NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0933 8.0244 120.7886 60.2641 39.1635 175.1151 4 K 3.9609 8.6355 128.7606 56.0727 32.7923 172.3208 5 E 4.7206 9.2119 125.1918 54.1640 32.3600 175.6349 6 L 4.3863 8.5277 123.1180 55.6305 42.9224 176.1750 7 H 4.7664 9.1476 122.1960 54.8754 31.1514 173.7184 8 V 4.5236 8.1814 126.4036 61.7472 33.0467 175.2389 9 K 4.3862 8.9279 128.3504 55.4045 34.8606 174.9436 10 T 5.3835 8.7092 124.1293 61.9171 70.5473 174.3405 11 V 4.4245 7.8046 121.9651 60.8376 35.2878 172.6169 12 K 4.7628 8.0282 119.2392 54.2049 36.0881 176.5760 13 R 4.1022 8.6552 122.2563 58.2660 30.2037 177.0975 14 G 4.0170 8.9267 110.7960 45.0617 0.0000 173.1758 15 E 4.0042 7.7471 120.6797 56.7413 30.4492 175.4383 16 N 5.1901 8.5872 122.8977 52.2761 40.6700 174.3821 17 V 4.4077 8.2435 116.1276 59.7791 35.5395 174.8848 18 T 5.4492 8.0522 118.7195 61.3297 71.8566 173.2984 19 M 4.6020 8.2752 125.5043 53.7916 34.8511 174.6971 20 E 5.3769 8.8578 119.9734 55.1220 32.8341 175.9986 21 C 5.0078 9.7343 122.1060 55.4356 47.9019 172.3451 22 S 5.1342 8.5407 119.9438 56.6827 63.1890 173.9551 23 M 3.9509 9.2596 128.2433 57.7000 31.9687 175.5491 24 S 4.1979 7.2134 113.8301 60.8587 62.6292 174.8532 25 K 4.0462 8.8349 124.5964 55.4576 29.5892 177.1560 26 V 3.6037 7.1756 118.7194 64.1255 31.7215 175.0687 27 T 4.1823 8.9146 123.4081 64.5880 69.6628 174.5132 28 N 4.8152 8.8656 122.2087 51.3008 40.5024 175.0414 29 K 3.2846 8.5034 126.0391 58.7569 32.2808 178.4788 30 N 4.9551 8.2870 114.6935 54.3268 39.1800 175.1701 31 N 4.7771 8.8924 117.2021 53.1023 38.7974 173.5421 32 L 5.1263 7.5575 120.8956 53.6599 44.3012 175.1350 33 A 5.3250 8.4787 124.5238 50.9083 23.4098 175.6857 34 W 5.0314 9.3405 121.6747 56.9073 30.9309 175.0397 35 Y 5.2012 10.0189 120.9006 56.3488 41.0727 174.5107 36 R 4.1072 8.9099 124.1709 54.6901 32.5006 174.8513 37 Q 4.4578 7.9162 126.3501 54.2374 31.8303 175.0895 38 S 3.9605 8.3228 123.7260 58.7535 63.8027 174.5048 39 F 4.8950 8.8667 119.2626 58.2458 38.0166 175.4666 40 G 4.1126 9.5168 114.7651 45.2790 0.0000 170.9082 41 K 4.6786 7.6902 118.4072 54.4898 36.0632 175.3052 42 V 4.4464 8.0241 118.1363 59.3856 33.2162 173.9025 43 P 4.5487 0.0000 0.0000 62.9394 32.0252 175.5689 44 Q 5.0060 9.1818 121.3854 53.7825 32.1869 174.5052 45 Y 4.0226 9.0374 123.0346 58.5503 39.5087 176.3799 46 F 4.5892 8.1206 125.3945 58.9514 43.0131 174.7872 47 V 4.3704 6.8206 113.7613 60.6643 33.6476 171.9080 48 R 5.4557 8.6595 119.3908 54.2676 33.1165 173.8379 49 Y 4.9163 9.1289 122.9090 58.8903 39.6843 175.3032 50 Y 4.3167 8.4374 126.6641 55.9393 42.1115 172.4676 51 S 4.0359 7.8965 125.3387 57.9120 62.2862 173.6232 52 S 4.4506 7.2575 117.6903 57.7582 65.0498 177.4532 53 N 4.5002 8.6902 118.0297 56.5585 38.1944 177.3400 54 S 4.3269 7.9130 110.8002 59.5556 63.8324 174.9681 55 G 4.4823 9.2542 108.9169 44.4154 0.0000 171.7677 56 Y 5.3489 7.0260 113.8443 55.7330 40.5460 173.4184 57 K 4.4308 8.8796 124.0766 54.4761 34.9847 175.6079 58 F 4.2829 8.8170 125.3680 56.8640 40.3085 174.9192 59 A 4.4646 8.1546 122.3168 50.7868 18.9438 178.6361 60 E 4.1434 9.4593 121.4046 59.3055 30.0729 178.9919 61 G 4.0999 7.8837 107.0751 47.8713 0.0000 173.0444 62 F 4.2980 8.4048 125.1919 55.7878 38.9264 174.4328 63 K 3.9467 7.5930 127.1766 55.3060 32.9225 176.3626 64 D 4.1474 6.9747 122.1903 53.3648 43.2911 176.2418 65 S 4.2028 8.8446 124.1022 61.3871 63.3669 175.8530 66 R 3.9144 8.4119 119.6588 59.2548 29.9800 176.8955 67 F 4.4960 7.9552 114.9247 56.2581 40.3607 175.5459 68 S 5.0074 7.5766 112.9445 59.7225 67.9964 175.6148 69 M 4.9213 7.8641 117.6935 54.9256 