NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5940 8.3493 120.4234 53.5309 43.0136 174.0838 2 Y 4.0168 7.5192 121.3081 54.8134 40.4972 168.2426 3 V 3.0978 8.9539 126.8378 62.6497 31.1237 174.8556 4 C 4.5614 8.4570 129.4400 55.6396 40.3422 173.3258 5 G 3.8886 7.7226 111.4260 43.2094 0.0000 169.2841 6 P 4.2637 0.0000 0.0000 65.9177 30.9803 178.7239 7 L 3.9651 7.7778 118.1129 57.6868 41.6655 179.1400 8 Q 3.9546 8.0205 117.4902 58.9004 28.5816 179.1284 9 R 3.7346 7.9337 119.0484 59.1750 30.0967 178.8313 10 L 3.9107 7.6832 118.5770 57.7162 41.5756 179.5210 11 K 3.8562 8.0480 119.2338 59.5919 32.1429 178.8289 12 V 2.8992 7.8283 118.7402 65.6341 31.2111 177.7818 13 K 3.8850 8.4025 118.4204 59.7108 31.9795 179.1544 14 R 3.9484 8.1650 118.5393 59.7067 30.0851 178.5825 15 Q 4.2068 8.6832 118.3310 58.7098 28.7330 178.5303 16 W 4.6782 9.4005 129.7698 60.4752 30.5554 177.5333 17 A 3.9998 8.1109 119.8338 55.4690 17.8735 178.9207 18 E 3.9175 7.9413 115.7075 59.3045 30.0064 178.6252 19 A 3.6372 7.7823 120.7560 54.9502 18.1150 178.5831 20 Y 3.9056 7.5869 114.2531 59.1115 38.9266 177.5495 21 G 3.5239 7.4601 105.6752 46.5703 0.0000 175.2065 22 S 4.2951 9.1650 116.9122 58.9987 63.6305 175.0498 23 G 4.2776 7.0601 118.8118 45.9241 0.0000 171.5888 24 N 4.6517 6.8205 117.2036 54.4332 41.5463 175.8093 25 S 4.2579 7.8322 110.8373 60.1330 63.2594 176.3858 26 R 4.0603 8.2496 123.5312 59.2805 29.6406 178.4626 27 E 3.9699 8.1255 118.9598 59.4126 29.8234 178.3727 28 E 4.0873 8.2011 118.9100 59.0949 29.8590 178.2667 29 F 4.5872 8.8380 121.4690 61.2141 39.4954 177.3777 30 G 3.6086 8.7558 105.7427 48.0976 0.0000 174.7427 31 H 4.1312 8.6977 122.0748 59.0721 29.7445 176.3706 32 F 3.9269 8.8011 122.3330 62.4324 39.0914 176.3927 33 I 3.4044 7.8859 117.5324 64.7997 36.7469 177.8638 34 W 3.6697 8.0744 119.4285 59.9483 29.3434 178.6620 35 S 3.8847 8.3073 113.2103 61.6694 61.9715 175.6670 36 H 3.8084 7.9666 121.1616 59.0210 29.3907 177.0676 37 V 3.4092 7.5363 120.3096 66.2741 30.9313 178.0982 38 F 4.8405 7.6821 116.5872 60.1879 38.5077 177.8079 39 Q 4.0909 7.6655 117.4058 58.7908 28.4632 178.0049 40 H 4.5350 7.8495 116.1578 57.5979 30.4973 176.6979 41 S 4.7924 8.1685 120.0215 55.2677 62.0517 172.7776 42 P 4.4832 0.0000 0.0000 65.0294 30.9679 178.4150 43 A 3.9982 8.0878 119.9077 54.9482 18.3284 178.9050 44 A 4.0225 8.2030 119.3670 55.7592 18.2351 179.8053 45 R 3.4653 7.5533 115.3215 59.6770 29.8007 178.6733 46 D 4.3596 8.2323 117.7856 57.3395 40.8177 178.2667 47 M 4.1308 8.1926 118.1293 56.6247 32.2645 177.2590 48 F 4.7969 8.0917 118.4251 56.9309 40.3857 177.9893 49 K 3.9626 8.2018 120.5816 59.4254 32.1436 178.6146 50 R 4.1023 7.9817 117.9266 58.2164 30.3074 176.7671 51 V 4.4439 7.5000 110.8073 61.4646 32.5423 175.1227 52 R 4.0929 7.7596 112.9096 55.8006 27.6649 178.5267 53 G 3.8358 8.2627 106.2557 47.4014 0.0000 174.8991 54 D 4.2386 7.8572 119.6149 54.8790 40.2169 174.9814 55 N 4.9530 8.3197 118.3825 51.0977 39.5445 174.3609 56 I 3.0699 7.7824 118.1785 62.5277 38.1744 176.2361 57 H 4.7766 7.3019 118.5225 56.1921 28.5016 176.1222 58 T 4.7493 7.5053 115.4003 60.2077 73.4666 172.3912 59 P 4.1308 0.0000 0.0000 66.2900 31.0698 178.2946 60 A 3.9840 8.0818 119.7047 55.1249 18.3139 179.3089 61 F 3.9498 8.1780 118.2857 61.3453 39.6010 177.1971 62 R 4.0431 9.0769 118.7313 59.4598 29.6588 178.8335 63 A 4.0602 8.0412 120.9799 54.7813 18.6642 178.7694 64 H 3.9656 7.8328 116.1900 59.4087 29.8303 177.0124 65 A 3.6865 7.6286 122.6588 55.5758 18.1637 179.6119 66 T 3.9032 7.8599 113.8819 66.9850 68.5507 176.8683 67 R 4.0510 7.8854 119.6970 59.6028 30.0937 178.7849 68 V 3.6358 7.7378 117.3491 66.2154 31.5201 177.5480 69 L 4.3401 8.7163 118.6278 57.9423 41.6461 180.0573 70 G 3.8697 8.5515 105.6524 47.7746 0.0000 175.8019 71 G 3.6656 8.4345 109.1338 47.4361 0.0000 175.0883 72 L 3.7421 8.2374 123.8685 57.8299 41.9014 178.5201 73 D 3.7620 8.2708 117.8648 57.4451 41.1577 178.0093 74 M 3.9934 7.8956 118.9685 58.7003 32.0525 178.2934 75 C 3.9383 7.8532 116.4792 63.1971 28.1601 176.4578 76 I 3.4698 7.4186 119.5664 