 109.9422 44.7708 0.0000 172.3276 61 T 4.0279 7.5870 110.0064 61.1108 69.1741 173.3644 62 P 4.2522 0.0000 0.0000 65.9651 31.3687 178.6002 63 E 4.1149 8.0164 116.0761 59.4588 29.5123 178.8781 64 M 4.1569 8.0721 117.7981 57.7381 32.7654 177.0841 65 R 3.9177 7.3595 117.5276 56.7008 31.1289 178.2316 66 R 3.8666 8.6237 116.9164 57.3549 29.9672 177.1347 67 Q 4.1029 8.0694 117.9664 55.9324 29.9888 175.7436 68 V 4.6275 8.3645 123.3917 61.6395 32.5245 174.2892 69 L 4.9148 8.7241 127.4706 52.8932 46.1020 175.6438 70 E 4.9629 8.4570 118.4879 55.9363 32.1709 175.0866 71 A 5.0426 8.4837 122.0763 51.4316 23.6454 175.0854 72 V 4.5073 8.4514 118.1313 61.0285 35.1067 174.8104 73 V 4.1013 8.3825 127.9289 62.8115 31.3423 176.2619 74 V 3.9610 8.6445 128.6944 64.2431 33.1792 175.5230 75 R 4.3444 7.2429 117.3280 54.7761 35.0468 173.8801 76 Q 4.9025 7.8832 115.5859 55.8117 31.5561 174.4463 77 R 4.3884 9.1950 119.4833 56.7219 31.3993 177.7769 *78 K 4.3197 8.1099 120.0342 53.7170 33.6198 174.5871 79 P 4.9172 0.0000 0.0000 62.8740 32.2256 175.1965 80 I 4.6785 8.7847 115.7442 59.1933 41.1648 174.0569 81 R 5.0360 9.0955 123.6832 54.7985 32.5157 175.0405 82 R 4.7495 8.6871 124.9500 54.4293 32.0806 176.1599 83 P 4.0357 0.0000 0.0000 65.8357 31.5651 176.7667 84 D 4.6601 8.0697 115.3191 53.2046 39.6405 176.1633 85 G 4.3348 8.9388 113.9307 46.6846 0.0000 174.7115 86 T 3.8229 6.8478 116.1211 62.7049 69.2134 173.0137 87 R 5.1385 8.2447 122.9454 54.7721 32.7804 175.8187 88 V 4.4784 8.9249 121.4655 61.0233 34.5348 174.4622 89 K 5.0476 8.4949 125.8374 55.2853 35.7197 175.3575 90 F 4.7146 8.6838 120.2044 55.5273 41.1965 175.7226 91 E 4.0713 9.0161 120.8084 59.1724 29.5785 175.4108 92 D 4.7912 7.7395 115.5615 52.5246 43.0424 173.8649 93 N 5.1424 8.6868 115.0237 51.7179 40.7244 174.3771 94 A 5.1761 8.8126 124.0931 50.6213 23.5367 174.5241 95 A 5.0860 9.5234 120.9937 50.2592 23.5655 175.1453 96 V 4.5859 8.4215 118.8221 60.7602 34.5520 175.1953 97 I 4.2530 8.8147 129.0050 61.6277 38.0550 175.2913 98 V 4.8604 8.3636 125.2830 61.4262 34.7389 175.3462 99 D 4.8607 8.2410 124.6548 52.3956 41.4725 176.4490 100 E 4.0448 8.7391 117.9059 58.6962 29.8855 177.9415 101 N 4.6527 9.1496 114.6456 53.3867 39.3836 175.5135 102 E 4.1221 8.0926 116.7018 56.1655 28.0726 174.3827 103 D 5.1244 8.2052 118.6648 51.8676 41.9674 174.2231 104 P 4.7434 0.0000 0.0000 62.9929 31.9429 176.5675 105 R 3.9471 8.4693 121.8834 59.1078 30.2011 177.1105 106 G 3.9482 7.7407 105.2262 45.3716 0.0000 172.5824 107 T 4.4001 8.9761 114.7445 64.0823 69.9356 175.3496 108 E 4.7959 7.9703 119.3944 54.5063 34.1416 174.3309 109 L 4.8293 8.5278 122.7306 53.5978 43.4987 176.7734 110 K 4.2154 8.4095 123.9718 58.4182 32.1346 174.9430 111 G 3.6913 8.6248 110.6032 43.0778 0.0000 169.4729 112 P 4.9758 0.0000 0.0000 62.2398 33.0270 175.1493 113 I 4.6737 8.3998 120.1273 59.3235 41.7012 174.2878 114 A 5.0778 7.9356 125.3942 50.8896 19.6028 178.8442 115 R 3.8775 9.6968 120.4626 59.4525 29.6888 178.7872 116 E 3.9730 8.4369 117.5587 59.4201 29.9343 179.3208 117 V 3.7025 8.3577 118.1598 66.0018 31.3316 177.6576 118 A 4.1863 7.6400 119.4710 55.9893 18.0778 179.0791 119 Q 3.9854 7.7168 115.9350 59.0976 28.8169 178.7010 120 R 3.9086 7.6285 118.9501 57.7458 31.2079 177.1089 121 F 4.7305 8.1223 120.8192 55.1487 39.5328 176.1411 122 G 3.6418 8.4997 113.4087 47.5614 0.0000 173.1873 123 S 4.2976 8.0441 117.5588 60.7229 62.8009 176.6386 124 V 3.6348 7.7461 120.6066 65.5809 31.5600 177.3698 125 A 4.2861 7.9662 120.7222 54.6072 18.3041 179.9021 126 S 4.4483 8.9090 110.8205 58.6229 62.2887 175.2398 127 A 4.6026 7.6935 119.6245 51.9953 20.8274 176.9820 128 A 4.1945 8.7341 121.3186 52.2355 18.9497 178.1528 129 T 4.2229 8.5321 119.7975 65.9681 69.3873 175.1810 130 M 4.9249 7.6900 118.9027 53.6681 36.8324 174.8648 131 I 4.5677 8.3123 121.9830 59.6679 40.4441 175.4769 132 V 3.9585 9.1996 127.2447 62.9186 