36.1420 174.8660 70 T 4.4607 8.9310 120.1136 62.3246 70.0706 173.8962 71 V 5.2093 8.1554 126.7493 61.4141 34.2699 174.4291 72 N 4.7402 8.9488 124.0341 52.7363 40.0741 174.4451 73 D 4.4972 8.8908 117.1638 57.3616 40.8711 177.2313 74 Q 4.3902 7.8439 116.9617 56.9145 29.5454 175.6212 75 K 4.9448 8.8867 117.5373 54.1472 35.9233 174.8930 76 F 5.5950 9.0192 122.8633 56.9834 38.2927 173.6920 77 D 5.0906 9.0892 121.8658 53.0082 43.2189 177.5210 78 L 4.2261 7.8861 122.9365 54.5529 42.7792 175.8355 79 N 5.4275 8.9674 119.9317 51.5108 42.7298 173.5542 80 I 4.0992 8.5567 121.2917 59.5710 41.4112 174.5024 81 I 4.1646 7.3157 128.3763 62.1413 37.6147 176.4411 82 G 3.9830 8.5740 117.7024 45.5103 0.0000 171.2130 83 A 4.1155 8.8181 126.7390 52.0748 19.7783 177.2236 84 R 4.8646 9.4679 116.1247 55.8672 32.1684 174.3819 85 E 2.0000 7.7476 123.9948 56.9853 29.5465 179.0804 86 D 4.4564 7.5108 115.6373 54.4887 39.3148 176.5995 87 D 4.9860 8.2331 121.2059 54.3819 40.4738 176.5019 88 G 4.3575 7.9372 105.5661 43.9464 0.0000 174.4607 89 G 3.2097 6.9205 108.3022 46.1320 0.0000 170.9927 90 E 5.0398 7.7273 118.2044 53.7930 33.9922 175.2044 91 Y 4.6835 7.6814 117.2847 56.8132 42.4944 174.3470 92 F 5.6684 9.0335 121.8605 55.9150 43.9640 173.0462 93 C 5.3069 9.0000 119.5228 55.0581 41.8752 173.0219 94 G 4.3190 9.4005 111.6002 45.0030 0.0000 170.9108 95 E 5.1427 8.4733 121.6269 54.0854 32.4324 174.6048 96 V 4.5047 8.1456 126.9238 61.8365 32.7223 175.0965 97 E 4.4943 9.2875 125.0297 56.5790 34.2813 175.1933 98 G 3.9819 9.1656 117.8176 46.6061 0.0000 176.6956 99 I 4.5380 8.4715 110.6620 56.3304 37.5838 171.8667 100 I 4.4142 6.7267 135.0000 61.8219 39.7391 172.2570 101 I 4.6459 7.8214 126.6642 58.9130 40.1791 175.2963 102 K 4.3505 8.2775 129.8879 54.6653 32.1712 175.3318 103 F 4.6244 8.2317 126.2078 58.5733 39.3902 175.0243 104 T 4.5480 9.0833 111.7085 60.4631 69.8783 173.4333 105 S 4.7507 7.4445 117.1935 58.7521 65.5893 175.7441 106 G 4.7021 7.6668 106.3387 47.0016 0.0000 172.0117 107 T 5.2015 8.8193 115.2863 61.9268 73.3959 174.1180 108 R 4.7513 8.5698 126.1627 53.9511 29.3851 172.6358 109 L 4.5678 8.1550 122.4199 55.4469 43.6818 175.3443 110 Q 5.3195 8.7450 124.0606 54.3401 31.9960 175.5790 111 F 4.8201 9.4941 120.3307 57.2353 40.4914 173.8601 112 E 3.7277 9.5059 120.3915 54.3869 30.1165 180.6498 113 G 3.9643 8.5533 114.0011 45.8461 0.0000 173.0976 114 S 4.6796 8.5473 118.8735 57.9375 65.2779 173.4652 115 N 4.5061 9.1957 118.0456 54.1596 34.0656 172.7639 116 E 4.6343 7.5013 118.6411 53.6779 34.0539 174.6094 117 G 3.8306 7.7031 108.0586 46.3233 0.0000 173.9622 118 S 4.9044 8.2244 128.4583 56.9456 62.7042 174.3230 119 K 3.9750 8.6204 117.9765 57.6081 32.2471 176.8743 120 S 4.2566 8.4136 115.3152 58.6711 60.8763 176.0726 121 S 4.5571 8.7738 127.0589 57.3765 63.1429 168.3238 122 D 4.0916 8.3330 131.4411 54.2773 37.8610 173.2988 123 G 3.6544 8.6143 109.1909 47.1235 0.0000 172.3965 124 E 3.7196 8.5282 121.3180 58.0333 29.9734 178.7340 125 G 3.6755 9.3193 114.0221 48.0643 0.0000 173.7991 126 S 3.5816 7.9412 114.6733 58.8393 62.8396 173.1521 127 S 5.5921 7.0951 122.6494 58.3039 64.4657 176.1408 128 C 4.2774 8.2446 122.1698 58.6483 29.1954 173.6647 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 I 8.02 4.09 1.88 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 1.30 1.36 0.92 0.00 0.00 4 K 8.64 3.96 0.00 1.85 1.74 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.64 7.81 5 E 9.21 4.72 0.00 2.02 1.89 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 2.25 2.27 0.00 6 L 8.53 4.39 0.00 1.61 1.72 1.