NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1099 8.0549 114.0544 60.8530 33.0332 174.9862 2 L 3.9714 8.0866 122.0053 52.6749 42.2908 176.3652 3 S 4.5490 9.0072 118.2521 57.4435 66.4967 174.9113 4 E 4.2534 8.7519 122.1132 59.4867 29.4535 178.8412 5 G 3.6869 8.1191 105.2705 47.8858 0.0000 175.3630 6 E 3.9380 8.1144 120.7870 59.0011 29.3769 179.4747 7 W 4.4280 8.1364 118.9959 59.7857 29.0563 178.3658 8 Q 4.0834 8.4409 119.6671 59.2076 28.3729 178.3064 9 L 4.0863 7.9282 119.6327 57.6314 41.6297 179.6740 10 V 3.7591 7.9758 118.1880 66.2803 31.6770 178.2413 11 L 4.3076 8.5349 118.6931 57.5092 41.1753 179.1008 12 H 4.2049 8.3197 118.3731 59.3011 30.3077 177.4291 13 V 3.7410 7.8090 121.0963 64.3926 31.3493 178.1344 14 W 3.8803 8.5131 128.9150 60.0179 30.2707 177.7976 15 A 4.0241 7.8442 120.1626 54.9365 17.8824 179.4389 16 K 3.9118 7.6637 116.9969 59.2774 31.9953 179.7799 17 V 2.8547 6.9178 118.1349 65.5953 31.1898 177.4129 18 E 3.9355 7.4415 115.6437 57.8754 29.3131 178.3289 19 A 4.1805 7.2762 120.6588 53.6477 19.9288 177.5859 20 D 4.6355 7.9067 116.4807 51.9593 42.7621 175.4729 21 V 3.4813 7.8982 124.3394 66.1505 32.1515 176.6236 22 A 4.0525 8.0492 119.8489 55.1537 18.1385 179.6677 23 G 3.5948 8.1903 105.4125 47.7998 0.0000 175.7077 24 H 4.1700 8.1738 118.8282 58.2814 28.6837 178.0640 25 G 3.6311 8.3345 107.8589 47.8737 0.0000 175.6544 26 Q 3.8532 7.8536 120.0093 58.8414 28.8057 178.4618 27 D 4.2961 7.7259 119.4143 57.5440 40.8081 179.2778 28 I 3.6515 7.7760 119.9609 64.4539 37.0907 178.5897 29 L 3.4309 7.6827 119.7536 57.5302 41.2753 179.7010 30 I 3.6280 7.7540 120.1119 64.1722 36.9565 178.4576 31 R 3.7925 7.9560 119.6194 59.1797 29.9364 178.2664 32 L 3.9375 7.8492 120.1931 58.3684 41.8762 179.0739 33 F 4.6207 7.8698 116.6903 60.5586 38.8726 177.5870 34 K 4.1740 8.1287 117.5282 59.4565 32.0008 179.3256 35 S 4.3361 8.0828 114.5924 60.1605 64.0204 174.3682 36 H 4.6650 8.0953 118.3431 51.7271 29.4308 171.5630 37 P 4.3472 0.0000 0.0000 65.5397 31.3304 177.4507 38 E 4.1086 8.2021 115.9522 59.3900 29.5165 179.1639 39 T 3.9667 8.2302 111.4815 64.5284 68.9579 176.5029 40 L 3.5340 7.9281 123.1993 57.7038 41.8349 178.4341 41 E 4.0724 7.6821 117.6297 58.5305 29.6282 178.2735 42 K 4.4229 7.9486 116.8590 56.9558 32.6939 176.5728 43 F 4.6160 8.0095 119.0489 55.4621 39.1614 175.9972 44 D 4.4071 8.6045 127.1946 57.3516 40.9327 179.6322 45 R 3.7557 7.7763 116.8235 58.3121 30.2608 177.1858 46 F 4.9942 7.4906 113.8641 56.8643 40.0436 177.3499 47 K 3.8946 7.5654 121.0253 59.7277 31.9550 178.0016 48 H 4.3133 8.1794 112.7000 57.6035 28.7975 175.3288 49 L 4.1532 7.6319 120.9395 54.8487 41.1112 176.7677 50 K 4.4641 9.4641 123.6625 56.4274 33.6388 176.8645 51 T 4.7503 7.4418 108.7577 58.8809 73.1985 174.1579 52 E 3.9241 8.6578 121.5700 59.2905 29.8176 178.8062 53 A 3.9683 7.9228 120.4506 55.1919 18.2896 179.2887 54 E 3.9368 8.1154 116.0343 59.7649 29.8539 179.1783 55 M 4.1625 8.0454 118.6815 58.4752 31.8493 179.0893 56 K 4.0069 8.2108 117.2409 58.7744 32.2743 178.4044 57 A 4.5037 7.5197 118.4320 51.5405 19.3350 177.0106 58 S 4.3416 7.4662 113.4464 57.1421 62.5152 174.3946 59 E 4.0050 8.8224 129.6149 59.2275 29.4299 177.9340 60 D 4.4135 8.1486 117.9093 57.2419 41.3608 177.8496 61 L 3.4468 7.9197 120.5090 57.7844 42.0357 178.8067 62 K 3.8678 7.9191 119.2469 59.2230 32.1994 178.6913 63 K 3.9590 8.2506 120.1434 59.8888 32.1018 178.3631 64 H 4.4554 8.5428 118.7203 59.1051 29.8007 177.2977 65 G 3.6203 8.2886 107.8205 47.8288 0.0000 175.8383 66 V 3.6294 7.6905 119.9893 66.0150 31.6435 178.2063 67 T 3.9654 7.6959 116.5527 65.9891 68.3027 176.7394 68 V 3.5923 8.0273 120.2760 66.2110 31.5835 178.2218 69 L 4.2824 8.1275 118.8392 57.7868 41.4476 179.6682 70 T 3.9750 8.2984 110.1144 64.6526 68.9043 176.7081 71 A 4.0869 8.0156 123.5662 54.8133 18.3692 179.3813 72 L 3.7477 8.1492 119.0883 57.9527 42.0753 179.3655 73 G 3.4307 8.4442 105.7625 47.7870 0.0000 175.4664 74 A 4.0241 7.6732 122.0665 54.7960 18.6814 179.6122 75 I 3.7877 7.4335 117.8136 64.5565 37.2552 178.6357 76 L 3.9430 7.8385 120.0859 57.7111 41.1609 179.7278 77 K 3.9975 7.7410 117.1168 58.5584 32.2364 178.6826 78 K 4.0012 7.6783 117.1970 54.8628 32.2901 178.7303 79 K 2.0000 