NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2834 8.3001 120.3511 55.2063 34.2034 176.4577 2 A 4.1282 7.5924 120.5811 49.4478 20.6576 175.3581 3 R 3.8666 8.0282 116.4207 55.3832 31.2417 174.4561 4 Y 3.9603 8.7752 117.7626 60.5889 38.6930 176.8719 5 G 3.7400 7.7600 105.0182 46.0896 0.0000 173.8140 6 A 4.3809 7.6853 123.3904 50.5836 17.5864 176.7255 7 T 3.8740 8.2583 111.8828 64.9254 69.1102 176.0958 8 S 3.9921 7.6157 115.6410 58.4246 62.2719 171.8321 9 T 4.2982 7.2259 120.4341 61.1694 71.9275 174.2545 10 N 4.9825 7.7451 117.4586 50.6504 42.4506 173.2557 11 P 4.4630 0.0000 0.0000 64.0219 31.5155 176.5140 12 A 4.5941 7.8273 121.1828 52.4881 19.2245 177.3780 13 K 4.9778 8.0957 116.8475 55.6312 33.9029 175.7712 14 S 5.3027 8.3007 112.3051 56.9880 66.1332 172.2070 15 A 4.8922 8.3186 123.5159 50.9030 22.7983 175.3510 16 S 4.7125 8.4706 113.5995 57.4198 67.3319 173.4983 17 A 4.7441 8.6385 122.9220 51.1635 22.8817 175.5088 18 R 4.7358 8.2856 117.8909 54.7294 34.4704 175.7512 19 G 3.9703 8.1785 110.8842 46.3641 0.0000 172.6300 20 S 3.5768 8.6931 108.7002 57.5111 64.4996 176.4881 21 Y 3.6433 7.7619 127.8812 59.2506 35.1100 169.8721 22 L 4.6193 7.4808 118.8348 53.4765 44.7543 177.4277 23 R 4.8651 7.8960 120.0800 54.6192 28.9416 176.0448 24 V 4.3087 6.6482 116.7699 60.7442 35.1866 174.1180 25 S 3.9774 8.2443 119.8281 57.3518 63.8032 173.8362 26 F 5.0778 8.9123 128.4498 60.2365 39.7748 177.9468 27 K 3.6253 8.0713 118.4524 58.7012 32.2002 177.3915 28 N 4.9922 7.9976 113.4809 53.6744 39.4245 175.9516 29 T 4.5551 7.6127 114.6754 63.7415 69.8419 176.3087 30 R 3.9511 7.5419 117.4120 58.9986 29.3146 178.6794 31 E 3.9739 7.9975 118.2787 59.4403 30.0382 178.7658 32 T 3.8649 7.5201 114.7194 66.4358 68.2569 176.6592 33 A 3.8814 7.7212 121.8659 55.0734 18.4854 179.0991 34 Q 3.9882 7.7727 115.7956 57.5793 29.1874 176.3296 35 A 4.4077 6.9505 119.8851 51.7830 19.7819 176.9088 36 I 3.6635 7.7682 119.2492 63.0520 37.2432 176.3862 37 N 4.3645 5.8126 123.6896 53.0678 40.6466 175.2471 38 G 3.4824 7.5476 110.7927 45.6750 0.0000 171.7016 39 W 4.0006 8.9843 125.2391 57.3872 28.6743 175.3432 40 E 4.5097 8.4103 121.1346 55.1509 31.9898 177.6152 41 L 4.0331 8.2964 118.8464 58.4553 41.5646 179.6994 42 T 3.8799 7.8429 112.6143 65.0469 67.2662 176.3316 43 K 3.8036 7.9878 119.8117 59.2728 31.9869 179.0683 44 A 4.3092 8.1396 121.0821 55.1516 18.4361 179.5161 45 Q 4.2668 8.1188 119.3756 59.0131 29.3723 178.6512 46 K 4.0988 8.1496 119.2253 59.0066 32.1259 178.8990 47 Y 3.8778 7.8850 120.1487 60.6343 38.6157 177.7030 48 L 4.2949 7.7232 117.9714 56.8449 42.2572 178.8192 49 E 4.1471 8.0784 119.0246 59.3603 29.5231 178.9285 50 Q 4.2779 7.9247 117.1644 58.1174 28.5969 178.6718 51 V 3.6375 7.4424 121.1761 65.2317 31.3168 177.6905 52 L 3.9353 7.2857 117.6967 58.2040 41.9969 178.5335 53 D 4.4908 7.9659 117.1694 56.7652 41.1310 176.2949 54 H 4.4356 7.7223 114.7106 56.3306 34.0069 173.7772 55 Q 4.5064 7.2685 120.4898 55.9306 28.6769 174.6245 56 R 3.9187 8.2157 121.1431 55.9440 28.9347 176.5143 57 A 3.8705 8.9452 129.8408 52.6882 18.0700 176.0914 58 I 4.7707 7.5897 116.9687 58.4938 41.0620 172.7679 59 P 4.1282 0.0000 0.0000 63.2599 31.6050 175.6757 60 F 4.7291 8.5675 120.5729 55.7869 40.2424 175.8088 61 R 4.1515 8.7494 125.8800 58.6901 30.0541 178.2051 62 R 4.5159 8.0813 113.0665 55.8668 32.1308 174.8979 63 F 4.8535 7.9032 119.7902 56.5003 37.6564 174.1506 64 N 4.7746 7.8570 118.4707 51.3453 38.2942 175.5640 65 S 3.9960 7.4479 112.8562 58.6701 63.3898 173.8314 66 S 3.8684 8.2751 118.1886 59.0593 62.6032 174.4403 67 I 3.2729 8.1754 127.6051 60.3148 38.5751 173.7247 68 G 4.1522 7.9773 115.1331 