64.2870 36.6301 178.1452 77 A 4.1283 8.0314 121.1462 54.6089 18.5330 178.9287 78 L 4.2016 8.3332 116.5614 55.7007 41.7349 178.7260 79 L 3.9358 7.3639 119.3415 57.7734 41.7121 178.2236 80 D 4.4872 7.9605 115.7796 54.4962 40.3397 176.2740 81 D 4.7173 8.1440 121.7604 51.7466 40.2921 175.4951 82 E 3.8199 8.1908 124.4232 58.5022 29.8735 175.8010 83 P 4.1960 0.0000 0.0000 66.4759 31.1252 178.3843 84 V 3.5813 7.9186 118.2298 64.7030 31.3149 177.5980 85 L 3.9070 8.2527 120.7176 58.5096 41.9296 178.9409 86 N 4.1904 8.2252 116.0491 56.3991 38.5019 177.6130 87 T 3.8711 7.6044 117.4234 66.5301 68.4385 176.4611 88 Q 3.9191 8.1566 121.3079 59.3263 29.1189 177.8290 89 L 3.9375 8.6457 120.3626 57.9296 41.6449 179.5339 90 A 3.9606 8.4385 120.8118 55.4284 18.5140 178.9296 91 H 4.0220 8.0013 116.3329 59.6375 29.4539 177.3103 92 L 4.2492 8.3698 120.6402 57.6932 41.3645 179.2499 93 A 4.3294 8.1122 122.2383 54.7648 18.1510 179.9511 94 K 3.9333 7.9406 115.2728 59.5676 32.1438 179.2904 95 Q 4.1191 7.8453 116.7122 58.0801 28.6898 177.0809 96 H 4.6788 7.8660 115.2826 57.5928 29.8905 177.4315 97 E 3.3625 8.3907 117.3913 58.3975 30.8783 178.1123 98 T 3.9441 7.7641 117.0389 66.6450 69.2862 174.7941 99 R 3.7303 7.3126 117.8039 56.4898 31.1597 177.7064 100 G 3.8833 8.3167 112.4295 44.6922 0.0000 175.2540 101 V 3.9327 7.4571 111.0786 61.0803 32.3244 177.0962 102 E 4.3569 8.5718 124.5915 55.3114 30.7937 177.9339 103 A 4.0476 8.7032 121.6899 55.5829 18.4103 179.8953 104 A 4.2387 8.1314 118.5864 55.5310 18.3567 179.5122 105 H 4.3116 8.1084 114.5686 59.4473 28.8406 177.5757 106 Y 4.0423 8.3224 118.0665 60.9935 37.6563 177.9631 107 D 4.4563 8.3212 119.9440 57.8962 40.9748 178.9131 108 T 3.8328 7.9540 115.9362 66.6563 68.5076 176.5268 109 V 3.2337 7.8109 119.7939 66.1664 31.4829 177.7519 110 N 4.3013 8.6870 116.1708 56.6478 38.3762 176.5839 111 H 4.1257 8.5163 119.4602 59.3295 29.9273 176.7193 112 A 3.8142 8.3787 122.5916 55.3328 18.1588 179.5255 113 V 3.3938 7.9724 116.8075 66.6013 31.4841 178.1618 114 M 3.7159 8.0345 118.0936 58.4090 31.8134 178.4765 115 M 3.8825 8.1589 119.3381 58.3037 32.0916 178.9234 116 G 3.3329 8.6111 105.8930 47.7664 0.0000 175.7488 117 V 3.3732 7.9484 121.5169 65.4141 31.4461 177.5921 118 E 3.2490 7.8011 119.1844 59.0249 29.0973 177.9335 119 N 3.8961 7.7601 116.0804 56.7505 38.8144 176.6046 120 V 3.5825 6.9740 117.8504 65.6442 31.8984 177.5839 121 I 4.1009 7.5635 110.1056 60.6436 37.7546 176.6981 122 G 3.9935 8.2049 108.7318 45.6997 0.0000 174.8563 123 S 4.4773 8.3929 116.0386 61.0232 63.3785 175.3189 124 E 3.9596 8.2932 119.9558 58.7552 29.2072 177.6522 125 V 4.2457 6.9060 123.1969 60.4479 31.9024 175.6637 126 F 4.8094 8.1929 124.8642 57.3360 40.0974 172.1074 127 D 4.3107 8.5853 127.2325 54.1192 40.1344 176.6453 128 Q 3.5760 8.1280 128.4500 58.7670 29.3834 177.3765 129 D 4.5288 8.0961 114.0338 55.4194 41.2656 176.3974 130 A 4.5136 7.6808 120.4212 53.4474 20.6198 178.4912 131 W 3.9240 8.1109 117.1969 60.3011 29.1969 178.1270 132 K 3.9781 8.3191 118.7019 59.8640 31.5779 176.4586 133 P 4.2886 0.0000 0.0000 66.3284 31.3737 179.1491 134 C 4.2807 8.2531 116.5864 59.4852 37.9798 176.1450 135 L 3.9653 8.7422 121.0808 57.7998 41.0774 179.2220 136 N 4.3648 8.0141 116.1349 56.2182 37.9851 177.2937 137 V 3.5614 7.7886 119.6618 66.2485 31.5031 178.2820 138 I 3.7243 7.4105 119.2431 64.6157 37.0285 178.4324 139 T 3.9287 8.2462 116.8832 66.9606 68.1919 176.4829 140 N 4.5818 8.8560 117.7342 55.6907 38.5794 177.5765 141 G 3.6724 7.5270 106.4301 47.8947 0.0000 176.1308 142 I 3.7368 7.8068 122.8609 63.5066 36.7883 178.0447 143 Q 3.6240 7.9152 120.6727 59.7943 28.8335 177.1678 144 G 4.0127 7.4975 111.5833 45.8158 0.0000 173.2757 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 D 8.35 4.59 0.00 2.39 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 2 Y 7.52 4.02 0.00 2.98 2.78 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 0.00 0.00 0.00 3 V 8.95 3.10 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 0.74 0.00 0.00 0.97 0.00 0.00 4 C 8.46 4.56 0.00 2.91 