31.5329 175.6903 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 M 8.30 4.41 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 2 E 8.39 3.74 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 3 A 9.30 4.04 1.25 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 0.00 0.00 4 L 8.69 3.98 0.00 1.66 1.78 0.96 1.11 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 5 G 9.70 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 0.00 0.00 0.00 6 A 7.22 4.80 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 7 D 9.21 4.77 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 8 V 8.40 4.62 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 0.87 0.00 0.00 0.97 0.00 0.00 9 T 8.10 4.46 4.26 0.00 0.00 0.00 0.00 0.00 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 10 Q 7.89 3.69 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 11 G 8.81 4.09 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 0.00 0.00 0.00 12 L 8.66 5.05 0.00 1.59 1.49 0.87 0.96 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 13 E 9.47 5.09 0.00 1.79 1.80 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 2.20 2.22 0.00 14 K 8.12 4.05 0.00 1.63 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 15 G 9.17 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 16 S 7.99 4.31 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 5.14 0.00 1.50 1.57 0.96 0.81 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 18 I 8.93 4.74 2.01 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 1.33 0.71 0.88 0.00 0.00 19 T 8.62 4.44 4.47 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 1.22 0.00 0.00 20 C 8.42 4.78 0.00 2.96 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 21 A 8.29 4.55 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 22 D 7.76 5.29 0.00 2.71 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 23 N 8.37 4.92 0.00 2.87 3.04 0.00 0.00 5.68 7.22 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 24 T 7.99 3.57 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 1.25 0.00 0.00 25 G 7.81 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 26 A 7.33 4.59 1.23 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 0.00 0.00 27 R 9.08 4.35 0.00 1.76 1.95 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 7.89 5.07 0.00 2.01 1.87 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 2.26 2.45 0.00 29 L 8.75 5.14 0.00 1.57 1.48 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.59 4.94 0.00 1.79 1.61 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.81 3.95 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 0.83 0.00 0.00 0.95 0.00 0.00 32 I 8.79 4.26 2.02 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 1.22 0.95 0.91 0.00 0.00 33 S 7.80 4.70 0.00 3.73 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 34 V 8.19 4.58 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 1.00 0.00 0.00 0.81 0.00 0.00 35 H 8.93 4.09 0.00 3.24 3.35 0.00 6.14 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 36 G 8.60 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 0.00 0.00 0.00 37 Y 7.75 4.61 0.00 3.10 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 38 S 7.03 4.33 0.00 3.63 3.41 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 39 G 8.10 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 0.00 0.00 0.00 0.00 40 T 8.21 4.52 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 1.23 0.00 0.00 41 K 8.51 3.91 0.00 1.75 1.75 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.96 4.46 0.00 2.95 3.01 0.00 0.00 7.00 7.66 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 43 R 7.83 4.29 0.00 1.81 2.05 0.00 3.38 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 44 H 8.72 4.48 0.00 3.34 3.19 0.00 5.80 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.19 0.00 1.99 2.44 0.00 3.73 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 46 K 7.92 