45.6486 0.0000 174.3804 69 R 4.6735 8.5143 123.7442 54.3534 32.2544 175.1784 70 T 4.8299 7.9541 110.6632 60.5886 72.8255 172.2855 71 A 4.5204 7.7951 129.4215 52.1994 24.1898 177.6997 72 Q 4.8030 8.6316 116.2385 57.3549 32.4157 175.1780 73 G 3.9410 8.5303 109.9940 43.4652 0.0000 174.0347 74 K 3.5339 9.7776 124.4934 59.2477 30.7224 175.5961 75 E 3.6953 9.0659 115.5357 58.3967 25.4854 175.4397 76 F 4.1923 8.4336 117.6750 57.7043 39.0768 176.8876 77 G 3.9392 9.3587 114.0079 45.6053 0.0000 171.8520 78 V 4.5949 7.2205 110.9430 60.9183 35.7522 175.1491 79 T 4.6850 8.2380 111.9718 64.2375 72.5165 174.6313 80 K 4.3802 8.1552 120.5264 53.3282 32.6103 175.1812 81 A 4.9339 8.1386 125.5940 50.9898 21.1153 177.4320 82 R 3.8486 8.1323 119.5150 55.3580 32.3711 177.2497 83 W 5.0524 7.6746 108.1771 56.3618 29.0313 171.6667 84 P 4.6917 0.0000 0.0000 62.6528 32.1364 176.9925 85 A 4.5834 8.5915 124.0801 51.9536 18.8493 178.3369 86 K 4.0361 7.8978 119.6884 59.6979 32.2127 178.6813 87 S 4.2386 8.1272 114.0968 60.4917 63.0149 176.6398 88 V 3.6774 7.7884 121.3314 65.8436 31.4424 177.7164 89 K 4.0409 7.8546 118.1361 59.3542 31.8424 178.6046 90 F 4.4437 7.9407 120.8205 61.4452 39.3795 177.2008 91 V 3.6421 7.6775 117.1879 65.3934 31.1369 178.0367 92 Q 4.1734 8.3112 118.3734 58.5452 28.3505 178.1311 93 G 3.7984 7.9971 104.8490 46.1060 0.0000 175.0835 94 L 4.1970 7.3544 121.5841 57.8348 42.2891 178.5782 95 L 4.0417 7.9134 119.2447 57.6640 41.3477 179.4788 96 Q 4.0335 8.0538 117.4692 59.2569 28.4249 178.1192 97 N 4.4043 8.1439 118.3254 56.1239 38.9872 176.1850 98 A 4.1829 7.9782 120.6672 53.3270 18.5484 178.1015 99 A 4.6950 7.5274 116.6919 51.7132 19.8991 176.7619 100 A 4.6279 7.4334 117.1392 51.7525 20.0546 176.5706 101 N 4.7780 8.0449 112.1622 53.0063 40.2403 175.3062 102 A 4.7125 7.1101 120.6307 49.5944 18.0501 176.0359 103 E 4.6278 7.6490 116.3559 56.0437 34.5819 175.0698 104 A 4.7537 7.8666 119.0648 52.1556 20.0965 176.9552 105 K 4.1244 8.3803 117.9567 59.9227 32.6981 178.2327 106 G 3.9087 7.7317 105.2435 44.9315 0.0000 176.4183 107 L 3.1510 8.9576 115.1935 53.8307 42.3753 177.3054 108 D 4.9725 10.2142 122.8376 54.5952 39.6364 174.0606 109 A 4.7415 8.1611 118.8818 52.4077 24.1516 177.2623 110 T 3.8697 8.4999 105.5713 61.7421 68.5636 178.0594 111 K 3.4625 9.6035 119.1108 54.9635 32.8673 178.1872 112 L 3.4393 9.5144 130.6231 56.4555 41.4918 171.7103 113 Y 4.0854 8.7021 115.0460 58.2047 39.1973 169.4729 114 V 4.0073 7.3796 126.6991 61.8670 31.1161 175.2452 115 S 4.6996 8.8240 123.1772 61.5666 62.7670 173.5775 116 H 4.9435 8.1077 116.2573 55.2137 33.5236 172.0430 117 I 4.7922 7.7955 123.0244 59.8355 41.1839 173.6563 118 Q 4.7630 8.7457 125.2643 54.7332 32.2407 173.6323 119 V 4.7532 8.4177 120.0163 60.1364 34.4751 174.3361 120 N 5.1128 9.0489 119.8113 51.5001 42.4093 173.4580 121 Q 3.2592 8.2419 122.0031 54.9733 29.0553 175.3310 122 A 4.4017 8.4518 130.3530 54.0675 20.5006 174.8274 123 P 4.9259 0.0000 0.0000 62.4456 33.1257 176.9213 124 K 4.6228 8.7645 112.2143 54.0275 34.7190 175.0364 125 Q 4.2225 8.2629 123.7305 55.9050 30.0410 175.3953 126 R 4.8006 8.3778 119.1211 54.6079 31.7789 174.8051 127 R 4.7464 8.5026 121.1803 55.1128 35.4521 173.7309 128 R 5.0944 8.4500 117.3062 55.0274 34.7564 175.0091 129 T 4.2418 8.3265 114.8753 60.1767 70.2410 172.9893 130 Y 4.0737 8.0318 126.3718 59.4511 38.3539 174.3873 131 R 4.5781 8.9195 119.9192 56.3076 34.9581 174.6124 132 A 4.5698 6.9101 116.7947 52.1995 23.1039 176.4989 133 H 4.2110 9.5722 117.9566 57.0504 26.2157 176.2739 134 G 3.9820 8.5108 105.4685 45.7077 0.0000 174.3582 135 R 4.5586 7.6450 118.8670 54.9924 31.6114 175.1440 136 