7.5621 119.2880 56.9088 31.7293 176.0833 80 G 3.8839 8.1430 115.5127 47.2222 0.0000 173.4224 81 H 5.1556 8.0838 115.4457 52.4979 29.2193 173.4630 82 H 5.1997 7.4595 114.8941 54.5166 30.0152 176.4227 83 E 3.9588 8.3330 122.4617 60.5300 29.1181 178.7751 84 A 4.1228 7.9237 118.4465 55.3756 19.1307 179.0987 85 E 4.0899 8.1230 116.5581 59.2307 29.5474 179.0779 86 L 3.8466 8.0884 120.6300 57.5797 42.1228 178.7519 87 K 3.8703 7.9220 118.3898 59.3231 32.1082 177.3257 88 P 4.2673 0.0000 0.0000 65.3506 31.2692 178.4872 89 L 3.9970 7.4562 117.9826 58.1753 42.0777 178.7923 90 A 4.1170 8.2523 120.9429 55.2973 18.2931 179.6140 91 Q 3.9042 8.1147 116.6555 59.1568 28.8038 179.2598 92 S 3.9945 8.0042 115.1652 61.9034 63.0406 176.2233 93 H 4.2377 8.6664 119.5801 57.7074 28.1640 177.7019 94 A 2.6632 7.6148 122.4427 54.4166 18.6070 178.9850 95 T 3.8919 7.3736 106.2177 63.1309 69.5922 176.0362 96 K 4.0341 7.4286 120.9657 58.6926 32.7645 177.2344 97 H 4.2819 7.9811 114.3046 56.1368 29.4767 175.4504 98 K 3.3422 7.5135 117.2001 57.2494 28.6985 176.1623 99 I 4.2663 8.1925 119.0490 58.6129 38.3177 175.0037 100 P 4.5871 0.0000 0.0000 62.3223 32.0617 177.4779 101 I 3.6394 8.5344 120.6072 64.5305 36.8799 178.4456 102 K 3.6543 7.9337 119.9889 59.7600 31.9615 178.2791 103 Y 4.1350 7.9145 116.9040 60.9306 37.7946 178.3574 104 L 4.2072 7.8448 119.6501 57.5296 41.7766 178.9134 105 E 3.9949 7.9610 119.5573 59.0869 29.5374 178.7951 106 F 4.6693 7.8188 117.9259 60.8839 38.9590 177.5739 107 I 3.8995 8.2163 118.0377 63.9475 37.7484 178.1293 108 S 4.2026 8.1320 116.3989 61.5918 62.6716 176.3983 109 E 4.0923 8.5058 121.1678 59.3080 29.2183 179.2702 110 A 4.0573 8.1064 120.9430 55.0854 18.3777 179.7384 111 I 3.7070 8.0950 118.5002 64.7428 37.2706 178.7474 112 I 3.8729 7.9441 120.5904 64.5679 36.9192 177.9842 113 H 4.1359 8.4463 119.0914 59.4137 29.6935 177.5654 114 V 3.5863 7.9404 119.9905 65.9386 31.2409 177.9668 115 L 3.7374 8.0273 118.9665 57.7778 41.0289 179.0024 116 H 4.3969 8.0268 117.4809 59.4151 29.9292 177.2627 117 S 4.2084 7.8025 115.9175 61.5493 62.7612 176.3728 118 R 4.0954 7.8533 119.1371 57.4708 31.5045 176.5862 119 H 5.0161 8.2563 115.6618 53.6422 29.9017 172.6214 120 P 4.3017 0.0000 0.0000 65.8410 31.6944 179.5166 121 G 3.6875 8.1494 106.5750 47.5507 0.0000 173.6537 122 D 5.0311 8.0908 117.6736 53.9424 41.8488 176.3228 123 F 5.0140 7.9607 119.3430 56.4635 39.5176 174.3043 124 G 3.9164 7.6785 108.8455 43.7100 0.0000 171.9789 125 A 3.8881 8.4661 120.6454 55.4322 18.2090 179.6339 126 D 4.1955 7.9756 116.3391 57.5593 40.9264 178.8186 127 A 3.9889 7.7854 120.7022 55.0146 18.4070 179.2742 128 Q 3.0798 7.9413 118.6152 58.9672 29.0786 178.7680 129 G 3.4992 8.2298 106.8633 47.6274 0.0000 175.5517 130 A 3.8750 7.9918 123.1746 55.1216 18.3439 179.4436 131 M 4.0268 8.3299 116.9829 58.6008 32.2664 177.8987 132 N 4.3020 8.3507 117.3411 56.6910 39.1668 176.9044 133 K 4.1082 8.3048 120.8716 58.8871 32.1204 179.1697 134 A 3.8536 7.9575 120.9369 55.1724 18.2895 179.7126 135 L 4.1310 8.2550 117.5106 57.6232 41.2948 179.5764 136 E 4.0126 8.3617 119.1437 59.1150 29.3396 178.9292 137 L 3.9897 8.0994 120.4606 58.0610 42.1765 178.5922 138 F 4.1814 8.2690 120.5524 61.5810 39.2836 177.3641 139 R 3.5082 8.0467 117.3922 58.9198 29.8852 178.8402 140 K 3.7928 8.3339 119.7881 59.8260 31.9255 178.5725 141 D 4.3522 8.2108 119.0690 57.2989 40.6564 178.8895 142 I 3.4562 7.4289 120.2443 64.0513 36.9004 178.2095 143 A 3.6701 8.0956 121.8448 55.0232 18.2571 179.5188 144 A 3.9317 7.9481 119.2211 55.3201 18.4615 180.0508 145 K 4.0741 7.8542 116.7595 59.4211 32.0405 179.3383 146 Y 4.2912 8.2169 117.3735 61.1372 37.7205 178.4112 147 K 3.9404 8.5316 120.9041 59.3334 31.9959 178.3434 148 E 3.9718 7.8255 118.5207 59.4358 29.7485 178.6621 149 L 4.2454 7.9031 116.8833 55.6845 41.7165 177.9789 150 G 3.8467 7.6768 106.6676 45.9480 0.0000 172.8842 151 Y 4.2513 8.0192 126.1969 57.3249 38.6745 175.0874 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 V 8.05 4.11 2.15 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 0.92 0.00 0.00 0.96 0.00 0.00 2 L 8.09 3.97 0.00 0.81 0.62 0.55 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.01 4.55 0.00 4.03 