NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5637 8.3044 120.3460 55.8343 31.9288 173.1412 2 S 4.4977 8.7770 118.5834 56.5386 65.3603 172.5276 3 Q 4.5792 8.6888 116.0969 55.7160 31.1705 173.5255 4 W 4.9942 8.3279 120.0221 56.4914 30.1436 175.6475 5 T 4.6304 8.6382 122.6139 62.0737 70.1991 174.7162 6 T 4.1320 8.4775 122.7653 63.9876 68.6558 174.1843 7 V 3.8388 9.0423 128.1401 64.0593 32.3188 176.5098 8 C 4.6822 7.2055 113.9167 58.5066 32.5770 173.2943 9 K 5.0282 8.2748 118.9830 55.6023 32.5608 178.4261 10 L 3.9074 8.7651 124.5642 58.3803 41.7531 179.1468 11 D 4.3836 7.9472 116.7374 57.1831 41.3863 177.4288 12 D 4.6680 7.5991 117.7614 55.1804 40.8375 176.2660 13 I 4.1531 6.9391 120.5364 59.6128 37.5959 175.7056 14 L 4.1418 8.3269 126.5500 53.6329 42.1535 175.1952 15 P 4.2220 0.0000 0.0000 64.3106 31.6503 176.3794 16 G 3.9053 10.4507 111.4637 46.2706 0.0000 172.7036 17 T 4.6439 7.1885 114.2859 61.8768 73.9358 172.9281 18 G 4.7233 7.4648 109.4512 46.3633 0.0000 173.0573 19 V 5.2721 7.9139 117.0735 58.2980 36.1588 174.3127 20 C 4.8646 8.5133 116.6687 57.7080 31.0780 172.7665 21 A 4.6957 8.8214 122.4847 49.9611 22.4883 175.4853 22 L 4.4202 8.5776 122.7177 54.7962 41.8728 176.2591 23 V 3.8550 8.7202 126.5619 61.6015 29.8513 174.1996 24 E 4.0319 8.0443 124.9691 55.5841 28.2674 175.2141 25 Q 4.5697 7.8815 121.6545 55.7424 32.2005 175.8605 26 Q 4.7131 7.9926 116.1573 53.8223 32.8653 174.7217 27 Q 4.8033 8.6333 121.4079 55.6767 29.8726 175.4281 28 I 4.8008 8.6836 123.8830 59.4331 41.1517 174.1910 29 A 5.3220 9.1291 128.3907 49.5873 21.8381 176.0421 30 V 4.7583 8.0071 121.3159 60.9721 33.5777 174.4156 31 F 4.6642 9.8430 128.7318 57.4261 40.0561 174.7974 32 R 4.7193 9.3190 126.1494 54.3804 30.9238 174.7951 33 P 4.4363 0.0000 0.0000 65.3629 31.7762 176.6705 34 R 4.7599 7.7144 116.2244 54.2771 33.4885 175.5677 35 N 4.6423 8.6343 115.7811 54.4296 38.5118 174.4449 36 D 4.6795 7.4595 117.1524 53.8552 42.2421 175.4557 37 E 4.1942 8.4013 118.6216 57.6878 30.0094 176.9052 38 Q 3.9646 8.7050 117.6825 55.9060 27.4019 175.2163 39 V 4.5054 7.7694 115.8586 59.4933 35.5994 174.9064 40 Y 4.6427 9.2620 118.2743 56.7661 40.3181 175.2226 41 A 5.3533 8.9054 127.5814 50.3387 19.6386 175.2192 42 I 4.7597 8.8439 114.1420 60.0772 41.8886 175.4811 43 S 4.7468 9.1397 119.3923 57.4305 62.0169 171.7477 44 N 5.0245 8.4045 121.7203 50.8317 38.8215 172.0941 45 I 4.6304 7.7872 121.9161 58.7109 40.9304 174.5411 46 D 4.8664 8.3066 124.0275 52.4352 41.7636 175.5940 47 P 4.5815 0.0000 0.0000 64.4444 31.5100 176.6830 48 F 4.5813 8.7523 119.3969 58.3624 39.6336 175.7839 49 A 4.3985 7.5869 121.1227 51.4180 20.9645 177.3315 50 Q 3.8431 8.8792 112.1713 56.3420 26.9101 172.3770 51 A 4.7766 7.3120 120.8569 50.2410 22.7696 176.4367 52 S 4.7797 8.1404 111.9470 58.6559 62.6634 176.7751 53 V 3.6357 7.6078 114.9958 64.9376 31.9082 178.4480 54 L 4.0712 7.8279 117.6251 55.8790 41.8639 177.3392 55 S 4.5967 7.9047 113.9549 58.9024 63.7997 174.6745 56 R 4.4806 7.3784 119.4586 56.0320 30.1880 177.3640 57 G 3.9589 7.7810 108.9396 45.3717 0.0000 174.5876 58 I 4.1375 8.1795 124.8754 60.3461 37.9656 176.0017 59 V 4.6350 8.4272 128.5176 62.1557 31.6770 174.4582 60 A 4.7315 8.9289 129.3274 50.5862 23.6301 174.0466 61 E 5.1767 8.5934 119.3132 55.1762 30.0748 175.4653 62 H 4.2024 8.7436 126.4133 58.3225 30.0541 174.4985 63 Q 4.5554 7.3906 117.9518 56.5003 34.8604 174.2559 64 D 4.7523 8.1402 114.7184 53.3476 43.7541 173.8508 65 D 5.1578 8.2420 117.2334 52.1535 44.4585 173.0441 66 L 4.9577 8.2671 119.1585 53.5749 42.9902 176.2340 67 W 5.2488 9.5709 124.2482 54.6198 33.4605 174.7690 