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.15 4.77 0.00 3.33 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.18 4.52 2.06 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 0.87 0.00 0.00 0.95 0.00 0.00 9 K 8.93 4.39 0.00 1.81 1.57 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.37 7.81 10 T 8.71 5.38 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 1.31 0.00 0.00 11 V 7.80 4.42 1.88 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 0.38 0.00 0.00 0.55 0.00 0.00 12 K 8.03 4.76 0.00 1.50 1.87 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.34 7.81 13 R 8.66 4.10 0.00 1.86 1.96 0.00 3.37 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 1.78 1.91 0.00 14 G 8.93 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 15 E 7.75 4.00 0.00 2.03 1.65 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 2.18 2.21 0.00 16 N 8.59 5.19 0.00 2.60 2.68 0.00 0.00 6.86 7.68 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 17 V 8.24 4.41 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 0.48 0.00 0.00 0.65 0.00 0.00 18 T 8.05 5.45 4.16 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 0.00 0.00 0.00 1.24 0.00 0.00 19 M 8.28 4.60 0.00 1.85 1.25 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 20 E 8.86 5.38 0.00 1.92 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 2.22 2.27 0.00 21 C 9.73 5.01 0.00 2.98 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 22 S 8.54 5.13 0.00 3.93 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 23 M 9.26 3.95 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.66 0.00 24 S 7.21 4.20 0.00 3.88 3.89 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 25 K 8.83 4.05 0.00 1.84 2.12 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.37 7.81 26 V 7.18 3.60 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 0.51 0.00 0.00 0.80 0.00 0.00 27 T 8.91 4.18 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 1.17 0.00 0.00 28 N 8.87 4.82 0.00 2.58 2.60 0.00 0.00 7.30 7.25 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 29 K 8.50 3.28 0.00 1.67 0.74 0.00 1.52 0.00 0.00 1.14 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.08 1.22 7.81 30 N 8.29 4.96 0.00 2.74 2.93 0.00 0.00 6.97 7.32 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 31 N 8.89 4.78 0.00 2.81 2.92 0.00 0.00 6.37 5.12 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 32 L 7.56 5.13 0.00 1.58 1.14 0.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.48 5.32 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 34 W 9.34 5.03 0.00 3.36 3.36 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 35 Y 10.02 5.20 0.00 3.34 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 36 R 8.91 4.11 0.00 0.89 1.20 0.00 2.21 0.00 0.00 2.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 37 Q 7.92 4.46 0.00 2.17 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.46 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 38 S 8.32 3.96 0.00 3.71 3.75 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 39 F 8.87 4.89 0.00 3.01 2.87 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 0.00 0.00 0.00 40 G 9.52 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 0.00 0.00 0.00 41 K 7.69 4.68 0.00 1.67 1.71 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.32 7.81 42 V 8.02 4.45 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 0.96 0.00 0.00 43 P 0.00 4.55 0.00 2.17 2.26 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 44 Q 9.18 5.01 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 45 Y 9.04 4.02 0.00 2.95 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 46 F 