NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4530 8.3049 118.7877 54.0198 33.1011 175.3140 2 D 4.4093 8.4522 123.7555 52.4386 41.6219 174.7506 3 K 4.0760 9.0857 122.4071 56.8144 33.8816 176.7549 4 K 4.2359 8.0686 123.0160 56.0771 34.2089 175.7763 5 T 5.2979 9.0350 117.4486 62.0219 71.7909 173.2490 6 I 4.9857 9.2338 126.6546 59.2693 41.4039 173.5903 7 Y 5.3488 8.3847 129.2826 56.0670 41.5939 173.7894 8 F 5.1012 9.1851 126.9344 56.4449 40.9729 175.1636 9 I 5.4917 9.1660 124.7663 58.7166 40.3645 174.5456 10 C 5.1427 8.3369 119.9566 56.6344 33.6288 174.6206 11 T 3.7714 8.8714 114.7942 66.2207 68.7676 176.2795 12 G 4.0745 7.8841 105.0676 43.7587 0.0000 172.5893 13 N 4.7049 8.0403 116.1347 53.7677 37.4601 173.3375 14 S 4.9938 7.7465 113.6879 58.4941 65.2428 174.4319 15 C 4.8734 7.2236 117.8412 59.2796 34.4014 175.5036 16 R 3.8627 8.2603 117.1741 59.5489 30.3756 179.1265 17 S 4.0846 7.9944 113.2451 61.3123 63.1159 176.3808 18 Q 3.9823 7.9829 121.4183 59.0809 28.4942 178.2146 19 M 3.9509 8.3404 119.8336 58.1461 31.9554 178.6555 20 A 3.6446 7.9451 121.0895 54.9050 18.3229 179.3190 21 E 4.0964 8.2628 118.0370 59.2471 29.8838 179.2829 22 G 3.4585 8.0576 105.7182 47.6280 0.0000 175.7436 23 W 4.6152 8.3104 122.3682 59.3136 29.0833 178.8085 24 G 3.8526 8.7127 106.1025 48.0053 0.0000 175.8055 25 K 4.2284 8.2839 122.4419 59.6646 32.0736 179.8022 26 E 4.2196 7.7003 116.5522 61.3344 29.9210 181.3011 27 I 4.2783 8.2153 120.2543 63.2774 37.6756 177.5883 28 L 4.8372 8.4064 117.8323 54.5685 41.8024 178.4828 29 G 3.8481 8.2211 106.5508 48.0808 0.0000 175.3055 30 E 4.3106 8.4617 119.6190 58.3851 29.8785 177.6460 31 G 4.1778 8.5352 103.7564 45.6949 0.0000 173.2547 32 W 5.7314 8.0722 119.1681 55.0142 33.3698 174.3561 33 N 4.7405 9.7116 121.9628 52.6323 39.7169 174.2242 34 V 4.8261 8.0416 122.7048 61.3948 33.9268 174.0101 35 Y 5.1617 9.1135 124.5894 56.4454 42.3411 174.4129 36 S 5.4121 8.8788 113.6143 57.6900 66.5962 172.5690 37 A 4.8888 8.8195 122.1108 51.7073 23.1506 174.8134 38 G 4.8186 8.9234 105.2449 45.8395 0.0000 174.3373 39 I 3.8913 8.5106 120.6121 63.7606 37.8366 175.9238 40 E 4.9136 8.5107 119.7311 54.5607 34.2586 174.7908 41 T 4.8295 8.4444 110.3219 60.7590 70.1119 173.7651 42 H 4.7807 9.3713 123.3485 54.8409 30.0270 176.0961 43 G 3.9676 8.1799 104.9496 44.9194 0.0000 172.8176 44 V 4.1739 8.0084 118.7911 61.6204 31.9814 175.3211 45 N 4.4251 9.0306 127.2602 53.1867 39.5673 173.7864 46 P 4.2003 0.0000 0.0000 65.7147 31.3579 178.9549 47 K 3.7481 8.2771 117.0634 58.7903 31.7206 179.3862 48 A 4.1518 8.0675 120.9356 55.1544 18.3994 179.3648 49 I 3.6103 7.8674 118.4377 64.6307 37.2612 178.2394 50 E 3.8673 8.2970 119.7326 59.1826 29.1480 178.5947 51 A 4.3296 8.6729 121.0765 55.7753 18.4634 179.6075 52 M 3.9124 8.2893 117.0923 58.1593 31.9017 179.0038 53 K 3.8861 8.2646 118.9477 59.5528 32.0051 178.8581 54 E 4.0984 8.1362 117.9399 58.4005 29.4919 178.2231 55 V 4.3225 6.7967 110.7432 60.5014 32.4770 175.2045 56 D 4.4570 8.1444 116.3944 55.5935 38.5664 173.7768 57 I 4.2612 7.6583 119.1050 59.3771 39.5979 174.9785 58 D 4.5525 8.6386 125.5561 53.2480 41.0251 175.4313 59 I 4.3296 8.0012 119.6299 60.4695 38.1092 177.6290 60 S 4.1617 8.5558 117.3060 60.9635 62.8926 174.7725 61 N 4.8511 7.9047 116.1405 52.8563 38.7404 174.7875 62 Q 4.2396 7.7586 118.1816 55.8645 29.4134 175.7816 63 T 4.3334 8.2009 110.7813 60.5709 70.3404 174.3174 64 S 4.7845 8.4922 118.8285 57.2266 62.8994 172.7488 65 D 5.1323 9.4540 127.6671 52.3416 44.7752 175.7437 66 L 4.9151 8.3717 120.4099 53.5005 43.0432 176.8394 67 I 3.9481 8.2843 122.0284 61.6094 37.9496 175.1016 68 D 4.9497 9.2629 126.4788 52.2388 43.0465 176.7600 69 N 4.4474 8.7713 124.0683 