I 4.8012 7.9405 120.1013 59.6323 41.3254 173.3963 137 N 5.0798 8.5161 126.2248 51.3842 41.9417 173.9638 138 K 4.5509 8.4925 121.6342 56.9206 33.3552 175.9836 139 Y 5.1603 8.6283 123.0570 56.1280 42.5690 173.4555 140 E 4.8822 8.7054 123.0328 53.3772 32.4851 175.1137 141 S 4.5083 8.1180 118.0544 56.8780 65.3432 173.1225 142 S 4.7661 8.6493 121.9130 57.1515 63.7085 172.0315 143 P 5.1386 0.0000 0.0000 61.5467 34.3474 173.5497 144 S 4.6658 8.4310 113.7348 57.9451 68.1395 173.4326 145 H 5.0936 8.6010 120.2844 54.5440 32.5315 172.2015 146 I 5.0626 8.4053 124.1035 59.4588 42.3427 173.3181 147 E 4.7803 8.6104 123.1710 54.7281 34.2432 174.3952 148 L 4.8155 8.6462 124.7361 53.7582 46.1052 175.1873 149 V 4.8080 8.0978 117.1501 60.3767 36.2794 173.6783 150 V 4.8200 8.4196 115.4313 60.4791 36.5453 174.4185 151 T 5.1486 8.2677 115.8924 61.9124 72.3775 174.1637 152 E 4.1486 8.9125 124.7536 56.6288 30.7631 177.3983 153 K 4.2518 8.0589 122.6485 56.5177 32.2872 176.0619 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 4.28 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 2 A 7.59 4.13 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 3 R 8.03 3.87 0.00 2.03 2.20 0.00 3.20 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 4 Y 8.78 3.96 0.00 2.91 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 5 G 7.76 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 6 A 7.69 4.38 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 T 8.26 3.87 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 1.21 0.00 0.00 8 S 7.62 3.99 0.00 3.75 3.68 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 0.00 0.00 0.00 0.00 9 T 7.23 4.30 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 1.07 0.00 0.00 10 N 7.75 4.98 0.00 2.76 2.62 0.00 0.00 6.69 7.71 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 11 P 0.00 4.46 0.00 2.24 2.19 0.00 3.80 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 1.99 1.97 0.00 12 A 7.83 4.59 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 13 K 8.10 4.98 0.00 1.81 1.75 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.22 7.81 14 S 8.30 5.30 0.00 4.06 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 15 A 8.32 4.89 1.26 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 0.00 0.00 0.00 16 S 8.47 4.71 0.00 3.70 3.67 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 17 A 8.64 4.74 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 18 R 8.29 4.74 0.00 1.63 1.91 0.00 3.18 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 19 G 8.18 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 20 S 8.69 3.58 0.00 3.63 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 21 Y 7.76 3.64 0.00 3.19 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 22 L 7.48 4.62 0.00 1.17 1.27 1.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.90 4.87 0.00 1.70 1.80 0.00 3.23 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 24 V 6.65 4.31 1.14 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 0.94 0.00 0.00 0.71 0.00 0.00 25 S 8.24 3.98 0.00 3.94 3.83 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 26 F 8.91 5.08 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.63 0.00 1.47 0.85 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.06 1.32 7.81 28 N 8.00 4.99 0.00 2.95 3.06 0.00 0.00 6.85 6.71 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 29 T 7.61 4.56 4.49 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 1.18 0.00 0.00 30 R 7.54 3.95 0.00 1.95 2.00 0.00 2.41 0.00 0.00 2.