8.12 4.59 0.00 2.94 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 47 V 6.82 4.37 1.03 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 0.34 0.00 0.00 -0.32 0.00 0.00 48 R 8.66 5.46 0.00 2.09 2.35 0.00 2.75 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 49 Y 9.13 4.92 0.00 2.56 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 50 Y 8.44 4.32 0.00 2.94 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 51 S 7.90 4.04 0.00 3.55 3.59 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 S 7.26 4.45 0.00 3.83 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 53 N 8.69 4.50 0.00 2.70 2.94 0.00 0.00 7.04 8.68 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 54 S 7.91 4.33 0.00 3.99 3.99 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 55 G 9.25 4.48 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 56 Y 7.03 5.35 0.00 2.85 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 57 K 8.88 4.43 0.00 1.12 1.29 0.00 1.28 0.00 0.00 0.98 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.22 7.81 58 F 8.82 4.28 0.00 3.12 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 59 A 8.15 4.46 0.64 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 60 E 9.46 4.14 0.00 2.02 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 2.33 2.36 0.00 61 G 7.88 4.10 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 0.00 62 F 8.40 4.30 0.00 3.01 3.18 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 63 K 7.59 3.95 0.00 1.70 1.67 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 1.24 7.81 64 D 6.97 4.15 0.00 2.30 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 0.00 0.00 0.00 65 S 8.84 4.20 0.00 3.90 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 66 R 8.41 3.91 0.00 2.01 1.84 0.00 3.13 0.00 0.00 3.54 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 67 F 7.96 4.50 0.00 3.01 2.87 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 0.00 0.00 0.00 68 S 7.58 5.01 0.00 4.15 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 0.00 69 M 7.86 4.92 0.00 1.39 0.57 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.91 0.00 70 T 8.93 4.46 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 1.25 0.00 0.00 71 V 8.16 5.21 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 1.30 0.00 0.00 1.22 0.00 0.00 72 N 8.95 4.74 0.00 2.98 2.97 0.00 0.00 6.56 7.61 0.00 0.00 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 D 8.89 4.50 0.00 2.71 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 74 Q 7.84 4.39 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 75 K 8.89 4.94 0.00 1.76 1.91 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.49 7.81 76 F 9.02 5.60 0.00 2.75 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 77 D 9.09 5.09 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.23 0.00 0.36 0.93 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.97 5.43 0.00 2.43 2.53 0.00 0.00 6.60 7.32 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 80 I 8.56 4.10 1.53 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.47 0.48 0.00 0.00 81 I 7.32 4.16 1.79 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 1.02 1.17 0.93 0.00 0.00 82 G 8.57 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 83 A 8.82 4.12 0.99 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 0.00 0.00 84 R 9.47 4.86 0.00 2.14 2.11 0.00 3.14 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.41 0.00 85 E 7.75 2.00 0.00 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 86 D 7.51 4.46 0.00 2.79 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 87 D 8.23 4.99 0.00 2.99 