NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4715 8.3049 118.1939 55.0925 32.7879 174.9518 2 E 4.2801 8.3783 122.7056 53.9939 31.2433 174.5569 3 P 4.5303 0.0000 0.0000 65.3485 33.5363 175.5570 4 Q 4.9502 7.7668 116.0838 54.0800 31.5447 174.9801 5 S 4.8347 8.8507 119.4168 56.1633 65.3349 173.3925 6 D 4.7294 8.7276 125.5183 53.6574 42.1905 176.5662 7 A 4.1829 8.7241 125.3748 55.8655 18.3669 179.9381 8 H 4.0235 8.2711 113.1975 58.1537 28.6239 177.8427 9 V 3.5469 7.7828 120.9857 65.9983 31.3032 177.5872 10 L 3.6510 7.7308 119.5499 57.8088 41.9265 178.6103 11 K 3.7448 8.2084 119.7939 59.7531 31.9505 178.9727 12 S 4.3775 8.5263 115.7384 61.5903 62.5027 176.6384 13 R 4.1079 8.2853 121.4284 58.9340 29.4887 178.5050 14 L 4.1860 8.1136 120.0916 58.1974 42.3666 178.3580 15 E 4.1367 8.2164 116.7867 59.0128 29.7997 178.0982 16 W 4.3326 8.7257 117.5302 58.4475 29.9846 176.8369 17 G 4.2145 7.4184 106.7525 44.4376 0.0000 171.9972 18 E 4.4983 8.5523 118.8757 54.3867 30.8266 173.2254 19 P 3.5548 0.0000 0.0000 60.8382 31.0034 176.3201 20 A 3.8884 8.4868 121.0599 52.9868 17.1577 176.9688 21 F 5.4953 7.0817 109.8390 56.8451 41.5950 174.3300 22 T 4.7674 9.4196 116.4823 62.0209 71.6047 173.1367 23 I 4.8530 8.6498 127.7017 60.3190 39.1084 174.5480 24 L 5.0442 8.9038 127.6080 53.0297 44.0975 175.3407 25 D 4.0668 8.9307 124.3399 53.4837 41.6951 176.4422 26 V 4.4338 7.6312 118.4940 60.6278 32.4373 178.5237 27 R 4.0125 7.9250 120.5457 57.0117 30.6068 176.3752 28 D 4.4118 7.2274 113.3044 52.2333 45.2782 176.7726 29 R 3.8642 8.2438 124.5917 59.5689 30.1543 179.0795 30 S 4.1526 8.6872 114.2584 62.0169 63.0412 176.5677 31 T 4.0208 8.1013 119.3383 65.9805 67.8975 175.6885 32 Y 4.3212 8.1591 122.6560 60.3088 39.1383 177.7991 33 N 4.3944 8.1012 117.3228 56.1624 38.6119 176.6898 34 D 4.5421 8.5609 120.0682 55.1415 41.1037 176.2380 35 G 4.4145 7.1658 102.4546 45.9337 0.0000 172.0674 36 H 5.3462 8.4750 121.4173 53.1412 32.9064 172.8779 37 I 3.7401 8.6170 119.7841 60.9608 38.0249 175.8048 38 M 4.3671 8.3480 126.1952 58.8593 31.8887 176.1393 39 G 4.0603 8.8866 115.5996 45.0634 0.0000 173.2153 40 A 4.5565 7.8186 121.5483 52.3908 19.1751 176.8541 41 M 4.7695 8.9168 117.8086 53.2383 34.5995 175.2516 42 A 3.7810 7.9348 122.4932 51.9814 18.9189 177.6084 43 M 4.5840 8.3249 122.1184 53.4331 34.5148 172.4684 44 P 4.3542 0.0000 0.0000 61.8330 32.1799 177.4111 45 I 3.6588 8.1432 122.6754 64.5291 37.4313 177.9527 46 E 3.7859 8.0192 117.0926 58.8831 30.0363 177.5898 47 D 4.5376 8.3995 117.5737 54.3186 41.4991 177.4013 48 L 3.7910 7.0912 120.9160 59.0825 41.9422 178.7761 49 V 3.5753 7.7365 116.9486 66.2399 31.5319 177.4996 50 D 4.3600 8.0484 117.7580 57.4578 40.8947 178.6337 51 R 3.8899 8.3085 118.5925 59.3833 30.0598 178.9708 52 A 4.0356 8.3702 120.4937 55.3790 18.1990 179.5084 53 S 4.2081 8.4835 110.7256 61.7044 62.4721 175.9066 54 S 4.3712 8.1401 114.0677 59.9813 62.2170 173.7973 55 S 4.5211 7.4300 113.7216 60.2022 65.0417 174.4034 56 L 4.3562 8.2007 120.3747 54.2687 42.2018 176.8942 57 E 4.4638 8.4732 119.6935 54.9910 31.4415 177.4106 58 K 3.8393 8.2595 118.0913 58.6458 32.2492 178.8478 59 S 4.2097 7.7904 111.0932 57.6643 63.4860 173.9940 60 R 3.9886 7.5673 123.0045 56.4284 30.2507 176.0083 61 D 4.6732 8.8751 125.0516 54.9944 40.9589 174.1570 62 I 4.9249 9.0611 125.2371 59.8180 39.4809 174.2786 63 Y 4.8574 9.1261 125.5294 56.3587 39.9153 174.8032 64 V 4.9302 8.7581 125.5098 61.3117 34.1552 174.1176 65 Y 5.0300 8.7701 124.5816 55.5497 41.4858 174.6319 66 G 4.5013 8.9862 111.1900 44.3350 0.0000 173.2639 67 A 4.1686 9.1768 122.6475 54.5444 18.6028 178.3690 68 G 4.3064 