4.73 0.00 1.68 1.76 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.22 1.28 7.81 47 A 8.97 4.80 1.10 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 0.00 0.00 48 G 9.18 4.12 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 0.00 0.00 0.00 49 L 9.11 3.98 0.00 1.53 1.61 0.74 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.06 4.15 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 0.00 51 D 7.96 5.04 0.00 2.71 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 52 K 8.62 4.83 0.00 1.91 1.74 0.00 1.71 0.00 0.00 2.12 0.00 0.00 2.69 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.39 1.47 7.81 53 I 8.49 5.00 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.87 0.00 0.00 54 T 8.79 4.64 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 55 V 9.38 5.05 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 1.12 0.00 0.00 0.94 0.00 0.00 56 S 8.57 5.17 0.00 3.90 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 57 V 8.40 4.29 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 0.92 0.00 0.00 0.91 0.00 0.00 58 T 8.83 4.20 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 1.31 0.00 0.00 59 K 9.08 4.56 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.59 3.70 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 0.00 0.00 0.00 61 T 7.59 4.03 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 1.24 0.00 0.00 62 P 0.00 4.25 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 63 E 8.02 4.11 0.00 1.93 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 2.31 2.34 0.00 64 M 8.07 4.16 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 65 R 7.36 3.92 0.00 1.97 1.86 0.00 3.27 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 66 R 8.62 3.87 0.00 1.96 2.04 0.00 3.16 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 67 Q 8.07 4.10 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 68 V 8.36 4.63 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 0.84 0.00 0.00 0.97 0.00 0.00 69 L 8.72 4.91 0.00 1.56 1.50 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.46 4.96 0.00 2.04 1.80 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 2.32 2.28 0.00 71 A 8.48 5.04 1.13 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 72 V 8.45 4.51 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 0.40 0.00 0.00 -0.15 0.00 0.00 73 V 8.38 4.10 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 0.88 0.00 0.00 0.87 0.00 0.00 74 V 8.64 3.96 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 0.81 0.00 0.00 0.89 0.00 0.00 75 R 7.24 4.34 0.00 1.60 1.41 0.00 3.23 0.00 0.00 3.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.36 0.00 76 Q 7.88 4.90 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 77 R 9.19 4.39 0.00 1.83 1.91 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 *78 K 8.11 4.32 0.00 1.52 1.62 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.53 7.81 79 P 0.00 4.92 0.00 1.94 2.03 0.00 3.61 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 2.04 2.10 0.00 80 I 8.78 4.68 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.30 1.00 0.00 0.00 81 R 9.10 5.04 0.00 1.84 1.80 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 1.52 1.83 0.00 82 R 8.69 4.75 0.00 1.83 1.82 0.00 3.23 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 83 P 0.00 4.04 0.00 2.05 2.12 0.00 3.68 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 2.04 2.17 0.00 84 D 8.07 4.66 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.94 4.33 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 0.00 86 T 6.85 3.82 4.37 0.00 0.00 0.00 0.00 0.00 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 87 R 8.24 5.14 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.92 4.48 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 0.84 0.00 0.00 0.92 0.00 0.00 89 K 8.49 5.05 0.00 1.91 1.72 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.39 7.81 90 F 