NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4570 8.3349 115.4101 58.1400 64.0654 172.8322 4 V 4.3006 8.0205 118.2528 57.8059 34.6756 173.3717 5 P 4.3826 0.0000 0.0000 61.9776 32.7731 174.4030 6 P 4.4398 0.0000 0.0000 62.4419 31.8716 177.0701 7 G 4.0779 8.4676 108.8118 45.8930 0.0000 172.1213 8 D 5.4273 8.7160 119.1182 53.4331 43.2286 175.1216 9 I 4.6498 8.1033 114.8049 59.0788 40.7861 174.3744 10 Q 4.8075 8.7949 121.6029 54.2395 31.8954 175.1147 11 T 5.0937 8.3441 111.9262 60.0095 72.8499 172.8275 12 Q 4.8653 8.7962 121.1288 53.3669 32.2491 173.6962 13 P 4.6348 0.0000 0.0000 62.6599 31.9902 176.7105 14 G 4.1357 8.4467 107.4135 47.0404 0.0000 174.6017 15 T 4.6572 7.4268 113.5660 63.5937 71.4719 173.5479 16 K 4.2741 7.4242 117.6958 56.5340 35.0426 174.0127 17 I 4.5335 7.9212 119.8391 59.1999 41.3435 173.6480 18 V 4.5528 8.3600 128.7150 61.2643 33.2567 174.5034 19 F 4.7943 8.5535 127.3639 56.2650 40.4868 174.7509 20 N 5.2687 9.1328 121.9980 52.3177 39.4039 175.3704 21 A 2.9587 8.5693 125.7151 50.4673 19.3078 175.3883 22 P 4.0237 0.0000 0.0000 62.2987 32.8988 175.5821 23 Y 4.9616 7.9014 115.9201 58.2732 38.6110 176.7606 24 D 4.7578 8.2635 117.1633 54.3585 41.4210 175.3598 25 D 4.9244 7.5411 118.1218 52.2404 45.5881 174.3462 26 K 4.4502 8.4467 120.9239 56.3776 33.0179 175.4301 27 H 4.9713 9.3110 124.7009 54.2440 31.9756 172.9776 28 T 4.8419 8.3270 118.9835 62.2076 70.2160 173.4912 29 Y 4.6268 9.3607 124.5303 56.6256 41.2828 174.3490 30 H 5.4759 8.8478 116.7099 54.2117 32.4602 173.3716 31 I 4.7285 8.8154 122.4824 59.4170 40.6986 174.2308 32 K 4.6973 9.1057 129.1904 55.1398 33.8650 175.0630 33 V 4.5169 8.6974 128.3320 61.2303 33.5961 174.1207 34 I 4.5135 8.7310 129.2512 59.5240 40.0269 174.7371 35 N 4.6692 8.7874 126.5480 53.0056 38.0802 175.2570 36 S 4.6484 8.1656 118.4549 59.6724 63.7274 174.7091 37 S 4.3497 8.0146 114.1944 58.0442 63.4947 173.7767 38 A 4.4810 8.3639 121.2084 52.3605 19.0388 176.8850 39 R 4.8125 7.4779 113.8289 53.6135 34.2676 175.5558 40 R 4.3705 8.5738 121.9922 56.7063 31.0985 175.3753 41 I 5.0988 8.8730 119.5264 59.1003 41.5323 174.3670 42 G 5.1562 9.5197 110.6621 44.8634 0.0000 171.8463 43 Y 6.1285 9.2781 121.3215 55.1493 41.9801 174.4647 44 G 4.5776 10.0448 107.3854 44.5894 0.0000 171.5413 45 I 5.3679 8.8224 122.9338 59.2948 40.1646 175.2019 46 K 4.9535 9.4873 124.9463 54.9195 36.6848 175.0659 47 T 5.4890 8.5974 110.8798 59.1085 72.3133 173.6130 48 T 4.2813 8.4808 110.0963 62.1995 70.4119 174.1174 49 N 5.2447 8.0173 120.3016 52.3619 39.6085 174.2605 50 M 4.2486 8.3695 123.9488 57.5811 32.7534 178.6318 51 K 4.1015 8.1237 117.5874 59.4331 32.6334 178.1122 52 R 4.1600 8.1032 118.7032 57.8856 30.4620 175.8441 53 L 5.7255 7.3634 116.3373 52.8242 44.1058 176.5613 54 G 4.2587 8.1995 105.7395 45.3857 0.0000 172.1686 55 V 5.1548 8.4267 122.3552 61.0023 34.6608 174.4876 56 D 5.0296 9.0452 126.4416 51.9908 45.0532 173.3565 57 P 4.8912 0.0000 0.0000 62.2401 32.1659 174.6661 58 P 4.6887 0.0000 0.0000 64.6611 32.6038 174.9501 59 C 4.3689 7.0521 112.8658 57.6827 31.9949 173.8566 60 G 3.6995 5.7997 104.4526 46.2744 0.0000 171.7171 61 V 5.2815 8.6379 118.8020 61.1501 34.8180 175.7535 62 L 4.9608 9.1830 127.2061 53.0362 44.9594 176.3259 63 D 4.9194 9.7107 123.9780 52.7612 42.7418 174.1454 64 P 4.3955 0.0000 0.0000 64.1944 31.5523 177.4334 65 K 3.9759 9.1120 121.2344 56.5441 30.8690 175.6600 66 E 4.4461 7.9148 120.7370 55.5716 30.8981 175.0528 67 A 5.3730 8.5110 126.4691 50.1081 22.7656 175.5088 68 V 4.4492 8.5643 117.6106 59.9368 35.2873 174.2157 69 L 4.9950 8.5607 125.2923 53.5713 43.2885 175.4597 70 L 4.7340 9.3797 127.4350 53.8845 43.9599 175.7509 71 A 4.7856 9.1870 124.5833 50.4259 21.1569 175.9511 72 V 4.6284 9.1887 124.6925 61.7574 33.4773 174.7171 73 S 5.0539 9.4381 125.3848 57.4151 65.1003 173.1752 74 C 5.1899 9.3654 124.7481 57.3882 33.3109 173.0132 75 D 4.9667 9.0451 126.2601 53.8662 41.4571 176.5864 76 A 4.6116 8.6018 122.8968 52.6536 18.7888 176.9472 77 F 4.9965 8.6755 116.1271 55.2890 41.8575 174.7062 78 A 4.1538 8.9234 123.4934 51.2911 17.6048 177.0912 79 F 4.3830 8.3572 124.0575 60.5391 40.2468 174.4702 80 G 4.1202 7.8172 118.6797 45.8475 0.0000 174.7595 81 Q 4.0246 7.9668 119.4725 57.7659 29.2769 176.0445 82 E 4.5836 7.5086 115.1554 53.9609 31.6576 175.1436 83 D 4.2800 8.4233 121.6609 54.7150 41.4112 