68 V 4.8916 9.0278 122.0567 59.9513 33.4964 174.5079 69 A 4.5938 9.1974 128.6383 50.7023 19.8018 176.4249 70 S 4.6519 8.8748 118.7152 58.2828 62.8947 173.7790 71 P 4.3645 0.0000 0.0000 65.2367 31.6290 177.1268 72 L 4.4346 7.9390 117.0328 56.4737 42.7391 177.8973 73 K 4.0459 8.1722 117.2066 56.6543 32.4439 179.5504 74 K 4.8292 8.1288 118.0130 57.1645 32.4797 175.9207 75 Q 3.9494 7.7964 117.3379 56.9687 30.1979 176.2227 76 H 5.0788 8.5221 119.4305 54.5965 30.4035 173.8540 77 F 5.1326 8.8910 123.7699 55.5036 40.4229 175.4748 78 R 3.3534 7.6003 124.9701 55.5646 30.3099 176.5950 79 L 3.2704 7.9710 127.6364 57.9358 41.5040 177.9400 80 Y 4.4442 7.4862 114.9739 58.0463 39.1209 174.6618 81 D 4.4507 7.4476 116.7926 56.8002 42.8326 176.8206 82 G 4.1158 8.3833 107.3700 45.4527 0.0000 173.9118 83 F 4.6303 8.3838 115.0399 56.7567 38.6048 174.6245 84 C 3.8493 8.1692 120.0913 58.3161 26.9463 171.7938 85 L 3.7249 7.8777 125.9032 54.7787 42.3565 174.2396 86 E 4.5404 7.9755 117.8771 57.3439 31.9235 175.5555 87 D 4.7526 8.0534 119.4081 52.6320 42.0568 177.2286 88 G 3.9562 8.8013 118.6835 43.9155 0.0000 172.4278 89 A 4.6078 7.7186 119.3918 52.6973 19.6916 178.0832 90 Y 5.0556 7.5161 116.6762 57.5469 39.1865 174.9269 91 S 4.4984 8.4018 114.2494 58.4753 63.4932 174.3376 92 V 4.2858 7.9559 117.1614 59.8996 34.2992 174.4662 93 A 4.5007 8.0861 122.0245 50.5770 20.8549 176.2110 94 A 4.6974 8.2114 124.1893 50.4583 20.5137 175.4157 95 Y 4.4039 8.4701 118.7745 57.4601 40.0026 175.3644 96 D 5.1083 8.4425 121.4300 54.4053 42.9034 175.0352 97 T 5.7416 8.7582 112.8330 60.2086 72.2110 172.6909 98 Q 4.4764 9.6267 120.3232 54.4789 32.7565 174.1225 99 V 4.1894 8.0468 119.9385 61.7395 32.4874 174.8234 100 T 3.9685 8.5662 124.6871 63.3384 67.4313 174.7004 101 N 4.7245 7.3976 123.2501 52.1806 40.5213 175.5547 102 G 4.0212 8.6580 109.0961 45.3600 0.0000 170.5220 103 N 5.1748 7.6622 116.1864 51.1778 42.0039 173.1468 104 V 4.7230 8.0280 122.0441 61.6060 33.6423 174.6438 105 Q 5.4030 9.6017 126.3648 54.0859 32.7673 174.4077 106 I 5.2274 8.6442 114.5546 59.1715 41.3966 174.9589 107 S 3.9906 8.4278 119.4066 57.3331 61.8317 174.1090 108 I 3.7128 7.7835 122.4734 59.9821 36.2279 174.4339 109 A 4.3523 7.8149 132.0423 50.5320 18.2840 175.8602 110 D 4.5754 8.3429 120.6061 54.5453 40.0174 176.2711 111 S 4.4902 9.4010 120.1448 59.4557 64.2061 174.3162 112 D 4.5526 7.8444 120.9113 52.4887 42.7226 174.1678 113 V 4.2082 8.3982 126.3592 60.9694 33.0140 174.6510 114 A 4.8245 8.3010 128.9932 49.9301 21.9161 175.5977 115 V 4.0302 7.9334 118.7233 60.5863 32.7113 175.9518 116 D 4.4641 8.3818 121.5867 54.1720 41.8026 175.5087 117 N 4.6849 8.4283 122.0984 52.4810 38.7726 175.5158 118 S 4.5809 8.2480 115.4872 56.7577 61.3440 172.6191 119 Q 4.5311 7.9416 120.7674 52.9419 30.5408 174.3495 120 P 4.2807 0.0000 0.0000 62.3923 31.6611 176.7220 121 L 4.1775 8.3050 123.2914 53.5043 42.2954 175.0900 122 P 4.1320 0.0000 0.0000 63.3428 31.5477 175.6714 123 L 4.5233 8.2884 124.9079 53.1991 43.2792 175.7743 124 E 4.0721 8.6186 125.8767 56.6859 29.9630 176.7820 125 H 4.4717 8.6902 121.3483 54.6048 27.8309 174.2948 126 H 4.3808 8.3504 120.8031 54.8085 29.0641 175.5035 127 H 4.0739 8.9707 119.8185 56.2301 28.6014 174.1004 128 H 4.5653 8.7015 120.8981 55.2013 29.6763 172.3987 129 H 4.2719 8.6970 127.5053 55.9499 30.5662 174.0570 130 H 4.4569 8.3046 119.8780 56.0517 28.7143 175.2814 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 4.56 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.65 0.00 2 S 8.78 4.50 0.00 4.04 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 3 Q 8.69 4.58 