NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4350 8.1933 115.2880 57.9017 63.2322 176.4376 2 M 3.9757 8.8900 116.0421 57.7423 31.8335 175.8804 3 Q 4.0581 8.3907 116.9435 58.1343 29.8762 175.5129 4 D 4.7757 7.6495 117.6210 51.2899 41.2714 174.0022 5 P 4.2307 0.0000 0.0000 64.6063 31.7376 178.5032 6 I 3.6336 7.7545 119.7745 64.4297 37.1865 177.9072 7 A 4.0658 8.1807 121.0673 54.5491 18.1078 179.2510 8 D 4.2267 7.5412 116.9108 57.6948 41.2181 177.7090 9 M 3.9597 8.0155 118.6834 58.5438 32.1738 177.7682 10 L 3.9058 7.9432 118.9271 58.5458 41.9670 179.8486 11 T 3.9050 8.0918 112.4910 64.9080 67.2378 176.6802 12 R 3.9304 8.3908 120.6390 59.1844 30.0188 178.8259 13 I 3.6648 8.0159 119.8593 64.5214 37.0506 178.2161 14 R 3.9044 8.2474 119.5510 59.7890 29.7266 178.0089 15 N 4.6521 8.5712 114.1753 55.1709 38.7480 177.2294 16 G 3.7874 8.0686 108.4016 47.4584 0.0000 175.6841 17 Q 4.1768 8.6454 122.6484 57.6842 28.9035 179.3054 18 A 4.3413 7.7888 120.4133 53.9664 18.7741 177.8972 19 A 4.3811 8.0898 118.4334 53.5083 20.8691 177.6298 20 N 3.7712 7.8249 115.0567 56.1860 35.9400 175.8140 21 K 4.3097 7.8868 120.7188 54.6947 33.8806 175.9234 22 A 4.7502 8.3780 134.4052 50.8581 18.0709 176.2446 23 A 4.7466 7.3546 119.8788 51.6764 22.8125 177.8579 24 V 4.5111 8.4909 120.1471 61.7567 35.1579 173.6260 25 T 5.2803 8.3142 118.1721 60.2649 71.1417 173.3286 26 M 4.5956 8.7020 118.8390 53.5842 34.8510 172.3047 27 P 4.6583 0.0000 0.0000 63.4965 32.0501 175.7048 28 S 4.7885 9.0120 118.5910 57.2252 64.4703 173.1098 29 S 4.7023 8.1810 116.6674 55.3801 65.7405 174.9527 30 K 3.9491 8.6631 124.3142 59.4425 31.6095 179.3796 31 L 3.9647 7.7709 120.2261 57.7987 41.8724 178.6431 32 K 3.7924 8.0908 117.0496 59.7390 32.2171 178.8718 33 V 3.5149 7.6754 117.3878 65.9000 31.3547 177.8262 34 A 3.9449 7.3934 118.4733 54.8225 18.2395 179.4263 35 I 3.8196 7.3494 118.0993 64.1545 37.4364 177.7427 36 A 3.9767 7.6161 121.5339 55.6634 18.1246 179.1850 37 N 4.2948 7.9592 114.5680 56.8256 38.5579 176.8727 38 V 3.5679 7.9455 120.0131 65.9518 31.6972 177.7769 39 L 3.9712 7.9310 118.1186 57.8252 41.4485 179.5145 40 K 4.5888 8.3279 120.8172 59.1148 32.0489 178.1132 41 E 4.5367 8.0650 115.4073 56.6937 29.2920 176.3497 42 E 4.6381 7.4929 113.5574 55.1910 31.9920 176.0557 43 G 3.9803 8.3374 106.3439 47.0603 0.0000 174.0879 44 F 4.6665 9.0673 113.7256 56.8408 42.1684 175.8152 45 I 4.6230 7.4216 112.6772 59.4467 40.3325 175.2834 46 E 4.0697 8.9847 126.4679 58.3372 29.5672 176.4634 47 D 4.6427 7.5976 115.9574 52.4604 42.2325 175.1341 48 F 5.1363 8.6381 115.9270 56.1336 40.2923 174.3097 49 K 4.1817 8.4069 112.9032 55.8044 35.7781 175.9494 50 V 4.3097 8.4800 128.4519 59.7726 29.2915 176.9996 51 E 4.4318 7.9318 128.4301 56.7183 27.0514 178.2908 52 G 4.2738 7.5902 106.8666 43.8748 0.0000 168.9138 53 D 4.2546 9.1796 123.5856 55.9188 39.3138 177.7607 54 T 4.1104 9.1685 119.2421 64.6438 68.5999 174.0935 55 K 4.3742 7.5471 121.4930 53.4594 31.0762 172.2919 56 P 4.2818 0.0000 0.0000 62.9560 32.7199 174.3346 57 E 4.9468 8.8416 125.3616 54.2821 32.1342 174.2662 58 L 4.7714 9.5064 130.8798 54.2757 43.8924 174.7523 59 E 5.3830 9.3107 126.0784 54.4809 33.0007 174.2151 60 L 5.1171 9.1294 126.4777 53.2716 45.3713 175.5620 61 T 4.5442 8.3842 120.9247 62.6416 69.6370 175.0692 62 L 4.5635 8.5978 126.7395 54.1013 43.3111 176.4009 63 K 4.5632 7.7258 119.0525 54.8207 34.8844 175.8240 64 Y 4.7720 8.5560 120.3572 56.3426 41.8096 174.1773 65 F 5.1515 8.6391 127.7106 58.0192 39.0368 179.5625 66 Q 4.0484 8.8215 117.0713 56.0241 27.5612 176.8262 67 G 4.0294 9.0440 115.3129 46.0971 0.0000 172.7241 68 K 4.7761 7.5414 