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 5 G 7.72 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 0.00 0.00 0.00 6 P 0.00 4.26 0.00 2.25 2.31 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 7 L 7.78 3.97 0.00 1.69 1.73 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.02 3.95 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 9 R 7.93 3.73 0.00 1.96 1.88 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 10 L 7.68 3.91 0.00 1.90 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.05 3.86 0.00 1.83 1.94 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.46 7.81 12 V 7.83 2.90 1.71 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 -0.63 0.00 0.00 0.32 0.00 0.00 13 K 8.40 3.88 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 14 R 8.16 3.95 0.00 1.91 2.07 0.00 3.12 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 1.68 1.72 0.00 15 Q 8.68 4.21 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 16 W 9.40 4.68 0.00 3.69 3.44 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 17 A 8.11 4.00 1.48 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 18 E 7.94 3.92 0.00 2.01 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 2.24 2.29 0.00 19 A 7.78 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.59 3.91 0.00 1.43 2.40 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 21 G 7.46 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.16 4.30 0.00 3.80 3.87 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 23 G 7.06 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 0.00 0.00 0.00 0.00 24 N 6.82 4.65 0.00 2.69 2.60 0.00 0.00 6.85 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 25 S 7.83 4.26 0.00 4.03 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 26 R 8.25 4.06 0.00 1.82 2.06 0.00 2.85 0.00 0.00 2.52 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.35 0.00 27 E 8.13 3.97 0.00 2.07 1.99 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 2.46 2.42 0.00 28 E 8.20 4.09 0.00 2.12 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 0.00 2.46 2.44 0.00 29 F 8.84 4.59 0.00 3.08 3.24 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 30 G 8.76 3.61 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 0.00 0.00 0.00 31 H 8.70 4.13 0.00 3.33 3.60 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.80 3.93 0.00 3.24 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 33 I 7.89 3.40 1.66 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.38 0.19 0.00 0.00 34 W 8.07 3.67 0.00 3.54 3.22 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 35 S 8.31 3.88 0.00 3.56 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 36 H 7.97 3.81 0.00 2.64 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.54 3.41 1.60 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 0.97 0.00 0.00 0.20 0.00 0.00 38 F 7.68 4.84 0.00 3.12 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 39 Q 7.67 4.09 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 40 H 7.85 4.53 0.00 3.31 3.31 0.00 5.60 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 41 S 8.17 4.79 0.00 3.98 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 42 P 0.00 4.48 0.00 2.25 2.34 0.00 3.96 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 2.10 1.92 0.00 43 A 8.09 4.00 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 44 A 8.20 4.02 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 0.00 0.00 0.00 0.00 0.00 45 R 7.55 3.47 0.00 1.74 1.69 0.00 2.80 0.00 0.00 2.82 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.54 0.00 46 D 8.23 4.36 0.00 2.71 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 47 M 8.19 4.13 0.00 1.55 1.58 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 48 F 8.09 4.80 0.00 3.14 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 49 K 8.20 3.96 0.00 1.72 1.88 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.53 7.81 50 R 7.98 4.10 0.00 1.74 1.93 0.00 3.17 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 51 V 7.50 4.44 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 0.78 0.00 0.00 