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.60 0.00 0.00 0.00 0.00 0.00 2.11 1.73 0.00 4 W 8.33 4.99 0.00 3.17 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 5 T 8.64 4.63 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 6 T 8.48 4.13 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 1.23 0.00 0.00 7 V 9.04 3.84 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 0.77 0.00 0.00 1.01 0.00 0.00 8 C 7.21 4.68 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 9 K 8.27 5.03 0.00 1.94 1.72 0.00 2.12 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.38 7.81 10 L 8.77 3.91 0.00 1.79 1.74 0.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.95 4.38 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 12 D 7.60 4.67 0.00 2.95 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 13 I 6.94 4.15 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.93 0.00 0.00 14 L 8.33 4.14 0.00 1.71 1.60 0.92 1.08 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 15 P 0.00 4.22 0.00 2.06 2.03 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 16 G 10.45 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 0.00 0.00 0.00 17 T 7.19 4.64 4.34 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 1.20 0.00 0.00 18 G 7.46 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.91 5.27 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 0.96 0.00 0.00 0.90 0.00 0.00 20 C 8.51 4.86 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.82 4.70 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 22 L 8.58 4.42 0.00 1.65 1.61 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.72 3.86 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 24 E 8.04 4.03 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 25 Q 7.88 4.57 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 26 Q 7.99 4.71 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.27 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 27 Q 8.63 4.80 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 28 I 8.68 4.80 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.98 0.00 0.00 29 A 9.13 5.32 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.76 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 1.02 0.00 0.00 0.96 0.00 0.00 31 F 9.84 4.66 0.00 3.23 3.10 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 32 R 9.32 4.72 0.00 1.87 1.86 0.00 3.12 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 33 P 0.00 4.44 0.00 2.09 2.22 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 34 R 7.71 4.76 0.00 1.86 1.85 0.00 3.15 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 35 N 8.63 4.64 0.00 2.68 2.81 0.00 0.00 6.84 8.48 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 36 D 7.46 4.68 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.40 4.19 0.00 1.95 1.95 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 2.25 2.30 0.00 38 Q 8.71 3.96 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 39 V 7.77 4.51 2.31 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 0.80 0.00 0.00 0.99 0.00 0.00 40 Y 9.26 4.64 0.00 3.01 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 41 A 8.91 5.35 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 42 I 8.84 4.76 2.20 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.32 1.08 0.00 0.00 43 S 9.14 4.75 0.00 3.89 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 44 N 8.40 5.02 0.00 2.70 2.74 0.00 0.00 7.55 7.81 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 45 I 7.79 4.63 1.86 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 1.28 1.05 0.95 0.00 0.00 46 D 8.31 4.87 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.58 0.00 2.21 2.18 0.00 3.93 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 48 F 8.75 4.58 0.00 2.94 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 0.00 49 A 7.59 4.40 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 50 Q 8.88 3.84 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 51 A 7.31 4.