118.0227 54.2926 37.1119 177.2229 69 A 4.5951 8.4488 122.2313 52.0506 17.7405 178.0257 70 V 3.9456 8.1534 110.6435 65.4455 33.4132 176.7376 71 V 4.0186 7.6004 121.8420 62.4860 29.5845 174.7305 72 E 3.8717 8.6038 128.1366 58.5343 30.3847 176.4735 73 S 4.7804 7.7298 111.2667 56.6560 67.2025 172.5233 74 I 5.0115 8.0224 120.6292 58.7073 37.6665 174.1686 75 Q 4.4651 8.2300 125.7779 54.6379 31.1645 174.2701 76 R 4.4330 8.2769 120.3894 55.5017 32.5552 176.7866 77 V 3.9897 8.5078 122.5798 62.6347 33.1334 176.9550 78 S 4.1160 6.0046 119.3506 58.2892 62.1172 172.4287 79 R 4.6327 8.1510 123.8675 52.8245 31.8477 175.5998 80 P 4.3040 0.0000 0.0000 65.8008 31.0450 177.8878 81 G 3.7351 7.9351 106.0778 47.3523 0.0000 173.9299 82 L 4.4393 7.8338 120.7510 54.3555 43.7597 172.6329 83 R 4.1039 7.9614 121.0160 55.3198 31.0572 176.0103 84 I 4.2636 8.0813 123.2302 59.5456 40.0441 173.9581 85 Y 5.0625 8.4470 124.6063 56.2167 38.3752 175.3295 86 K 4.3807 9.0861 123.2077 55.9647 35.9854 176.4583 87 R 4.1719 8.8674 121.5898 56.9344 29.6513 177.3369 88 K 4.4526 8.3954 120.8142 58.6708 39.8422 176.9930 89 D 4.6496 8.1522 116.2356 54.2829 40.8994 176.0402 90 E 4.5831 7.8850 118.1326 55.1590 31.2746 175.7469 91 L 4.0568 7.8723 117.6601 55.2569 42.2174 174.8368 92 P 4.4283 0.0000 0.0000 61.9301 32.2418 176.0840 93 K 4.4712 8.1206 121.1408 54.4721 32.9647 175.8763 94 V 3.4313 7.9169 124.9054 64.2201 32.4774 175.3899 95 M 3.2047 9.2709 121.4934 57.2992 29.5921 176.7308 96 A 3.6481 9.1462 114.1829 53.8874 16.8417 178.2197 97 G 4.1836 8.3354 112.1717 47.8577 0.0000 175.9615 98 L 4.0629 7.5918 118.8338 54.2850 42.1355 177.0751 99 G 4.0122 8.7026 110.6088 46.0373 0.0000 172.1780 100 I 4.8595 8.1614 109.7619 59.2842 41.7550 173.6506 101 A 5.2023 9.3084 125.7213 50.5713 21.1104 176.5102 102 V 4.1750 8.8528 124.3921 62.4105 31.9186 175.7755 103 V 4.3761 7.4842 124.9838 61.6174 34.3534 175.4482 104 S 4.4941 8.2492 113.7320 59.0738 65.2236 176.0031 105 T 4.7283 8.7587 117.5356 59.0553 71.6744 174.0478 106 S 4.1960 8.7974 116.3125 61.1930 62.5214 175.4671 107 K 4.1742 7.8227 121.8143 54.3128 30.7784 176.8336 108 G 4.0098 8.2183 109.7492 45.3567 0.0000 170.8527 109 V 4.5332 7.7879 119.0794 61.4089 31.0380 176.2356 110 M 4.5994 7.6303 134.8981 55.1900 31.2775 175.8198 111 T 5.0592 8.0959 116.9721 59.9537 73.6314 174.5076 112 D 4.3216 8.5771 121.1107 56.6250 39.1479 178.6157 113 R 3.8478 7.9909 119.6933 59.0759 29.6078 178.2202 114 A 3.9954 8.8023 121.0671 55.0802 18.4169 179.5055 115 A 4.0422 8.8685 120.1590 54.7508 18.2471 179.9876 116 R 3.8190 7.8486 117.3655 59.7727 30.0962 178.4027 117 Q 4.2033 7.7463 114.6286 57.3378 28.8599 177.2021 118 A 4.4552 7.5088 120.1382 51.5783 19.3795 178.0242 119 G 3.9472 7.7118 105.0149 45.5428 0.0000 173.7717 120 L 4.7528 7.9516 120.1626 55.9586 41.7797 175.3711 121 G 4.5654 7.6276 107.4894 46.1037 0.0000 172.5318 122 G 4.1938 6.8260 107.8123 47.0998 0.0000 173.9094 123 E 5.0779 9.0292 126.9794 54.7150 31.5044 175.1903 124 I 4.2008 8.2472 120.9663 60.1881 38.3948 176.4610 125 I 3.7913 8.9017 130.0705 63.9875 37.9664 176.1176 126 C 4.6991 7.5677 114.5703 57.2146 32.5833 172.1306 127 Y 5.3111 7.8908 118.9906 56.9110 39.9937 174.7932 128 V 4.6276 9.0365 122.1446 61.0366 35.4098 175.2792 129 A 4.4852 8.7058 127.2397 52.2954 19.4395 175.7502 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 S 8.19 4.43 0.00 3.87 3.32 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 2 M 8.89 3.98 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 3 Q 8.39 4.06 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 4 D 7.65 4.78 0.00 2.68 