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 4 E 8.75 4.25 0.00 2.19 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 0.00 2.43 2.51 0.00 5 G 8.12 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 0.00 0.00 0.00 6 E 8.11 3.94 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 7 W 8.14 4.43 0.00 3.55 3.16 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 8 Q 8.44 4.08 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 9 L 7.93 4.09 0.00 1.95 1.76 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.98 3.76 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 1.21 0.00 0.00 0.91 0.00 0.00 11 L 8.53 4.31 0.00 1.84 1.81 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.32 4.20 0.00 3.30 3.57 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.81 3.74 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.82 0.00 0.00 14 W 8.51 3.88 0.00 3.67 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.84 4.02 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 16 K 7.66 3.91 0.00 1.45 1.48 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.38 7.81 17 V 6.92 2.85 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 -0.01 0.00 0.00 0.21 0.00 0.00 18 E 7.44 3.94 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 19 A 7.28 4.18 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 20 D 7.91 4.64 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.90 3.48 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 1.07 0.00 0.00 0.90 0.00 0.00 22 A 8.05 4.05 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 23 G 8.19 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 0.00 0.00 0.00 24 H 8.17 4.17 0.00 3.28 3.23 0.00 5.83 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 25 G 8.33 3.63 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 0.00 0.00 0.00 26 Q 7.85 3.85 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 27 D 7.73 4.30 0.00 2.70 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 28 I 7.78 3.65 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.90 0.00 0.00 29 L 7.68 3.43 0.00 1.31 0.82 0.74 0.43 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 30 I 7.75 3.63 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.88 0.00 0.00 31 R 7.96 3.79 0.00 1.90 2.09 0.00 3.02 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 32 L 7.85 3.94 0.00 1.77 1.48 1.09 1.01 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 33 F 7.87 4.62 0.00 2.98 2.94 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 34 K 8.13 4.17 0.00 1.76 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.61 7.81 35 S 8.08 4.34 0.00 3.74 3.60 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 36 H 8.10 4.67 0.00 3.03 2.88 0.00 5.64 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 37 P 0.00 4.35 0.00 2.14 2.12 0.00 3.54 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 2.09 2.15 0.00 38 E 8.20 4.11 0.00 2.30 2.28 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 2.05 2.43 0.00 39 T 8.23 3.97 4.53 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 0.00 0.00 0.00 0.97 0.00 0.00 40 L 7.93 3.53 0.00 1.44 1.80 -0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.68 4.07 0.00 2.16 2.20 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 2.37 2.44 0.00 42 K 7.95 4.42 0.00 2.03 1.70 0.00 1.93 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.89 1.98 7.81 43 F 8.01 4.62 0.00 3.19 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 44 D 8.60 4.41 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.78 3.76 0.00 0.71 1.28 0.00 3.06 0.00 0.00 2.98 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 46 F 7.49 4.99 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 47 K 7.57 3.89 0.00 1.66 1.91 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.68 7.81 48 H 8.18 4.31 0.00 3.28 3.44 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.63 4.15 0.00 1.65 1.61 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.46 4.46 0.00 1.66 1.82 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.49 7.81 51 T 7.44 4.75 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 52 E 8.66 3.92 0.00 2.04 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 0.00 2.36 2.36 0.00 53 A 