175.9418 84 T 4.1460 8.0904 114.5577 61.1853 69.5209 173.6453 85 N 4.6866 8.6631 119.8781 54.3016 39.5625 174.4836 86 N 5.0806 7.6104 112.8196 53.2422 39.5982 173.6458 87 D 5.6032 7.9626 118.2020 51.9867 44.3674 177.4177 88 R 4.9456 8.2814 117.0217 55.2611 33.0885 173.4141 89 I 4.8512 8.7582 121.7554 59.9742 40.2605 174.7456 90 T 5.0238 9.4409 123.2780 61.7929 72.0923 172.9003 91 V 4.8699 9.2104 127.0131 61.4497 33.5617 174.2034 92 E 5.5292 9.5724 127.9878 54.6094 32.7549 175.0976 93 W 6.0244 8.8957 119.3946 56.2392 32.1697 173.1631 94 T 4.9515 9.3542 114.4771 60.4583 70.8764 172.6467 95 N 5.0398 8.7708 123.5935 53.6470 39.1648 175.1517 96 T 3.3662 8.5483 113.9632 60.1845 68.6679 172.8533 97 P 4.3390 0.0000 0.0000 61.9454 32.3672 175.4744 98 D 4.4232 8.2199 118.8863 56.0277 41.3780 176.2715 99 G 4.2351 8.4185 114.9548 46.9390 0.0000 173.8684 100 A 3.6219 6.9128 120.1585 48.8755 18.9951 177.0997 101 A 4.3529 8.4774 125.3556 51.7411 20.1672 177.7422 102 K 4.4900 8.2559 120.6153 55.2835 30.9233 176.9053 103 Q 4.3435 7.6448 119.1669 54.1002 31.7454 173.7910 104 F 3.5220 8.8074 127.5352 58.6094 40.0346 174.6811 105 R 3.7482 5.8400 123.0501 53.8732 32.5962 176.5443 106 R 3.7204 8.1085 122.4375 58.7285 30.5899 178.8387 107 E 4.0002 7.6062 117.3292 58.8284 29.1580 178.9345 108 W 4.4921 7.6400 118.4836 59.2700 29.1469 177.5730 109 F 4.8692 7.8822 115.0780 58.4756 38.8021 177.0473 110 Q 4.5413 7.9169 117.0581 57.0762 29.7800 175.9426 111 G 3.9183 7.8179 107.2955 44.6294 0.0000 172.5160 112 D 4.3807 8.6074 118.9512 54.3213 41.4224 177.9653 113 G 3.6970 7.5902 109.4761 44.9141 0.0000 171.3991 114 M 4.6081 8.1622 120.4217 53.3183 34.7437 174.8215 115 V 4.1902 8.1346 122.9405 60.9676 33.6129 174.4959 116 R 4.2311 8.1266 128.2240 54.3479 32.4366 174.5832 117 R 5.1049 7.8645 123.7985 54.4064 33.6936 174.0126 118 K 4.7097 9.7953 126.5182 54.8809 35.2292 174.4595 119 N 5.2244 8.9400 124.8374 52.3438 40.4626 175.2044 120 L 4.6409 9.1612 122.7200 51.8118 44.1815 173.7769 121 P 4.6322 0.0000 0.0000 62.7590 32.7817 175.2361 122 I 4.2238 8.1924 125.1565 59.9514 38.2333 174.7243 123 E 4.5961 8.6469 128.8995 54.4822 32.0372 173.9743 124 Y 4.9622 8.8021 124.5972 56.8649 39.6611 174.6131 125 N 4.9796 9.4778 124.3326 51.1012 40.8728 172.7274 126 P 4.2456 0.0000 0.0000 62.7372 31.6925 176.2626 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 S 8.33 4.46 0.00 3.97 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 4 V 8.02 4.30 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 0.74 0.00 0.00 0.92 0.00 0.00 5 P 0.00 4.38 0.00 2.02 1.94 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 6 P 0.00 4.44 0.00 1.93 2.02 0.00 3.54 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.05 0.00 7 G 8.47 4.08 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 0.00 0.00 0.00 8 D 8.72 5.43 0.00 2.89 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 9 I 8.10 4.65 1.49 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.41 -0.24 0.00 0.00 10 Q 8.79 4.81 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 11 T 8.34 5.09 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 1.10 0.00 0.00 12 Q 8.80 4.87 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 13 P 0.00 4.63 0.00 2.32 2.05 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 14 G 8.45 4.14 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 0.00 15 T 7.43 4.66 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 1.20 0.00 0.00 16 K 7.42 4.27 0.00 1.71 1.70 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 1.23 7.81 17 I 7.92 4.53 1.81 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.59 0.67 0.00 0.00 18 V 8.36 4.55 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 0.87 0.00 0.00 0.88 0.00 0.00 19 F 8.55 4.79 0.00 2.67 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 20 N 9.13 5.27 0.00 2.69 2.74 0.00 0.00 7.05 6.83 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 21 A 8.57 2.96 0.67 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 0.00 0.00 22 P 0.00 4.02 0.00 2.08 1.93 0.00 3.27 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 23 Y 7.90 4.96 0.00 2.65 2.34 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 24 D 8.26 4.76 0.00 2.64 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 25 D 7.54 4.92 0.00 2.37 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.45 0.00 1.76 1.68 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.48 7.81 27 H 9.31 4.97 0.00 3.11 2.94 0.00 5.63 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 28 T 8.33 4.84 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 1.16 0.00 0.00 29 Y 9.36 4.63 0.00 2.92 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 30 H 8.85 5.48 0.00 3.00 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.82 4.