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 88 G 7.94 4.36 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 0.00 89 G 6.92 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 0.00 0.00 0.00 90 E 7.73 5.04 0.00 1.60 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 2.24 1.98 0.00 91 Y 7.68 4.68 0.00 2.95 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 92 F 9.03 5.67 0.00 3.06 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 93 C 9.00 5.31 0.00 1.23 1.86 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 94 G 9.40 4.32 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 0.00 0.00 0.00 95 E 8.47 5.14 0.00 1.92 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 2.18 2.17 0.00 96 V 8.15 4.50 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 0.74 0.00 0.00 0.91 0.00 0.00 97 E 9.29 4.49 0.00 1.83 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 2.11 2.27 0.00 98 G 9.17 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 99 I 8.47 4.54 1.86 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 1.40 0.62 0.90 0.00 0.00 100 I 6.73 4.41 1.96 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 1.27 0.36 0.89 0.00 0.00 101 I 7.82 4.65 1.64 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.16 0.00 0.00 102 K 8.28 4.35 0.00 1.71 1.75 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.29 7.81 103 F 8.23 4.62 0.00 2.90 3.10 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 0.00 104 T 9.08 4.55 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 1.27 0.00 0.00 105 S 7.44 4.75 0.00 4.00 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 0.00 106 G 7.67 4.70 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 0.00 107 T 8.82 5.20 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 1.32 0.00 0.00 108 R 8.57 4.75 0.00 1.99 1.88 0.00 3.36 0.00 0.00 3.37 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 109 L 8.15 4.57 0.00 1.72 1.67 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.75 5.32 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 111 F 9.49 4.82 0.00 2.92 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 0.00 112 E 9.51 3.73 0.00 1.88 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 2.35 2.48 0.00 113 G 8.55 3.96 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 0.00 114 S 8.55 4.68 0.00 3.86 3.79 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 0.00 115 N 9.20 4.51 0.00 2.80 3.18 0.00 0.00 6.71 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 0.00 116 E 7.50 4.63 0.00 1.91 1.85 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 2.21 2.23 0.00 117 G 7.70 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 0.00 0.00 0.00 118 S 8.22 4.90 0.00 3.84 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 0.00 119 K 8.62 3.98 0.00 1.92 1.85 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.44 7.81 120 S 8.41 4.26 0.00 3.92 3.38 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 0.00 121 S 8.77 4.56 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 0.00 122 D 8.33 4.09 0.00 2.91 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 0.00 123 G 8.61 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 0.00 124 E 8.53 3.72 0.00 2.06 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 2.60 2.34 0.00 125 G 9.32 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 0.00 0.00 0.00 126 S 7.94 3.58 0.00 3.93 3.96 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 0.00 127 S 7.10 5.59 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 8.24 4.28 0.00 3.06 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