0.98 0.00 0.00 52 R 7.76 4.09 0.00 2.07 2.01 0.00 3.59 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 53 G 8.26 3.84 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 0.00 0.00 0.00 54 D 7.86 4.24 0.00 2.76 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 55 N 8.32 4.95 0.00 2.64 2.66 0.00 0.00 6.83 7.51 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 56 I 7.78 3.07 1.36 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.23 -0.07 0.00 0.00 57 H 7.30 4.78 0.00 3.20 3.38 0.00 5.79 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 58 T 7.51 4.75 4.39 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 1.28 0.00 0.00 59 P 0.00 4.13 0.00 2.28 2.37 0.00 3.75 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 2.12 2.09 0.00 60 A 8.08 3.98 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 61 F 8.18 3.95 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 9.08 4.04 0.00 2.02 2.05 0.00 3.25 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 63 A 8.04 4.06 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 64 H 7.83 3.97 0.00 2.99 2.65 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.63 3.69 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 66 T 7.86 3.90 4.43 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 1.28 0.00 0.00 67 R 7.89 4.05 0.00 1.97 1.97 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 68 V 7.74 3.64 2.42 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 1.38 0.00 0.00 0.76 0.00 0.00 69 L 8.72 4.34 0.00 2.19 2.20 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.55 3.87 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 0.00 0.00 0.00 71 G 8.43 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 0.00 0.00 0.00 72 L 8.24 3.74 0.00 1.78 1.67 0.80 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.27 3.76 0.00 2.60 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 74 M 7.90 3.99 0.00 2.11 2.23 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 2.86 2.62 0.00 75 C 7.85 3.94 0.00 2.97 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 76 I 7.42 3.47 1.40 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 1.04 0.12 0.65 0.00 0.00 77 A 8.03 4.13 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 78 L 8.33 4.20 0.00 1.79 1.67 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.36 3.94 0.00 1.73 1.69 0.75 0.95 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 80 D 7.96 4.49 0.00 2.74 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 81 D 8.14 4.72 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.82 0.00 2.09 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 2.37 2.62 0.00 83 P 0.00 4.20 0.00 2.29 2.30 0.00 3.66 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 2.45 2.04 0.00 84 V 7.92 3.58 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 0.97 0.00 0.00 1.02 0.00 0.00 85 L 8.25 3.91 0.00 1.96 1.92 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.23 4.19 0.00 2.85 2.84 0.00 0.00 7.12 6.37 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 87 T 7.60 3.87 4.43 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 1.22 0.00 0.00 88 Q 8.16 3.92 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 89 L 8.65 3.94 0.00 1.83 1.72 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 3.96 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 91 H 8.00 4.02 0.00 3.32 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.37 4.25 0.00 1.97 1.80 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.11 4.33 1.44 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 0.00 0.00 94 K 7.94 3.93 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 95 Q 7.85 4.12 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 96 H 7.87 4.68 0.00 3.47 3.43 0.00 5.83 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 97 E 8.39 3.36 0.00 2.16 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 2.32 2.42 0.00 98 T 7.76 3.94 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 99 R 7.31 3.73 0.00 2.00 1.84 0.00 3.08 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 