7.5914 100.0437 42.1660 0.0000 173.0291 69 D 4.4392 8.5731 118.9986 57.0807 40.5715 178.7527 70 E 3.8633 8.1214 119.4380 59.4438 29.7761 178.5346 71 Q 3.9205 8.0061 118.9577 59.3505 29.1723 178.0349 72 T 3.8228 7.9547 116.7008 66.8449 68.5107 176.5470 73 S 4.0866 8.5931 115.2247 61.3528 62.4024 175.9522 74 Q 3.8999 8.3833 122.2816 58.9883 28.8042 177.9755 75 A 3.9217 8.0262 121.7852 55.1917 18.4685 179.4929 76 V 3.4599 7.7855 116.7320 66.2322 31.4767 177.4994 77 N 4.2566 8.3054 116.6033 56.9852 38.5680 176.6850 78 L 4.0862 7.7782 118.6304 57.7109 41.9538 179.4898 79 L 4.1919 7.9533 119.1132 57.8928 41.7753 179.7988 80 R 4.8664 8.0873 117.0394 58.6547 29.0806 178.6780 81 S 4.1473 8.4465 113.9353 61.0087 62.4565 174.9807 82 A 4.3885 7.8454 120.6570 52.3191 18.4277 177.6188 83 G 3.9014 7.9607 106.4805 45.5607 0.0000 174.7755 84 F 4.1411 8.2655 118.8440 58.2332 39.2328 175.6137 85 E 3.9656 9.1841 126.7246 59.8398 29.8435 178.2251 86 H 4.7582 7.8993 119.8757 54.4307 28.0430 172.1415 87 V 4.7506 7.8428 119.0070 60.8632 34.3486 173.9342 88 S 4.9106 8.8855 123.1302 56.1838 65.7745 172.3418 89 E 4.4808 9.1665 125.1818 55.4316 31.2376 175.6707 90 L 4.9753 9.0945 128.0596 53.9541 41.5368 174.9096 91 K 4.4334 8.9033 124.4076 57.4593 32.5079 176.9532 92 G 3.9977 9.3279 112.7805 44.2411 0.0000 174.8089 93 G 3.9528 8.2673 108.3251 44.9411 0.0000 173.3704 94 L 4.0558 8.1625 117.4452 58.3463 41.9183 179.4833 95 A 4.1430 8.3160 119.9893 55.2499 18.0753 179.4615 96 A 3.9145 8.0058 118.6216 55.1404 18.6296 179.1471 97 W 4.0921 8.1131 126.6578 60.9627 30.6588 178.2748 98 K 4.0890 8.8557 118.2610 59.1738 31.3723 179.2706 99 A 4.1081 8.1596 120.8519 54.3819 18.3383 178.6407 100 I 4.1004 7.7103 109.5627 60.1930 38.5020 175.6238 101 G 3.6539 7.9169 107.9822 46.7836 0.0000 174.3592 102 G 3.1160 7.7571 105.6724 44.0798 0.0000 173.0489 103 P 4.7130 0.0000 0.0000 62.8317 32.2426 175.6719 104 T 5.2133 8.6286 113.7848 60.0646 72.5875 172.0768 105 E 4.6177 10.0243 120.8573 54.5915 34.6958 175.1586 106 G 4.2058 8.0015 106.8356 44.1863 0.0000 173.0700 107 I 4.1013 8.5553 120.3992 63.6469 38.0088 179.0582 108 I 4.0908 7.7628 120.3114 63.5210 37.0680 178.1783 109 E 4.0795 8.2220 118.6848 58.7085 29.4493 177.7450 110 S 4.4868 7.3854 113.2389 59.7311 64.0250 174.2195 111 R 4.4466 8.0926 117.0135 54.9489 30.4629 175.5525 112 T 4.5522 8.1011 111.9353 58.4415 71.5292 171.8964 113 P 4.2708 0.0000 0.0000 63.6172 30.1515 175.1401 114 A 4.4630 8.0891 125.5653 52.0020 22.0394 173.9143 115 G 3.6013 10.2759 110.5804 45.5249 0.0000 172.0957 116 A 4.2743 7.6647 123.7206 51.4655 22.0216 175.6939 117 D 4.2990 8.4478 119.0339 53.7984 43.9509 174.8352 118 D 4.6008 8.7281 126.6091 53.5197 43.4319 175.0084 119 Y 4.6795 8.2820 125.6897 56.2635 39.5981 172.8987 120 N 4.7161 7.9339 123.4990 50.5903 38.8801 172.2054 121 V 4.0861 6.7553 117.2555 60.5729 34.2632 174.6220 122 V 4.1158 8.2889 120.9322 59.7251 32.7947 175.5583 123 S 4.4512 8.1844 119.9004 56.9976 62.2978 173.3102 124 R 4.1917 7.9941 124.2587 55.7798 31.6642 173.5105 125 L 4.7914 8.4724 127.0615 53.1232 44.6809 174.8442 126 E 4.7625 8.4544 122.1606 54.8192 32.8038 175.6154 127 H 4.8834 8.3866 120.2613 53.9597 28.3952 172.5084 128 H 4.3603 8.3942 119.0723 56.7083 29.4897 175.3226 129 H 4.6082 8.0162 117.4030 55.4324 32.7858 168.8943 130 H 3.9659 9.2341 125.9845 56.5485 27.7423 173.2379 131 H 4.8671 8.1895 121.6912 54.6013 32.8422 173.4292 132 H 4.4424 8.7347 120.3501 56.3528 29.7376 174.5888 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 4.47 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.76 0.00 2 E 8.38 4.28 