7.92 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.94 0.00 2.11 2.02 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 2.35 2.35 0.00 55 M 8.05 4.16 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.58 0.00 56 K 8.21 4.01 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 57 A 7.52 4.50 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 58 S 7.47 4.34 0.00 3.90 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 59 E 8.82 4.00 0.00 2.14 1.96 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 2.40 2.45 0.00 60 D 8.15 4.41 0.00 2.96 2.92 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 61 L 7.92 3.45 0.00 1.38 1.60 -0.14 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.87 0.00 1.87 1.98 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 63 K 8.25 3.96 0.00 1.92 2.12 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.54 4.46 0.00 3.65 3.56 0.00 5.85 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 G 8.29 3.62 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 0.00 0.00 0.00 66 V 7.69 3.63 2.26 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 1.12 0.00 0.00 0.99 0.00 0.00 67 T 7.70 3.97 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 1.29 0.00 0.00 68 V 8.03 3.59 2.22 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 1.10 0.00 0.00 0.97 0.00 0.00 69 L 8.13 4.28 0.00 1.81 1.87 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.30 3.97 4.29 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 1.32 0.00 0.00 71 A 8.02 4.09 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 72 L 8.15 3.75 0.00 1.58 1.58 0.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.43 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 0.00 0.00 0.00 74 A 7.67 4.02 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 75 I 7.43 3.79 1.86 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 1.54 1.01 0.92 0.00 0.00 76 L 7.84 3.94 0.00 1.36 1.54 -0.26 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 4.00 0.00 1.67 1.81 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.57 7.81 78 K 7.68 4.00 0.00 1.88 1.87 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.94 7.81 79 K 7.56 2.00 0.00 1.15 0.74 0.00 1.47 0.00 0.00 1.39 0.00 0.00 2.66 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.91 7.81 80 G 8.14 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 81 H 8.08 5.16 0.00 2.99 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.46 5.20 0.00 3.32 3.55 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.33 3.96 0.00 2.10 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 2.43 2.49 0.00 84 A 7.92 4.12 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 85 E 8.12 4.09 0.00 2.09 2.02 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 2.39 2.43 0.00 86 L 8.09 3.85 0.00 1.90 1.65 0.77 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.92 3.87 0.00 1.89 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.80 7.81 88 P 0.00 4.27 0.00 2.19 2.12 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 2.13 2.16 0.00 89 L 7.46 4.00 0.00 1.82 1.88 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.25 4.12 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 91 Q 8.11 3.90 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 92 S 8.00 3.99 0.00 3.96 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 93 H 8.67 4.24 0.00 3.50 3.57 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 94 A 7.61 2.66 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.37 3.89 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 96 K 7.43 4.03 0.00 1.56 1.68 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.35 7.81 97 H 7.98 4.28 0.00 3.00 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.51 3.34 0.00 1.84 1.83 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.32 7.81 99 I 8.19 4.27 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.98 1.14 0.00 0.00 100 P 0.00 4.59 0.00 1.97 1.93 0.00 2.94 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 0.59 1.10 0.00 101 I 8.53 3.64 1.81 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.03 0.78 0.00 0.00 102 K 7.93 3.65 0.00 1.75 1.72 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 0.69 