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 5 P 0.00 4.23 0.00 2.29 2.28 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 6 I 7.75 3.63 1.99 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 1.54 0.95 0.86 0.00 0.00 7 A 8.18 4.07 1.34 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 0.00 0.00 0.00 8 D 7.54 4.23 0.00 2.88 2.82 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 9 M 8.02 3.96 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 10 L 7.94 3.91 0.00 1.87 1.71 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.09 3.91 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 1.28 0.00 0.00 12 R 8.39 3.93 0.00 2.07 1.98 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 13 I 8.02 3.66 2.07 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 1.43 0.92 0.93 0.00 0.00 14 R 8.25 3.90 0.00 1.94 2.10 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 15 N 8.57 4.65 0.00 2.84 2.88 0.00 0.00 7.07 7.59 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 16 G 8.07 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 0.00 0.00 0.00 17 Q 8.65 4.18 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 18 A 7.79 4.34 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 19 A 8.09 4.38 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 20 N 7.82 3.77 0.00 2.74 2.84 0.00 0.00 6.86 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 21 K 7.89 4.31 0.00 1.87 1.78 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.36 7.81 22 A 8.38 4.75 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 23 A 7.35 4.75 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 24 V 8.49 4.51 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 0.80 0.00 0.00 0.97 0.00 0.00 25 T 8.31 5.28 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 1.23 0.00 0.00 26 M 8.70 4.60 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 27 P 0.00 4.66 0.00 1.96 2.04 0.00 3.67 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 2.03 2.10 0.00 28 S 9.01 4.79 0.00 3.92 3.81 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 29 S 8.18 4.70 0.00 3.81 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 30 K 8.66 3.95 0.00 1.78 1.82 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.43 7.81 31 L 7.77 3.96 0.00 1.70 1.62 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.09 3.79 0.00 1.98 1.86 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.51 7.81 33 V 7.68 3.51 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 0.52 0.00 0.00 0.89 0.00 0.00 34 A 7.39 3.94 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 35 I 7.35 3.82 2.07 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 1.40 0.79 0.86 0.00 0.00 36 A 7.62 3.98 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 37 N 7.96 4.29 0.00 2.60 2.74 0.00 0.00 6.80 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 38 V 7.95 3.57 2.13 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 0.93 0.00 0.00 0.93 0.00 0.00 39 L 7.93 3.97 0.00 1.77 1.79 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.33 4.59 0.00 2.08 2.06 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.60 7.81 41 E 8.06 4.54 0.00 2.15 1.98 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 2.35 2.42 0.00 42 E 7.49 4.64 0.00 2.13 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 2.43 2.37 0.00 43 G 8.34 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 44 F 9.07 4.67 0.00 3.05 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 45 I 7.42 4.62 2.05 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 1.33 0.65 0.99 0.00 0.00 46 E 8.98 4.07 0.00 2.04 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 