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.08 0.94 0.00 0.00 32 K 9.11 4.70 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 33 V 8.70 4.52 1.74 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 0.54 0.00 0.00 0.71 0.00 0.00 34 I 8.73 4.51 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.86 0.00 0.00 35 N 8.79 4.67 0.00 2.82 2.82 0.00 0.00 6.86 6.92 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 36 S 8.17 4.65 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.01 4.35 0.00 4.08 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 38 A 8.36 4.48 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 39 R 7.48 4.81 0.00 1.84 1.80 0.00 3.18 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 40 R 8.57 4.37 0.00 1.90 1.78 0.00 3.08 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 41 I 8.87 5.10 2.30 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.35 1.16 0.00 0.00 42 G 9.52 5.16 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 0.00 0.00 0.00 43 Y 9.28 6.13 0.00 3.33 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 44 G 10.04 4.58 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 0.00 0.00 0.00 45 I 8.82 5.37 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.10 1.01 0.00 0.00 46 K 9.49 4.95 0.00 1.65 1.68 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.45 7.81 47 T 8.60 5.49 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 1.25 0.00 0.00 48 T 8.48 4.28 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 1.21 0.00 0.00 49 N 8.02 5.24 0.00 2.87 2.66 0.00 0.00 7.17 7.53 0.00 0.00 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 M 8.37 4.25 0.00 2.06 2.12 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 2.61 2.57 0.00 51 K 8.12 4.10 0.00 1.89 1.87 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 52 R 8.10 4.16 0.00 1.71 1.96 0.00 2.83 0.00 0.00 2.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 53 L 7.36 5.73 0.00 1.66 1.65 0.97 0.88 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 54 G 8.20 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 0.00 0.00 0.00 0.00 55 V 8.43 5.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 56 D 9.05 5.03 0.00 2.62 2.50 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 57 P 0.00 4.89 0.00 2.29 2.09 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 58 P 0.00 4.69 0.00 2.07 2.32 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 59 C 7.05 4.37 0.00 1.31 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 0.00 0.00 0.00 60 G 5.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.64 5.28 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 1.08 0.00 0.00 1.34 0.00 0.00 62 L 9.18 4.96 0.00 1.77 1.58 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.71 4.92 0.00 2.72 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 64 P 0.00 4.40 0.00 2.05 2.04 0.00 3.78 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 2.04 2.12 0.00 65 K 9.11 3.98 0.00 1.87 1.98 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 66 E 7.91 4.45 0.00 2.11 2.03 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 2.31 2.28 0.00 67 A 8.51 5.37 1.19 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 68 V 8.56 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 0.62 0.00 0.00 1.00 0.00 0.00 69 L 8.56 5.00 0.00 1.63 1.62 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.38 4.73 0.00 1.68 1.57 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 A 9.19 4.79 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 72 V 9.19 4.63 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 1.17 0.00 0.00 1.00 0.00 0.00 73 S 9.44 5.05 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 9.37 5.19 0.00 2.68 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 75 D 9.05 4.97 0.00 2.68 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 76 A 8.60 4.61 1.32 