0.00 2.18 1.89 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 2.36 2.45 0.00 3 P 0.00 4.53 0.00 2.05 2.11 0.00 3.52 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 2.11 2.13 0.00 4 Q 7.77 4.95 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 5 S 8.85 4.83 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.73 4.73 0.00 2.70 2.47 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 7 A 8.72 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.27 4.02 0.00 3.26 3.45 0.00 5.30 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 9 V 7.78 3.55 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 1.02 0.00 0.00 0.97 0.00 0.00 10 L 7.73 3.65 0.00 1.57 1.95 -1.14 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.21 3.74 0.00 0.82 1.61 0.00 1.04 0.00 0.00 1.33 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 0.79 7.81 12 S 8.53 4.38 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.29 4.11 0.00 1.94 2.20 0.00 2.89 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 14 L 8.11 4.19 0.00 2.15 2.20 1.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.22 4.14 0.00 2.11 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 2.35 2.57 0.00 16 W 8.73 4.33 0.00 3.40 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 17 G 7.42 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.55 4.50 0.00 2.01 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 2.30 2.40 0.00 19 P 0.00 3.55 0.00 1.87 1.31 0.00 3.69 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 1.98 1.95 0.00 20 A 8.49 3.89 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 21 F 7.08 5.50 0.00 3.44 3.26 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 22 T 9.42 4.77 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 I 8.65 4.85 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.85 0.00 0.00 24 L 8.90 5.04 0.00 1.56 1.50 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.93 4.07 0.00 2.94 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 26 V 7.63 4.43 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 1.17 0.00 0.00 0.84 0.00 0.00 27 R 7.93 4.01 0.00 1.78 1.85 0.00 3.18 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 28 D 7.23 4.41 0.00 2.62 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 29 R 8.24 3.86 0.00 1.92 1.90 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 30 S 8.69 4.15 0.00 4.09 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 31 T 8.10 4.02 4.25 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 1.22 0.00 0.00 32 Y 8.16 4.32 0.00 2.91 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 N 8.10 4.39 0.00 2.93 2.88 0.00 0.00 6.98 8.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.56 4.54 0.00 2.80 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 35 G 7.17 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 0.00 0.00 0.00 0.00 36 H 8.47 5.35 0.00 3.23 3.42 0.00 5.27 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.62 3.74 1.17 0.00 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.04 0.00 0.00 38 M 8.35 4.37 0.00 2.14 2.10 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 2.78 2.54 0.00 39 G 8.89 4.06 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 0.00 0.00 0.00 40 A 7.82 4.56 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 41 M 8.92 4.77 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 42 A 7.93 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.32 4.58 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 44 P 0.00 4.35 0.00 2.12 1.91 0.00 3.54 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 45 I 8.14 3.66 