2.32 2.27 0.00 47 D 7.60 4.64 0.00 2.47 2.61 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 0.00 0.00 0.00 0.00 48 F 8.64 5.14 0.00 3.08 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 49 K 8.41 4.18 0.00 1.69 2.21 0.00 1.62 0.00 0.00 2.14 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.17 1.12 7.81 50 V 8.48 4.31 2.18 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 0.82 0.00 0.00 0.97 0.00 0.00 51 E 7.93 4.43 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 2.35 2.32 0.00 52 G 7.59 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 0.00 0.00 0.00 0.00 53 D 9.18 4.25 0.00 2.68 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.17 4.11 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 K 7.55 4.37 0.00 1.78 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.44 7.81 56 P 0.00 4.28 0.00 2.07 2.02 0.00 3.55 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 57 E 8.84 4.95 0.00 2.07 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 2.28 2.34 0.00 58 L 9.51 4.77 0.00 1.66 1.69 0.97 0.75 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 59 E 9.31 5.38 0.00 2.10 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 2.37 2.41 0.00 60 L 9.13 5.12 0.00 1.58 1.56 0.96 0.68 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 61 T 8.38 4.54 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 1.30 0.00 0.00 62 L 8.60 4.56 0.00 1.65 1.55 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.73 4.56 0.00 1.53 1.62 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.36 7.81 64 Y 8.56 4.77 0.00 3.06 2.86 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 65 F 8.64 5.15 0.00 2.89 2.24 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 66 Q 8.82 4.05 0.00 2.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 67 G 9.04 4.03 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 0.00 0.00 0.00 68 K 7.54 4.78 0.00 1.85 1.72 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.48 7.81 69 A 8.45 4.60 1.11 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 70 V 8.15 3.95 1.91 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 0.41 0.00 0.00 0.81 0.00 0.00 71 V 7.60 4.02 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 0.95 0.00 0.00 1.14 0.00 0.00 72 E 8.60 3.87 0.00 1.94 1.91 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 2.36 2.35 0.00 73 S 7.73 4.78 0.00 3.91 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 74 I 8.02 5.01 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.58 0.93 0.00 0.00 75 Q 8.23 4.47 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 76 R 8.28 4.43 0.00 1.73 1.71 0.00 3.26 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 77 V 8.51 3.99 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 0.68 0.00 0.00 -0.05 0.00 0.00 78 S 6.00 4.12 0.00 3.85 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 79 R 8.15 4.63 0.00 1.97 2.02 0.00 2.80 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 80 P 0.00 4.30 0.00 2.18 2.22 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 81 G 7.94 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 82 L 7.83 4.44 0.00 1.56 1.44 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.96 4.10 0.00 1.60 1.40 0.00 3.33 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 84 I 8.08 4.26 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 0.86 0.00 0.00 85 Y 8.45 5.06 0.00 2.84 2.80 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 86 K 9.09 4.38 0.00 1.76 1.70 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.45 7.81 87 R 8.87 4.17 0.00 1.88 1.74 0.00 3.17 0.00 0.00 3.40 