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 31 E 8.00 3.97 0.00 2.04 2.01 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 2.54 2.80 0.00 32 T 7.52 3.86 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 1.17 0.00 0.00 33 A 7.72 3.88 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 34 Q 7.77 3.99 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 35 A 6.95 4.41 1.09 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 36 I 7.77 3.66 1.72 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 1.44 0.50 0.87 0.00 0.00 37 N 5.81 4.36 0.00 2.22 2.34 0.00 0.00 6.64 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 38 G 7.55 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 0.00 0.00 0.00 39 W 8.98 4.00 0.00 3.25 3.30 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 40 E 8.41 4.51 0.00 2.07 1.92 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 2.39 2.51 0.00 41 L 8.30 4.03 0.00 1.70 1.73 0.93 0.55 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 42 T 7.84 3.88 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 1.19 0.00 0.00 43 K 7.99 3.80 0.00 1.97 1.38 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.08 7.81 44 A 8.14 4.31 1.47 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 0.00 0.00 45 Q 8.12 4.27 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 46 K 8.15 4.10 0.00 1.98 1.80 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 47 Y 7.88 3.88 0.00 3.27 3.30 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 48 L 7.72 4.29 0.00 1.84 1.78 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.08 4.15 0.00 2.19 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 2.33 2.51 0.00 50 Q 7.92 4.28 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 51 V 7.44 3.64 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 1.26 0.00 0.00 0.95 0.00 0.00 52 L 7.29 3.94 0.00 1.76 1.83 0.93 1.30 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 53 D 7.97 4.49 0.00 2.79 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 54 H 7.72 4.44 0.00 2.95 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.27 4.51 0.00 2.18 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.61 0.00 0.00 0.00 0.00 0.00 1.88 2.15 0.00 56 R 8.22 3.92 0.00 2.16 2.01 0.00 3.83 0.00 0.00 3.39 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 57 A 8.95 3.87 1.63 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 58 I 7.59 4.77 1.99 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 1.18 0.72 0.70 0.00 0.00 59 P 0.00 4.13 0.00 1.99 2.02 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 60 F 8.57 4.73 0.00 3.12 3.14 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 0.00 0.00 0.00 61 R 8.75 4.15 0.00 1.78 2.00 0.00 3.11 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 62 R 8.08 4.52 0.00 1.71 2.08 0.00 3.29 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 63 F 7.90 4.85 0.00 3.07 3.08 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 64 N 7.86 4.77 0.00 2.71 2.80 0.00 0.00 6.35 7.64 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 65 S 7.45 4.00 0.00 3.84 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 66 S 8.28 3.87 0.00 3.77 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 67 I 8.18 3.27 1.83 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.77 0.00 0.00 68 G 7.98 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 69 R 8.51 4.67 0.00 1.76 1.83 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 70 T 7.95 4.83 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 1.17 0.00 0.00 71 A 7.80 4.52 1.14 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 0.00 0.00 0.00 0.00 0.00 72 Q 8.63 4.80 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 73 G 8.53 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 