NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5982 8.3649 120.3121 53.3690 41.0300 174.7863 6 C 4.4940 8.0457 116.6254 58.2027 30.6877 173.5869 7 C 4.4388 8.4129 125.0798 55.2066 44.1645 173.4564 8 S 4.4882 8.4383 122.6152 57.9217 64.7604 174.4581 9 Y 3.8711 8.4676 122.7684 60.6951 38.5324 177.6700 10 E 4.0760 8.3110 119.1262 59.6527 29.5974 178.7794 11 D 4.3765 8.6092 119.1292 57.4202 40.7954 179.0880 12 R 3.7647 7.8510 118.3560 59.3062 29.6059 178.8550 13 R 3.8167 7.9660 118.3667 59.5329 29.9669 178.0581 14 E 4.0542 8.4534 118.5419 59.6926 29.5331 179.5867 15 I 3.9033 8.0142 119.6180 64.5274 37.0891 178.3891 16 R 4.1205 8.4661 118.2200 58.8710 30.1194 176.7658 17 H 4.7246 7.7926 115.6406 58.7150 30.9119 176.2626 18 I 3.8426 8.2934 122.0003 64.5197 36.9467 178.0947 19 W 4.4415 9.0234 129.1795 60.7498 30.5173 177.5849 20 D 4.5214 7.8962 116.4430 56.5788 40.4635 177.3555 21 D 4.5775 7.6446 117.1102 55.5566 41.9216 177.9622 22 V 3.7514 7.6728 112.4441 62.4534 32.5662 176.7365 23 W 4.1738 7.3224 127.6444 56.9637 30.2675 177.1458 24 S 4.2628 7.4290 114.4473 60.8672 63.5549 174.6793 25 S 4.3184 7.5110 117.7705 57.4499 63.5520 173.6396 26 S 4.6110 8.6176 115.5224 58.2333 63.2466 173.4324 27 F 4.5336 7.5118 118.7673 56.2722 40.8920 175.1629 28 T 3.7544 9.2005 116.5534 66.1987 68.4646 177.5741 29 D 3.9466 6.9988 120.5677 55.2312 41.8026 178.4688 30 R 3.7775 7.4798 118.0195 59.0227 30.0728 178.3953 31 R 3.7144 7.6007 115.0469 59.8528 29.0932 178.2476 32 V 3.4916 7.7274 118.2346 65.6312 31.4451 177.4571 33 A 3.9982 7.9972 119.8623 55.5856 18.2239 179.6821 34 I 3.5170 7.6939 117.8489 64.5611 37.2949 178.6643 35 V 3.4935 8.1180 119.2979 66.2954 31.1905 177.7717 36 R 3.9379 8.6607 118.5020 59.2456 29.7709 178.0694 37 A 3.9027 8.2513 121.1061 55.3516 18.6112 179.7511 38 V 3.2360 7.4840 116.4645 66.0748 31.5926 178.2072 39 F 3.6201 7.6939 117.3754 60.5958 38.7221 177.2636 40 D 4.6613 8.3849 118.7367 57.6065 40.4598 178.4316 41 D 4.4408 7.8408 117.9059 56.4623 41.1855 178.1236 42 L 4.0015 7.3398 120.8162 58.1382 42.0406 178.6635 43 F 4.8127 8.4060 118.1772 60.3760 38.6610 177.5692 44 K 4.1434 8.2872 118.3018 58.8138 32.0278 177.5753 45 H 4.7055 7.8579 114.6382 56.1566 31.6845 174.5910 46 Y 4.9134 8.8997 117.3741 54.5962 38.3110 174.1470 47 P 4.6220 0.0000 0.0000 65.3528 31.1563 178.3961 48 T 3.9323 8.2840 109.3556 65.1881 68.4580 175.9369 49 S 3.6319 8.1996 117.5781 60.5955 62.5359 176.1522 50 K 2.9348 7.8402 122.2747 59.4797 31.9053 177.8636 51 A 3.9110 7.5956 120.3294 55.5835 17.9684 179.3319 52 L 3.8159 7.7261 116.3271 57.1622 41.8813 178.1020 53 F 4.7745 8.0750 116.6847 57.4987 39.5371 177.8333 54 E 4.0182 7.9971 123.2057 59.0589 28.8861 178.7814 55 R 3.9617 7.9930 117.8924 58.5412 30.2036 177.6491 56 V 4.2012 7.2745 108.9047 59.7113 33.7481 175.3234 57 K 3.6985 7.9215 118.3674 57.2100 28.8125 176.8792 58 I 2.6125 7.1629 111.7050 62.5388 38.4050 177.8816 59 D 4.3404 7.8077 119.6987 55.0902 39.7692 176.3685 60 E 4.5530 7.4137 120.5937 52.8091 29.2883 174.1202 61 P 4.2517 0.0000 0.0000 65.9908 31.3173 178.1743 62 E 4.4393 8.2289 115.2986 55.6920 29.6884 177.5315 63 S 4.1782 8.2592 115.8900 62.2293 63.0751 174.6633 64 G 4.2831 8.6257 109.9939 45.6125 0.0000 175.6338 65 E 3.9943 8.3090 118.9057 58.6458 29.3913 178.7937 66 F 4.4271 8.7684 120.9754 60.6115 39.8233 177.5360 67 K 3.6324 8.2473 117.9198 59.6104 31.8087 178.7830 68 S 4.1234 8.0925 114.3747 62.1741 62.5530 175.6800 69 H 4.0876 7.7158 121.2338 58.9303 29.5586 176.7224 70 L 3.8277 7.7074 120.4401 57.9816 41.4750 179.8438 71 V 3.6590 7.7810 117.5900 66.3447 31.4000 178.0231 72 R 3.8954 8.1884 117.8662 59.3952 29.8777 179.2343 73 V 3.6685 8.0250 117.5693 66.2748 31.6348 177.3549 74 A 4.2905 8.7457 120.6378 55.9856 18.2703 179.0591 75 N 4.4068 9.7503 114.6584 56.6455 38.6396 177.9770 76 G 3.8106 8.5366 107.2497 47.4148 0.0000 