56.3035 38.3320 177.1696 70 D 4.2950 8.0347 119.4785 57.3658 41.1280 178.3096 71 I 3.4827 8.0330 120.3964 63.9183 36.9383 178.3032 72 L 4.0836 7.9685 119.8933 58.0688 41.3326 179.8173 73 K 4.0068 8.1660 116.9744 58.8372 32.0027 178.3598 74 Q 4.4316 7.2561 115.2988 54.6954 29.4545 175.8164 75 S 4.5469 7.3287 117.5098 58.5656 63.5549 174.0833 76 D 4.7358 9.0888 124.8402 56.3398 41.8577 176.9114 77 L 4.7261 7.9277 120.1376 53.8034 45.8244 174.2381 78 V 4.5737 8.8107 126.9322 61.2923 33.6923 174.4044 79 V 4.4640 8.4056 128.4403 61.0748 33.6675 174.3154 80 T 4.7397 8.4382 119.1924 61.2123 70.4981 175.1978 81 L 5.4735 9.1803 122.9767 54.0738 43.8554 175.5570 82 C 5.1047 7.7660 112.9919 55.7624 32.7745 175.0858 83 S 4.0987 8.7342 116.3285 61.5861 62.4222 176.3932 84 D 4.2773 8.1087 120.0800 57.3382 41.0192 178.0502 85 A 3.9681 7.9185 120.7010 55.2595 18.2460 178.9847 86 D 4.2620 8.0033 115.4213 57.5096 41.4218 177.8910 87 N 4.5915 8.5221 115.9092 54.9212 38.5918 175.5352 88 N 4.9519 7.5311 115.1487 52.5326 39.8305 173.9602 89 C 4.0581 7.7903 119.5040 58.7311 31.9039 171.9476 90 P 4.4824 0.0000 0.0000 62.0940 31.6962 175.9812 91 I 3.7413 8.0964 120.1533 61.6260 37.3174 176.3586 92 L 4.4459 8.2268 125.0995 52.8485 43.0758 174.8585 93 P 4.3450 0.0000 0.0000 62.5205 31.7585 176.1391 94 P 4.3156 0.0000 0.0000 64.9164 31.4228 176.9985 95 N 4.8028 8.1039 113.3479 52.1652 37.5167 174.0480 96 V 4.2585 7.4715 119.0193 61.2429 32.9647 175.0825 97 K 4.3760 8.4930 128.7497 55.9638 33.5521 175.1480 98 K 5.0848 8.6067 127.0977 54.7199 35.2973 174.8259 99 E 4.8530 9.0607 125.3042 54.8232 33.9513 174.2010 100 H 5.1234 8.8736 122.4211 54.0983 31.4156 174.5290 101 W 4.6330 8.7871 127.8161 54.8110 29.8202 175.1350 102 G 3.8957 8.1142 112.0449 45.8641 0.0000 170.7607 103 F 5.0658 8.4325 122.3548 55.1668 42.5931 175.1088 104 D 4.4199 8.8840 121.1825 54.5046 41.3010 175.6671 105 D 4.5727 8.3911 121.7914 52.6885 41.5942 174.4471 106 P 4.1506 0.0000 0.0000 62.4784 31.7284 175.5693 107 A 4.0904 7.9161 123.0738 54.4743 18.3338 178.1559 108 G 3.9567 9.2920 110.5353 45.7247 0.0000 172.7664 109 K 4.6162 7.7390 118.9565 54.0282 34.7879 175.6668 110 E 4.3773 8.4281 118.6190 55.9895 30.1848 178.0874 111 W 4.5886 9.0459 130.1016 60.8806 30.4654 177.9798 112 S 4.0011 8.4507 113.8223 61.8579 62.0505 176.4601 113 E 3.9201 8.4869 121.7821 59.0821 29.0731 179.3341 114 F 4.0224 8.2934 117.5451 60.4072 39.0924 177.5657 115 Q 3.7690 7.9722 117.7761 58.7332 28.4541 178.6103 116 R 3.7878 8.0088 119.8172 59.7005 30.0786 178.7910 117 V 3.7387 7.7650 117.8404 65.6470 31.4715 177.5855 118 R 3.9677 8.2762 119.1137 60.0219 29.8761 178.1042 119 D 4.3583 8.0938 117.7162 56.7087 40.8755 178.7265 120 E 3.9783 8.1020 119.6340 59.3236 29.4728 179.2666 121 I 3.1653 7.5458 119.9261 63.8629 37.0670 178.0599 122 K 2.6277 7.4884 120.4306 59.2329 31.6535 178.4246 123 L 3.9014 7.5410 119.9684 57.9905 41.9446 178.6883 124 A 3.7836 7.9698 120.7053 55.2772 18.3378 179.7523 125 I 3.9564 7.8902 118.2895 64.3951 36.9317 178.5550 126 E 3.9605 7.9946 118.8129 59.3368 29.6861 179.1839 127 K 4.0477 8.2740 118.8703 59.3169 32.0802 179.0604 128 F 4.0841 8.2838 120.9745 61.2798 39.0854 176.8327 129 K 3.7467 7.9744 117.8801 59.1087 31.9329 177.5867 130 L 4.4860 7.1985 115.6484 54.2317 41.9142 176.7963 131 R 4.0424 7.4517 124.2658 56.7625 30.0641 176.3437 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 4.45 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 D 8.45 4.41 0.00 2.68 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 3 K 9.09 4.08 0.00 1.60 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 4 K 8.07 4.24 0.00 0.79 0.74 0.00 0.96 0.00 0.00 1.24 