7.81 103 Y 7.91 4.14 0.00 3.24 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 0.00 104 L 7.84 4.21 0.00 1.86 1.80 0.65 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.96 3.99 0.00 1.99 1.93 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 2.37 2.37 0.00 106 F 7.82 4.67 0.00 3.28 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 0.00 107 I 8.22 3.90 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 1.10 0.00 0.00 108 S 8.13 4.20 0.00 4.23 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 0.00 109 E 8.51 4.09 0.00 2.34 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 2.44 2.75 0.00 110 A 8.11 4.06 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 0.00 111 I 8.10 3.71 2.13 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.78 1.09 0.00 0.00 112 I 7.94 3.87 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.09 1.19 0.00 0.00 113 H 8.45 4.14 0.00 3.41 3.50 0.00 5.78 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 0.00 114 V 7.94 3.59 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 0.96 0.00 0.00 1.00 0.00 0.00 115 L 8.03 3.74 0.00 0.94 0.38 0.77 0.68 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 0.00 116 H 8.03 4.40 0.00 3.51 3.58 0.00 5.95 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 0.00 117 S 7.80 4.21 0.00 3.96 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 0.00 118 R 7.85 4.10 0.00 1.49 1.50 0.00 2.74 0.00 0.00 2.68 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 119 H 8.26 5.02 0.00 3.06 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.19 2.31 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.15 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 0.00 0.00 0.00 122 D 8.09 5.03 0.00 2.76 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 0.00 123 F 7.96 5.01 0.00 3.04 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 0.00 124 G 7.68 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 0.00 125 A 8.47 3.89 1.27 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 0.00 126 D 7.98 4.20 0.00 2.69 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 0.00 127 A 7.79 3.99 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 0.00 128 Q 7.94 3.08 0.00 1.40 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 129 G 8.23 3.50 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 0.00 130 A 7.99 3.88 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 0.00 131 M 8.33 4.03 0.00 2.43 2.43 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 132 N 8.35 4.30 0.00 2.96 2.96 0.00 0.00 7.20 6.54 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 0.00 133 K 8.30 4.11 0.00 1.84 1.66 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.45 7.81 134 A 7.96 3.85 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 0.00 135 L 8.25 4.13 0.00 1.75 1.81 0.98 0.83 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 0.00 136 E 8.36 4.01 0.00 2.19 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 2.34 2.58 0.00 137 L 8.10 3.99 0.00 1.90 2.01 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.27 4.18 0.00 3.11 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 0.00 139 R 8.05 3.51 0.00 2.05 1.85 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 140 K 8.33 3.79 0.00 1.85 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 8.21 4.35 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.43 3.46 1.39 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.09 0.12 0.00 0.00 143 A 8.10 3.67 1.26 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 0.00 144 A 7.95 3.93 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 0.00 145 K 7.85 4.07 0.00 1.99 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.59 7.81 146 Y 8.22 4.29 0.00 3.21 3.03 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 0.00 147 K 8.53 3.94 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.83 3.97 0.00 2.18 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 0.00 2.34 2.37 0.00 149 L 7.90 4.25 0.00 1.82 1.70 0.90 0.78 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 0.00 150 G 7.68 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 0.00 151 Y 8.02 4.25 0.00 2.65 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