100 G 8.32 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 0.00 0.00 0.00 101 V 7.46 3.93 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 0.77 0.00 0.00 1.24 0.00 0.00 102 E 8.57 4.36 0.00 1.82 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 2.47 2.15 0.00 103 A 8.70 4.05 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 0.00 104 A 8.13 4.24 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 0.00 105 H 8.11 4.31 0.00 3.56 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.32 4.04 0.00 3.21 3.06 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 0.00 0.00 0.00 107 D 8.32 4.46 0.00 3.01 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 0.00 108 T 7.95 3.83 4.41 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 1.19 0.00 0.00 109 V 7.81 3.23 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 0.80 0.00 0.00 0.68 0.00 0.00 110 N 8.69 4.30 0.00 3.10 2.95 0.00 0.00 6.69 8.04 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 0.00 111 H 8.52 4.13 0.00 3.22 3.60 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.38 3.81 1.12 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 0.00 113 V 7.97 3.39 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 1.16 0.00 0.00 0.81 0.00 0.00 114 M 8.03 3.72 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.74 0.00 115 M 8.16 3.88 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.60 0.00 116 G 8.61 3.33 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 0.00 117 V 7.95 3.37 1.52 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 0.83 0.00 0.00 0.63 0.00 0.00 118 E 7.80 3.25 0.00 1.16 1.49 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 2.00 1.87 0.00 119 N 7.76 3.90 0.00 2.06 2.39 0.00 0.00 7.25 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 0.00 120 V 6.97 3.58 1.87 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 0.67 0.00 0.00 0.68 0.00 0.00 121 I 7.56 4.10 1.88 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.84 0.96 0.00 0.00 122 G 8.20 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 0.00 0.00 0.00 123 S 8.39 4.48 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.29 3.96 0.00 1.98 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 2.33 2.40 0.00 125 V 6.91 4.25 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 0.73 0.00 0.00 1.05 0.00 0.00 126 F 8.19 4.81 0.00 3.02 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 0.00 127 D 8.59 4.31 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 3.58 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 129 D 8.10 4.53 0.00 2.79 2.66 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 0.00 130 A 7.68 4.51 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 0.00 131 W 8.11 3.92 0.00 3.35 3.39 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 0.00 132 K 8.32 3.98 0.00 2.00 1.97 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.63 7.81 133 P 0.00 4.29 0.00 2.41 2.39 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 134 C 8.25 4.28 0.00 2.94 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 0.00 135 L 8.74 3.97 0.00 2.08 2.00 1.29 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.01 4.36 0.00 2.95 2.87 0.00 0.00 6.61 8.60 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 0.00 137 V 7.79 3.56 2.21 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 0.99 0.00 0.00 0.97 0.00 0.00 138 I 7.41 3.72 2.02 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 1.45 0.85 0.89 0.00 0.00 139 T 8.25 3.93 4.40 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 1.05 0.00 0.00 140 N 8.86 4.58 0.00 2.61 2.82 0.00 0.00 7.12 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 0.00 141 G 7.53 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 0.00 0.00 0.00 142 I 7.81 3.74 2.10 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 1.46 1.33 0.97 0.00 0.00 143 Q 7.92 3.62 0.00 1.81 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.98 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 144 G 7.50 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