8.68 4.71 0.00 3.16 3.05 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 91 E 9.02 4.07 0.00 1.98 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 2.31 2.27 0.00 92 D 7.74 4.79 0.00 2.67 2.63 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 93 N 8.69 5.14 0.00 2.63 2.72 0.00 0.00 6.46 7.12 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 94 A 8.81 5.18 1.17 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 0.00 0.00 95 A 9.52 5.09 1.13 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 96 V 8.42 4.59 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 1.00 0.00 0.00 0.89 0.00 0.00 97 I 8.81 4.25 1.94 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 1.07 0.46 0.87 0.00 0.00 98 V 8.36 4.86 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 0.77 0.00 0.00 0.87 0.00 0.00 99 D 8.24 4.86 0.00 2.95 2.81 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 0.00 0.00 0.00 100 E 8.74 4.04 0.00 1.95 2.02 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 2.29 2.33 0.00 101 N 9.15 4.65 0.00 2.94 2.85 0.00 0.00 7.22 7.91 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 0.00 102 E 8.09 4.12 0.00 2.20 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 2.26 2.31 0.00 103 D 8.21 5.12 0.00 2.94 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 0.00 104 P 0.00 4.74 0.00 2.15 2.03 0.00 3.77 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 1.98 2.06 0.00 105 R 8.47 3.95 0.00 1.79 1.96 0.00 3.24 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.74 3.95 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 0.00 0.00 0.00 107 T 8.98 4.40 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 0.00 108 E 7.97 4.80 0.00 1.85 1.76 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 2.28 2.32 0.00 109 L 8.53 4.83 0.00 1.52 1.57 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.41 4.22 0.00 1.62 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.37 7.81 111 G 8.62 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 0.00 112 P 0.00 4.98 0.00 2.26 2.14 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 113 I 8.40 4.67 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 1.12 0.75 0.95 0.00 0.00 114 A 7.94 5.08 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 0.00 115 R 9.70 3.88 0.00 1.95 2.38 0.00 2.82 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 116 E 8.44 3.97 0.00 2.15 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 0.00 2.44 2.59 0.00 117 V 8.36 3.70 2.21 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 1.29 0.00 0.00 1.02 0.00 0.00 118 A 7.64 4.19 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 0.00 119 Q 7.72 3.99 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 120 R 7.63 3.91 0.00 0.91 0.66 0.00 3.24 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 121 F 8.12 4.73 0.00 3.10 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 0.00 122 G 8.50 3.64 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 0.00 0.00 0.00 123 S 8.04 4.30 0.00 4.09 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 0.00 124 V 7.75 3.63 2.38 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 0.83 0.00 0.00 0.93 0.00 0.00 125 A 7.97 4.29 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 0.00 126 S 8.91 4.45 0.00 3.95 4.11 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 0.00 0.00 0.00 127 A 7.69 4.60 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 0.00 128 A 8.73 4.19 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 0.00 129 T 8.53 4.22 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 1.22 0.00 0.00 130 M 7.69 4.92 0.00 1.94 1.92 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 2.60 2.57 0.00 131 I 8.31 4.57 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 9.20 3.96 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 0.83 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.