175.6911 77 L 3.8265 7.8620 122.6445 57.7062 42.1532 178.5141 78 K 3.3145 8.0155 120.0702 59.5532 31.7133 178.0874 79 L 3.8485 7.8926 119.0728 58.4666 42.0714 178.5416 80 L 3.9348 7.4187 118.8618 57.5018 41.5078 179.1143 81 I 3.4564 7.4153 119.2400 64.7017 36.8967 178.3489 82 N 4.7525 7.9058 112.3986 53.5853 38.2709 175.4185 83 L 4.6273 7.9727 122.3812 54.3905 43.7509 178.0221 84 L 3.6641 7.6878 117.7148 57.3241 41.5952 177.1631 85 D 4.6443 7.8290 115.8895 54.2301 42.0804 175.7912 86 D 4.8304 8.1490 120.3429 59.5826 41.1787 181.6555 87 T 3.1037 6.6156 106.4935 61.9902 71.7116 173.1868 88 L 3.8989 7.6934 119.7769 57.2852 41.9696 180.0212 89 V 3.6637 8.2038 118.1432 65.6782 31.4548 177.6581 90 L 3.8698 7.8596 119.6755 58.4424 41.6821 178.5776 91 Q 3.9578 8.3893 118.1737 59.0099 29.0147 178.1783 92 S 4.2281 7.5613 112.7967 61.5059 62.5935 175.5456 93 H 4.0721 8.3990 120.9424 59.1432 29.2549 176.9266 94 L 3.9197 8.1732 122.2212 57.6893 42.0912 179.0569 95 G 3.6020 8.1998 106.0590 48.1690 0.0000 174.9949 96 H 4.0259 8.3204 121.1489 59.0250 29.4004 176.6187 97 L 3.9980 7.9591 120.9231 57.4083 42.0101 178.6661 98 A 4.0688 8.4061 121.4868 55.3355 18.4317 179.0291 99 D 3.9908 8.1445 116.7056 57.9201 40.6566 178.9737 100 Q 4.1848 7.8271 116.0440 57.8257 28.8834 176.9418 101 H 4.8030 9.0814 117.4539 56.0741 30.1058 176.5272 102 I 3.8050 7.5882 120.9095 64.2244 37.2006 176.8827 103 Q 4.1387 7.8332 116.1729 56.8099 28.6559 176.7196 104 R 4.2752 7.3847 119.3398 53.8083 29.1243 174.7835 105 K 3.8348 8.2843 123.5363 57.7085 32.4509 176.7653 106 G 4.0189 9.0415 113.2076 45.3439 0.0000 173.4903 107 V 4.2550 7.4704 120.5500 62.0399 30.6985 176.2650 108 T 4.3944 8.7906 118.6097 60.7959 70.9803 175.2891 109 K 4.1551 8.3832 121.5843 59.0686 32.1352 178.6226 110 E 3.9243 7.9922 119.5045 59.6432 29.7769 177.8342 111 Y 4.2258 8.0846 117.0814 61.4390 37.9191 179.2474 112 F 3.8686 8.0932 118.7667 60.6522 38.7847 177.7156 113 R 4.1325 7.9582 117.7090 59.2206 29.7084 178.7056 114 G 3.2047 8.0363 105.8699 47.4655 0.0000 175.6533 115 I 3.8764 7.9132 120.8214 63.1056 37.9841 178.2817 116 G 3.9325 8.3928 107.1854 47.9712 0.0000 175.5970 117 E 4.0888 7.8934 119.4320 59.2601 29.7022 178.5867 118 A 4.1251 7.7696 121.6341 54.8302 18.2637 179.3881 119 F 3.6921 8.2470 114.2299 60.5797 39.0293 177.8612 120 A 4.2302 7.8156 117.3616 54.1324 18.1867 178.3191 121 R 4.3409 7.9030 116.0786 57.1747 31.7449 177.5815 122 V 3.6461 7.3157 117.7363 64.9838 31.7827 177.4358 123 L 3.4911 7.6019 118.7917 57.2078 41.3197 177.8645 124 P 4.2263 0.0000 0.0000 64.8091 31.1096 176.8660 125 Q 4.3859 8.2108 117.0966 56.7694 30.1803 177.2461 126 V 3.9215 7.4206 111.8768 61.4046 32.2117 175.8167 127 L 4.5065 6.7427 116.6832 54.5080 42.9425 175.0637 128 S 4.5616 8.3411 116.3191 58.1475 65.0170 173.2426 129 C 3.7811 8.4347 115.6420 61.1230 24.5644 174.0637 130 F 4.8707 8.0105 120.5836 56.8377 40.9770 176.2181 131 N 4.5488 8.2810 129.8693 52.3307 35.4902 175.3206 132 V 3.1152 6.9782 125.9176 64.7585 32.0847 178.0824 133 D 4.2606 8.0362 119.0262 56.8624 40.9110 178.1716 134 A 3.9430 7.9630 120.5934 55.3783 18.2587 178.8453 135 W 3.9684 8.2804 126.5990 60.4109 30.6664 177.5094 136 N 4.3885 9.0812 116.4844 57.0156 38.3364 177.0409 137 R 3.8526 8.5774 119.0923 60.0307 30.1880 178.5438 138 C 4.2698 8.1945 115.5882 59.5108 38.1854 176.1244 139 F 3.5876 8.2009 123.2701 61.0829 38.8789 176.9520 140 H 3.9984 8.4592 116.0517 58.8844 28.0457 177.5516 141 R 3.8509 7.7194 119.9782 59.4631 29.6389 178.5577 142 L 3.7642 7.3294 118.1510 57.5612 41.5098 179.5764 143 V 3.3632 7.6769 118.2151 65.8922 31.2692 177.4354 144 A 3.8552 7.9709 119.3748 55.6791 18.2416 179.4107 145 R 3.8616 7.3114 114.4650 59.3454 30.1308 178.6309 146 I 3.7064 7.1283 118.9811 63.1533 37.7008 177.8569 147 A 4.4052 7.3712 120.5462 51.2877 19.1787 177.7136 148 K 3.9371 7.8393 125.3538 