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.30 0.87 0.00 0.00 46 E 8.02 3.79 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 47 D 8.40 4.54 0.00 2.73 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 48 L 7.09 3.79 0.00 1.69 1.75 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.74 3.58 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 0.99 0.00 0.00 50 D 8.05 4.36 0.00 3.07 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 51 R 8.31 3.89 0.00 1.97 1.94 0.00 3.22 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 52 A 8.37 4.04 1.06 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 0.00 0.00 53 S 8.48 4.21 0.00 4.04 4.15 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 54 S 8.14 4.37 0.00 3.97 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 0.00 55 S 7.43 4.52 0.00 3.98 3.83 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 56 L 8.20 4.36 0.00 1.92 1.77 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.47 4.46 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 58 K 8.26 3.84 0.00 1.67 1.88 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.21 1.11 7.81 59 S 7.79 4.21 0.00 3.87 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 60 R 7.57 3.99 0.00 2.06 2.14 0.00 3.39 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 61 D 8.88 4.67 0.00 3.17 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 62 I 9.06 4.92 1.93 0.00 0.00 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 1.25 0.97 0.88 0.00 0.00 63 Y 9.13 4.86 0.00 2.78 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 64 V 8.76 4.93 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 1.12 0.00 0.00 0.87 0.00 0.00 65 Y 8.77 5.03 0.00 2.99 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 66 G 8.99 4.50 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 67 A 9.18 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.59 4.31 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 0.00 69 D 8.57 4.44 0.00 2.79 2.75 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 0.00 0.00 0.00 70 E 8.12 3.86 0.00 2.03 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 2.37 0.00 71 Q 8.01 3.92 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 72 T 7.95 3.82 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 1.34 0.00 0.00 73 S 8.59 4.09 0.00 3.93 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 74 Q 8.38 3.90 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 75 A 8.03 3.92 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 76 V 7.79 3.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 77 N 8.31 4.26 0.00 2.97 3.04 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.78 4.09 0.00 1.82 1.72 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.95 4.19 0.00 1.79 1.48 0.65 0.27 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 80 R 8.09 4.87 0.00 2.10 2.32 0.00 3.06 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.57 0.00 81 S 8.45 4.15 0.00 3.94 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 0.00 82 A 7.85 4.39 1.58 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 83 G 7.96 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 84 F 8.27 4.14 0.00 3.09 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 85 E 9.18 3.97 0.00 2.06 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 2.36 2.26 0.00 86 H 7.90 4.76 0.00 3.29 3.23 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.84 4.75 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 0.65 0.00 0.00 0.96 0.00 0.00 88 S 8.89 4.91 0.00 3.60 2.96 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 89 E 9.17 4.48 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.26 0.00 90 L 9.09 4.98 0.00 1.95 1.80 1.13 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.90 4.43 0.00 1.79 1.77 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.42 7.81 92 G 9.