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.06 0.84 7.81 5 T 9.04 5.30 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 1.34 0.00 0.00 6 I 9.23 4.99 1.52 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.98 0.85 0.00 0.00 7 Y 8.38 5.35 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.19 5.10 0.00 3.10 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 9 I 9.17 5.49 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 0.61 1.22 0.78 0.00 0.00 10 C 8.34 5.14 0.00 2.95 3.01 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 11 T 8.87 3.77 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 1.28 0.00 0.00 12 G 7.88 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.04 4.70 0.00 2.76 2.80 0.00 0.00 7.12 7.63 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 14 S 7.75 4.99 0.00 4.06 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 15 C 7.22 4.87 0.00 3.05 2.76 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 16 R 8.26 3.86 0.00 1.90 1.95 0.00 3.45 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 17 S 7.99 4.08 0.00 4.22 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 0.00 18 Q 7.98 3.98 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 19 M 8.34 3.95 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 20 A 7.95 3.64 0.23 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 21 E 8.26 4.10 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 2.32 2.38 0.00 22 G 8.06 3.46 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 0.00 23 W 8.31 4.62 0.00 3.31 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 24 G 8.71 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 0.00 0.00 0.00 25 K 8.28 4.23 0.00 1.77 1.92 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.59 7.81 26 E 7.70 4.22 0.00 2.15 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 2.26 2.22 0.00 27 I 8.22 4.28 2.06 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 1.59 1.21 0.97 0.00 0.00 28 L 8.41 4.84 0.00 1.93 1.82 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.22 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 0.00 0.00 0.00 30 E 8.46 4.31 0.00 2.30 2.08 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 2.31 1.95 0.00 31 G 8.54 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 32 W 8.07 5.73 0.00 3.36 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.71 4.74 0.00 2.80 2.72 0.00 0.00 6.24 8.10 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 34 V 8.04 4.83 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 1.05 0.00 0.00 1.09 0.00 0.00 35 Y 9.11 5.16 0.00 2.95 2.85 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 36 S 8.88 5.41 0.00 4.01 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 37 A 8.82 4.89 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 38 G 8.92 4.82 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 0.00 0.00 0.00 39 I 8.51 3.89 1.99 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 1.34 0.59 0.90 0.00 0.00 40 E 8.51 4.91 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 41 T 8.44 4.83 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 1.30 0.00 0.00 42 H 9.37 4.78 0.00 3.03 3.35 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 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 44 V 8.01 4.17 2.08 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 0.80 0.00 0.00 0.98 0.00 0.00 45 N 9.03 4.43 0.00 2.84 2.86 0.00 0.00 6.76 7.26 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 46 P 0.00 4.20 0.00 2.08 2.01 0.00 3.63 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 2.05 2.14 0.00 47 K 8.28 3.75 0.00 0.79 0.74 0.00 1.26 0.00 0.00 1.20 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.10 