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.14 4.78 0.00 3.80 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.61 3.64 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 0.92 0.00 0.00 1.04 0.00 0.00 54 L 7.83 4.07 0.00 1.58 1.54 1.00 1.07 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 55 S 7.90 4.60 0.00 3.56 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 56 R 7.38 4.48 0.00 1.79 1.89 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 57 G 7.78 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.18 4.14 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.94 0.00 0.00 59 V 8.43 4.64 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 0.93 0.00 0.00 1.13 0.00 0.00 60 A 8.93 4.73 1.24 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 61 E 8.59 5.18 0.00 2.00 1.90 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 2.28 2.49 0.00 62 H 8.74 4.20 0.00 2.43 1.38 0.00 5.97 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.39 4.56 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 64 D 8.14 4.75 0.00 2.67 2.72 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 0.00 0.00 0.00 65 D 8.24 5.16 0.00 2.87 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 66 L 8.27 4.96 0.00 1.41 1.48 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.57 5.25 0.00 3.09 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 68 V 9.03 4.89 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 0.98 0.00 0.00 1.20 0.00 0.00 69 A 9.20 4.59 1.24 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 70 S 8.87 4.65 0.00 4.47 4.11 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 0.00 0.00 0.00 0.00 71 P 0.00 4.36 0.00 2.26 2.22 0.00 3.91 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 2.05 2.11 0.00 72 L 7.94 4.43 0.00 1.70 1.75 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.17 4.05 0.00 2.06 1.87 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.05 1.20 7.81 74 K 8.13 4.83 0.00 1.90 1.97 0.00 1.56 0.00 0.00 2.43 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.46 7.81 75 Q 7.80 3.95 0.00 1.75 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 76 H 8.52 5.08 0.00 2.96 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.89 5.13 0.00 2.93 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 78 R 7.60 3.35 0.00 0.67 1.27 0.00 3.04 0.00 0.00 2.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.00 79 L 7.97 3.27 0.00 0.45 0.51 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.49 4.44 0.00 3.16 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 81 D 7.45 4.45 0.00 2.62 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 82 G 8.38 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 83 F 8.38 4.63 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.17 3.85 0.00 3.01 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 85 L 7.88 3.72 0.00 1.62 1.48 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.98 4.54 0.00 1.93 1.90 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 2.25 2.24 0.00 87 D 8.05 4.75 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.80 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.72 4.61 1.41 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 90 Y 