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 77 F 8.68 5.00 0.00 3.43 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 78 A 8.92 4.15 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 79 F 8.36 4.38 0.00 2.91 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 80 G 7.82 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.97 4.02 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 82 E 7.51 4.58 0.00 2.03 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 83 D 8.42 4.28 0.00 2.55 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 84 T 8.09 4.15 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 0.56 0.00 0.00 85 N 8.66 4.69 0.00 2.64 2.82 0.00 0.00 6.85 7.75 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 86 N 7.61 5.08 0.00 2.65 2.68 0.00 0.00 6.87 8.06 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 87 D 7.96 5.60 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.28 4.95 0.00 1.82 1.94 0.00 3.08 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 89 I 8.76 4.85 1.98 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 1.26 0.76 0.93 0.00 0.00 90 T 9.44 5.02 4.30 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 1.27 0.00 0.00 91 V 9.21 4.87 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 0.98 0.00 0.00 0.93 0.00 0.00 92 E 9.57 5.53 0.00 2.31 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 93 W 8.90 6.02 0.00 3.71 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 94 T 9.35 4.95 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 1.67 0.00 0.00 95 N 8.77 5.04 0.00 2.62 2.68 0.00 0.00 6.99 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 96 T 8.55 3.37 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 0.79 0.00 0.00 97 P 0.00 4.34 0.00 2.15 2.09 0.00 2.47 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.72 0.00 98 D 8.22 4.42 0.00 2.66 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 99 G 8.42 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 0.00 0.00 0.00 100 A 6.91 3.62 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 0.00 101 A 8.48 4.35 1.32 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 0.00 102 K 8.26 4.49 0.00 1.79 1.82 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 103 Q 7.64 4.34 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 104 F 8.81 3.52 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 5.84 3.75 0.00 0.67 1.08 0.00 3.08 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.87 0.00 106 R 8.11 3.72 0.00 1.75 1.93 0.00 3.11 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 107 E 7.61 4.00 0.00 1.91 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 2.30 2.36 0.00 108 W 7.64 4.49 0.00 3.19 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 0.00 109 F 7.88 4.87 0.00 3.09 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 0.00 110 Q 7.92 4.54 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 111 G 7.82 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.61 4.38 0.00 2.67 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 0.00 113 G 7.59 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 8.16 4.61 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 115 V 8.13 4.19 1.82 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 0.18 0.00 0.00 0.55 0.00 0.00 116 R 8.13 4.23 0.00 1.02 0.66 0.00 3.09 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.16 0.00 117 R 7.86 5.10 0.00 1.59 1.58 0.00 3.26 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 118 K 9.80 4.71 0.00 2.20 1.82 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.50 7.81 119 N 8.94 5.22 0.00 2.66 2.72 0.00 0.00 6.94 7.85 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 0.00 120 L 9.16 4.64 0.00 1.47 1.51 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.63 0.00 2.00 1.93 0.00 3.72 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 2.08 2.10 0.00 122 I 8.19 4.22 1.59 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.53 -0.70 0.00 0.00 123 E 8.65 4.60 0.00 1.87 1.64 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 2.21 2.25 0.00 124 Y 8.80 4.96 0.00 3.14 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 0.00 125 N 9.48 4.98 0.00 2.86 2.77 0.00 0.00 6.53 8.46 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 0.00 126 P 0.00 4.25 0.00 1.91 1.26 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00