59.6162 32.8562 176.9387 149 D 4.8807 7.7044 114.9464 53.9061 41.5562 176.9718 150 L 4.0757 7.8135 121.2678 57.0605 41.9350 175.2320 151 P 4.4419 0.0000 0.0000 63.1333 30.8452 175.5473 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 5 D 8.36 4.60 0.00 2.78 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 6 C 8.05 4.49 0.00 3.01 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 7 C 8.41 4.44 0.00 2.84 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 8 S 8.44 4.49 0.00 4.21 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 9 Y 8.47 3.87 0.00 3.05 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 10 E 8.31 4.08 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 11 D 8.61 4.38 0.00 2.76 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 R 7.85 3.76 0.00 1.74 1.69 0.00 2.94 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 13 R 7.97 3.82 0.00 1.91 2.21 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 14 E 8.45 4.05 0.00 2.16 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 2.49 2.52 0.00 15 I 8.01 3.90 1.99 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 1.59 0.75 0.96 0.00 0.00 16 R 8.47 4.12 0.00 1.90 2.13 0.00 3.26 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 17 H 7.79 4.72 0.00 3.40 3.58 0.00 5.87 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 18 I 8.29 3.84 2.34 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 1.64 1.23 1.37 0.00 0.00 19 W 9.02 4.44 0.00 3.56 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 20 D 7.90 4.52 0.00 2.91 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 21 D 7.64 4.58 0.00 2.64 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 22 V 7.67 3.75 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 0.66 0.00 0.00 -0.08 0.00 0.00 23 W 7.32 4.17 0.00 2.33 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 24 S 7.43 4.26 0.00 3.97 3.86 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 25 S 7.51 4.32 0.00 4.01 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 26 S 8.62 4.61 0.00 3.94 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 27 F 7.51 4.53 0.00 2.89 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 28 T 9.20 3.75 4.19 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 1.14 0.00 0.00 29 D 7.00 3.95 0.00 2.76 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 30 R 7.48 3.78 0.00 1.74 1.66 0.00 3.07 0.00 0.00 3.27 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 31 R 7.60 3.71 0.00 1.70 1.32 0.00 2.81 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 32 V 7.73 3.49 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 0.81 0.00 0.00 0.87 0.00 0.00 33 A 8.00 4.00 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 34 I 7.69 3.52 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 0.83 0.00 0.00 35 V 8.12 3.49 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 1.15 0.00 0.00 1.22 0.00 0.00 36 R 8.66 3.94 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 37 A 8.25 3.90 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 38 V 7.48 3.24 1.61 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 -0.26 0.00 0.00 0.22 0.00 0.00 39 F 7.69 3.62 0.00 3.06 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 0.00 0.00 0.00 0.00 40 D 8.38 4.66 0.00 2.80 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 41 D 7.84 4.44 0.00 2.65 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 42 L 7.34 4.00 0.00 1.58 1.44 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.41 4.81 0.00 3.12 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 44 K 8.29 4.14 0.00 2.00 2.00 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 45 H 7.86 4.71 0.00 3.62 3.29 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.90 4.91 0.00 3.33 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 47 P 0.00 4.62 0.00 2.32 2.43 0.00 4.06 