0.00 0.00 0.00 74 K 9.78 3.53 0.00 2.04 1.79 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.58 7.81 75 E 9.07 3.70 0.00 2.23 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 0.00 2.30 2.33 0.00 76 F 8.43 4.19 0.00 2.99 3.11 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 77 G 9.36 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 0.00 0.00 0.00 78 V 7.22 4.59 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 0.85 0.00 0.00 1.08 0.00 0.00 79 T 8.24 4.68 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 1.26 0.00 0.00 80 K 8.16 4.38 0.00 1.62 1.57 0.00 1.66 0.00 0.00 2.33 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.34 7.81 81 A 8.14 4.93 1.50 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 0.00 0.00 82 R 8.13 3.85 0.00 1.58 1.22 0.00 2.70 0.00 0.00 2.85 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.69 0.00 83 W 7.67 5.05 0.00 3.38 3.27 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 84 P 0.00 4.69 0.00 2.34 2.22 0.00 4.02 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 2.17 2.22 0.00 85 A 8.59 4.58 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 86 K 7.90 4.04 0.00 1.95 1.90 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.62 7.81 87 S 8.13 4.24 0.00 4.03 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 88 V 7.79 3.68 2.33 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 1.11 0.00 0.00 1.06 0.00 0.00 89 K 7.85 4.04 0.00 1.97 1.87 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.50 7.81 90 F 7.94 4.44 0.00 2.88 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 91 V 7.68 3.64 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 0.90 0.00 0.00 0.84 0.00 0.00 92 Q 8.31 4.17 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 93 G 8.00 3.80 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 0.00 0.00 0.00 94 L 7.35 4.20 0.00 1.83 1.61 0.67 0.49 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 95 L 7.91 4.04 0.00 1.75 1.70 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.05 4.03 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 97 N 8.14 4.40 0.00 2.78 2.98 0.00 0.00 7.12 7.67 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 98 A 7.98 4.18 1.37 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 0.00 0.00 0.00 99 A 7.53 4.70 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 0.00 100 A 7.43 4.63 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 0.00 101 N 8.04 4.78 0.00 2.70 2.85 0.00 0.00 6.70 7.54 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 0.00 102 A 7.11 4.71 1.28 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 0.00 0.00 103 E 7.65 4.63 0.00 2.07 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 0.00 2.20 2.35 0.00 104 A 7.87 4.75 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 0.00 105 K 8.38 4.12 0.00 1.89 2.13 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.40 7.81 106 G 7.73 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.96 3.15 0.00 1.72 1.41 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 108 D 10.21 4.97 0.00 2.96 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 0.00 109 A 8.16 4.74 1.26 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 0.00 0.00 0.00 110 T 8.50 3.87 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 0.00 111 K 9.60 3.46 0.00 1.87 1.15 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.48 7.81 112 L 9.51 3.44 0.00 2.00 1.70 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.70 4.09 0.00 3.19 3.27 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 0.00 114 V 7.38 4.01 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 