1.11 7.81 48 A 8.07 4.15 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 49 I 7.87 3.61 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.87 0.00 0.00 50 E 8.30 3.87 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.84 0.00 51 A 8.67 4.33 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 52 M 8.29 3.91 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.81 0.00 53 K 8.26 3.89 0.00 2.04 1.87 0.00 1.76 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 54 E 8.14 4.10 0.00 2.31 2.27 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 2.40 2.51 0.00 55 V 6.80 4.32 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 0.99 0.00 0.00 0.50 0.00 0.00 56 D 8.14 4.46 0.00 2.82 2.76 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 57 I 7.66 4.26 1.49 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 1.02 0.54 0.70 0.00 0.00 58 D 8.64 4.55 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.00 4.33 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 1.40 0.58 0.79 0.00 0.00 60 S 8.56 4.16 0.00 3.97 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 61 N 7.90 4.85 0.00 2.70 2.85 0.00 0.00 6.96 7.69 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 62 Q 7.76 4.24 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 63 T 8.20 4.33 4.42 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 1.24 0.00 0.00 64 S 8.49 4.78 0.00 3.87 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 65 D 9.45 5.13 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.37 4.92 0.00 1.55 1.61 0.93 1.01 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 67 I 8.28 3.95 1.86 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 1.01 0.56 0.92 0.00 0.00 68 D 9.26 4.95 0.00 2.75 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 69 N 8.77 4.45 0.00 2.90 2.85 0.00 0.00 7.15 8.08 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 70 D 8.03 4.29 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.03 3.48 1.23 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.04 -0.41 0.00 0.00 72 L 7.97 4.08 0.00 1.94 1.77 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.17 4.01 0.00 1.86 1.86 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 74 Q 7.26 4.43 0.00 1.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 75 S 7.33 4.55 0.00 4.08 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 9.09 4.74 0.00 2.84 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 77 L 7.93 4.73 0.00 1.92 1.42 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.81 4.57 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 0.83 0.00 0.00 1.00 0.00 0.00 79 V 8.41 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 -0.15 0.00 0.00 -0.35 0.00 0.00 80 T 8.44 4.74 4.28 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 1.20 0.00 0.00 81 L 9.18 5.47 0.00 1.76 1.89 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.77 5.10 0.00 3.09 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 83 S 8.73 4.10 0.00 3.89 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 84 D 8.11 4.28 0.00 2.75 2.67 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 85 A 7.92 3.97 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 86 D 8.00 4.26 0.00 2.75 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 87 N 8.52 4.59 0.00 2.75 2.85 0.00 0.00 6.85 7.76 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 88 N 7.53 4.95 0.00 2.86 2.76 0.00 0.00 6.91 6.95 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 89 C 7.79 4.06 0.00 3.07 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 90 P 0.00 4.48 0.00 2.22 2.04 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 91 I 8.10 3.74 1.87 