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.16 4.06 0.00 2.17 1.83 0.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.32 4.14 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 96 A 8.01 3.91 1.43 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 97 W 8.11 4.09 0.00 3.43 3.26 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 98 K 8.86 4.09 0.00 1.89 1.89 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.75 7.81 99 A 8.16 4.11 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 0.00 100 I 7.71 4.10 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.31 0.97 0.00 0.00 101 G 7.92 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.12 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 0.00 103 P 0.00 4.71 0.00 2.28 2.08 0.00 3.61 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 2.22 2.11 0.00 104 T 8.63 5.21 4.38 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 1.53 0.00 0.00 105 E 10.02 4.62 0.00 1.45 1.67 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 2.18 2.20 0.00 106 G 8.00 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.56 4.10 1.87 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 1.30 0.82 0.91 0.00 0.00 108 I 7.76 4.09 2.19 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 1.46 1.57 0.96 0.00 0.00 109 E 8.22 4.08 0.00 1.92 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 2.31 2.46 0.00 110 S 7.39 4.49 0.00 4.16 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 0.00 111 R 8.09 4.45 0.00 1.99 2.06 0.00 2.71 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 112 T 8.10 4.55 4.25 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 1.22 0.00 0.00 113 P 0.00 4.27 0.00 2.20 2.17 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 114 A 8.09 4.46 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 0.00 115 G 10.28 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 0.00 0.00 0.00 116 A 7.66 4.27 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.45 4.30 0.00 2.58 2.53 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 0.00 118 D 8.73 4.60 0.00 2.66 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 0.00 119 Y 8.28 4.68 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.93 4.72 0.00 2.61 2.60 0.00 0.00 6.91 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 0.00 121 V 6.76 4.09 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 0.76 0.00 0.00 0.67 0.00 0.00 122 V 8.29 4.12 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 0.72 0.00 0.00 0.90 0.00 0.00 123 S 8.18 4.45 0.00 3.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.99 4.19 0.00 1.76 1.77 0.00 3.43 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 125 L 8.47 4.79 0.00 1.60 1.52 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.45 4.76 0.00 1.93 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 2.20 2.24 0.00 127 H 8.39 4.88 0.00 3.23 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.39 4.36 0.00 3.31 3.42 0.00 5.53 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.02 4.61 0.00 3.12 3.23 0.00 5.81 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 0.00 130 H 9.23 3.97 0.00 3.28 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.19 4.87 0.00 3.13 3.09 0.00 5.73 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 0.00 132 H 8.73 4.44 0.00 3.07 3.15 0.00 5.76 0.00 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