0.76 0.00 0.00 0.83 0.00 0.00 115 S 8.82 4.70 0.00 4.18 4.21 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 0.00 116 H 8.11 4.94 0.00 3.47 3.04 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.80 4.79 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.80 0.00 0.00 118 Q 8.75 4.76 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 119 V 8.42 4.75 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 0.85 0.00 0.00 1.15 0.00 0.00 120 N 9.05 5.11 0.00 2.65 2.62 0.00 0.00 6.52 7.54 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 0.00 121 Q 8.24 3.26 0.00 1.46 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 1.96 1.55 0.00 122 A 8.45 4.40 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 0.00 123 P 0.00 4.93 0.00 2.07 1.19 0.00 3.68 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 1.84 1.95 0.00 124 K 8.76 4.62 0.00 1.54 1.65 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.46 7.81 125 Q 8.26 4.22 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 126 R 8.38 4.80 0.00 1.73 1.84 0.00 2.99 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 127 R 8.50 4.75 0.00 1.55 1.92 0.00 2.97 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 128 R 8.45 5.09 0.00 1.44 1.61 0.00 3.11 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 129 T 8.33 4.24 3.98 0.00 0.00 0.00 0.00 0.00 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 0.00 130 Y 8.03 4.07 0.00 2.96 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 0.00 131 R 8.92 4.58 0.00 1.73 1.68 0.00 3.23 0.00 0.00 3.24 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 132 A 6.91 4.57 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 0.00 133 H 9.57 4.21 0.00 3.30 3.42 0.00 5.96 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 0.00 134 G 8.51 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 7.65 4.56 0.00 2.09 1.87 0.00 3.12 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 136 I 7.94 4.80 1.90 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 1.14 0.80 0.91 0.00 0.00 137 N 8.52 5.08 0.00 2.89 2.61 0.00 0.00 7.09 6.29 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 0.00 138 K 8.49 4.55 0.00 1.69 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.50 7.81 139 Y 8.63 5.16 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.71 4.88 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 141 S 8.12 4.51 0.00 3.56 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 0.00 142 S 8.65 4.77 0.00 3.78 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 0.00 143 P 0.00 5.14 0.00 2.05 1.96 0.00 3.85 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 1.95 1.89 0.00 144 S 8.43 4.67 0.00 4.21 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 0.00 145 H 8.60 5.09 0.00 2.88 2.83 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.41 5.06 1.74 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 1.15 1.37 0.55 0.00 0.00 147 E 8.61 4.78 0.00 1.84 1.67 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 2.19 2.32 0.00 148 L 8.65 4.82 0.00 1.60 1.48 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.10 4.81 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 0.39 0.00 0.00 0.14 0.00 0.00 150 V 8.42 4.82 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 0.81 0.00 0.00 1.03 0.00 0.00 151 T 8.27 5.15 4.34 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 1.30 0.00 0.00 152 E 8.91 4.15 0.00 1.98 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 0.00 2.36 2.33 0.00 153 K 8.06 4.25 0.00 1.72 1.64 0.00 1.61 0.00 0.00 1.95 0.00 0.00 2.52 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.17 1.28 7.81