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 1.41 0.53 0.91 0.00 0.00 92 L 8.23 4.45 0.00 1.64 1.60 0.92 1.15 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 93 P 0.00 4.35 0.00 2.18 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 94 P 0.00 4.32 0.00 2.04 2.12 0.00 3.65 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 2.03 2.08 0.00 95 N 8.10 4.80 0.00 2.82 2.89 0.00 0.00 5.84 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 96 V 7.47 4.26 2.23 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 0.80 0.00 0.00 1.02 0.00 0.00 97 K 8.49 4.38 0.00 1.94 1.87 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.49 7.81 98 K 8.61 5.08 0.00 1.74 1.61 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.51 7.81 99 E 9.06 4.85 0.00 1.92 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 0.00 2.35 2.32 0.00 100 H 8.87 5.12 0.00 3.27 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 W 8.79 4.63 0.00 3.38 2.83 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 0.00 102 G 8.11 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 0.00 0.00 0.00 103 F 8.43 5.07 0.00 2.95 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 0.00 104 D 8.88 4.42 0.00 2.67 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 0.00 105 D 8.39 4.57 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.15 0.00 0.49 1.77 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.40 0.00 107 A 7.92 4.09 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 0.00 108 G 9.29 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 0.00 109 K 7.74 4.62 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.57 7.81 110 E 8.43 4.38 0.00 2.14 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 2.48 2.37 0.00 111 W 9.05 4.59 0.00 3.32 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 0.00 112 S 8.45 4.00 0.00 4.07 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 0.00 113 E 8.49 3.92 0.00 2.18 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 0.00 2.35 2.49 0.00 114 F 8.29 4.02 0.00 3.24 3.15 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 0.00 115 Q 7.97 3.77 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 1.67 1.26 0.00 116 R 8.01 3.79 0.00 2.00 1.99 0.00 3.28 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 117 V 7.76 3.74 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 0.93 0.00 0.00 0.92 0.00 0.00 118 R 8.28 3.97 0.00 2.04 2.23 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 119 D 8.09 4.36 0.00 2.72 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 0.00 120 E 8.10 3.98 0.00 2.26 2.32 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 2.38 2.50 0.00 121 I 7.55 3.17 1.79 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 -0.36 0.69 0.00 0.00 122 K 7.49 2.63 0.00 0.79 1.36 0.00 0.93 0.00 0.00 1.14 0.00 0.00 2.49 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.92 0.21 7.81 123 L 7.54 3.90 0.00 1.67 1.67 0.82 1.23 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 0.00 124 A 7.97 3.78 1.38 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 0.00 0.00 125 I 7.89 3.96 1.85 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 1.91 1.21 1.06 0.00 0.00 126 E 7.99 3.96 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 127 K 8.27 4.05 0.00 1.78 1.77 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.54 7.81 128 F 8.28 4.08 0.00 3.11 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 0.00 129 K 7.97 3.75 0.00 1.95 2.04 0.00 2.05 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.58 7.81 130 L 7.20 4.49 0.00 1.64 1.63 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.45 4.04 0.00 1.71 1.81 0.00 3.15 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00