7.52 5.06 0.00 2.83 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 91 S 8.40 4.50 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.96 4.29 2.30 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 0.54 0.00 0.00 0.94 0.00 0.00 93 A 8.09 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.21 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.47 4.40 0.00 2.98 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 96 D 8.44 5.11 0.00 2.98 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 97 T 8.76 5.74 4.36 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 1.44 0.00 0.00 98 Q 9.63 4.48 0.00 1.63 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.38 0.00 0.00 0.00 0.00 0.00 1.59 2.03 0.00 99 V 8.05 4.19 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 0.93 0.00 0.00 0.92 0.00 0.00 100 T 8.57 3.97 4.33 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 1.24 0.00 0.00 101 N 7.40 4.72 0.00 2.71 2.65 0.00 0.00 6.79 7.88 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 0.00 102 G 8.66 4.02 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 0.00 0.00 0.00 103 N 7.66 5.17 0.00 2.74 2.67 0.00 0.00 6.48 7.56 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 0.00 104 V 8.03 4.72 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 1.04 0.00 0.00 0.93 0.00 0.00 105 Q 9.60 5.40 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 106 I 8.64 5.23 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.98 1.00 0.00 0.00 107 S 8.43 3.99 0.00 2.72 3.35 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 0.00 108 I 7.78 3.71 1.69 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 1.18 0.57 0.75 0.00 0.00 109 A 7.81 4.35 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 0.00 110 D 8.34 4.58 0.00 2.76 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 0.00 111 S 9.40 4.49 0.00 3.95 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 0.00 112 D 7.84 4.55 0.00 2.59 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 0.00 113 V 8.40 4.21 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 0.99 0.00 0.00 0.91 0.00 0.00 114 A 8.30 4.82 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 V 7.93 4.03 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 0.68 0.00 0.00 0.93 0.00 0.00 116 D 8.38 4.46 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.43 4.68 0.00 2.98 2.79 0.00 0.00 5.88 7.62 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 0.00 118 S 8.25 4.58 0.00 3.82 3.80 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 0.00 0.00 0.00 0.00 119 Q 7.94 4.53 0.00 2.42 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 120 P 0.00 4.28 0.00 2.02 1.99 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 2.09 0.00 121 L 8.30 4.18 0.00 1.62 1.60 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.13 0.00 2.03 2.03 0.00 3.65 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 2.03 2.09 0.00 123 L 8.29 4.52 0.00 1.57 1.54 0.92 0.98 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 0.00 124 E 8.62 4.07 0.00 2.00 1.90 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 2.33 2.41 0.00 125 H 8.69 4.47 0.00 3.11 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 H 8.35 4.38 0.00 3.19 3.30 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.97 4.07 0.00 3.25 3.33 0.00 5.53 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.70 4.57 0.00 3.14 3.29 0.00 6.00 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 H 8.70 4.27 0.00 3.30 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.30 4.46 0.00 3.07 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00