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 88 K 8.40 4.45 0.00 1.81 1.95 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.43 7.81 89 D 8.15 4.65 0.00 2.67 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 90 E 7.89 4.58 0.00 1.89 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 2.18 2.29 0.00 91 L 7.87 4.06 0.00 1.79 1.64 1.02 1.07 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 92 P 0.00 4.43 0.00 2.06 2.11 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 93 K 8.12 4.47 0.00 1.80 1.83 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.32 7.81 94 V 7.92 3.43 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 0.94 0.00 0.00 0.69 0.00 0.00 95 M 9.27 3.20 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 96 A 9.15 3.65 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 97 G 8.34 4.18 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 0.00 98 L 7.59 4.06 0.00 1.70 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.70 4.01 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 0.00 0.00 0.00 100 I 8.16 4.86 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.74 0.96 0.00 0.00 101 A 9.31 5.20 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.85 4.18 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 0.97 0.00 0.00 0.85 0.00 0.00 103 V 7.48 4.38 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 1.06 0.00 0.00 0.98 0.00 0.00 104 S 8.25 4.49 0.00 3.84 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 0.00 105 T 8.76 4.73 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 1.26 0.00 0.00 106 S 8.80 4.20 0.00 3.98 4.05 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 0.00 107 K 7.82 4.17 0.00 1.75 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 108 G 8.22 4.01 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 0.00 0.00 0.00 109 V 7.79 4.53 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 0.88 0.00 0.00 0.91 0.00 0.00 110 M 7.63 4.60 0.00 2.11 1.73 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 111 T 8.10 5.06 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 1.20 0.00 0.00 112 D 8.58 4.32 0.00 2.98 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 0.00 113 R 7.99 3.85 0.00 1.90 1.97 0.00 3.18 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 1.70 1.71 0.00 114 A 8.80 4.00 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 0.00 115 A 8.87 4.04 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.85 3.82 0.00 2.33 2.01 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 117 Q 7.75 4.20 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 118 A 7.51 4.46 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 0.00 119 G 7.71 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 0.00 120 L 7.95 4.75 0.00 1.68 1.58 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.63 4.57 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 0.00 122 G 6.83 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 0.00 0.00 0.00 123 E 9.03 5.08 0.00 2.40 1.98 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 2.32 2.01 0.00 124 I 8.25 4.20 1.81 0.00 0.00 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 1.45 0.34 0.99 0.00 0.00 125 I 8.90 3.79 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 1.23 0.49 0.83 0.00 0.00 126 C 7.57 4.70 0.00 2.98 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 0.00 127 Y 7.89 5.31 0.00 2.88 2.77 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 0.00 128 V 9.04 4.63 1.40 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 0.54 0.00 0.00 0.74 0.00 0.00 129 A 8.71 4.49 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