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 2.18 1.97 0.00 48 T 8.28 3.93 4.59 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 1.35 0.00 0.00 49 S 8.20 3.63 0.00 4.01 3.21 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 50 K 7.84 2.93 0.00 1.59 1.68 0.00 1.41 0.00 0.00 1.45 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.00 0.35 7.81 51 A 7.60 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.73 3.82 0.00 1.31 1.14 0.66 0.90 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 53 F 8.08 4.77 0.00 2.99 2.99 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 54 E 8.00 4.02 0.00 2.00 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 2.43 0.00 55 R 7.99 3.96 0.00 1.75 1.95 0.00 3.38 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 56 V 7.27 4.20 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 0.85 0.00 0.00 1.20 0.00 0.00 57 K 7.92 3.70 0.00 2.02 1.83 0.00 1.68 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.37 7.81 58 I 7.16 2.61 1.27 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 1.42 0.25 0.48 0.00 0.00 59 D 7.81 4.34 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.41 4.55 0.00 2.02 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 2.18 2.15 0.00 61 P 0.00 4.25 0.00 2.24 2.24 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 62 E 8.23 4.44 0.00 2.01 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 2.32 2.26 0.00 63 S 8.26 4.18 0.00 3.98 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.63 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 65 E 8.31 3.99 0.00 2.24 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 2.45 2.34 0.00 66 F 8.77 4.43 0.00 3.30 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.25 3.63 0.00 1.84 1.83 0.00 1.74 0.00 0.00 2.04 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.58 7.81 68 S 8.09 4.12 0.00 4.06 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 69 H 7.72 4.09 0.00 3.20 3.48 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.71 3.83 0.00 1.73 1.67 0.49 0.55 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 71 V 7.78 3.66 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 1.16 0.00 0.00 0.98 0.00 0.00 72 R 8.19 3.90 0.00 2.13 2.06 0.00 3.24 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 73 V 8.02 3.67 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 1.29 0.00 0.00 1.04 0.00 0.00 74 A 8.75 4.29 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 0.00 0.00 0.00 0.00 0.00 75 N 9.75 4.41 0.00 3.11 3.03 0.00 0.00 7.05 6.36 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 76 G 8.54 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 0.00 0.00 0.00 77 L 7.86 3.83 0.00 1.85 1.97 0.68 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.02 3.31 0.00 0.79 1.42 0.00 1.48 0.00 0.00 0.98 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.04 1.29 7.81 79 L 7.89 3.85 0.00 1.70 1.79 0.65 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.42 3.93 0.00 1.65 1.44 0.75 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 81 I 7.42 3.46 1.30 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.07 0.66 0.00 0.00 82 N 7.91 4.75 0.00 2.76 2.78 0.00 0.00 6.82 7.48 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 83 L 7.97 4.63 0.00 1.91 1.49 0.89 0.61 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 84 L 7.69 3.66 0.00 1.59 1.56 0.76 0.67 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 85 D 7.83 4.64 0.00 2.56 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 86 D 8.15 4.83 0.00 2.71 2.58 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 87 T 6.62 3.10 4.22 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 1.18 0.00 0.00 88 L 7.69 3.90 0.00 1.69 1.78 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.20 3.66 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 1.04 0.00 0.00 0.91 0.00 0.00 90 L 7.86 3.87 0.00 1.72 1.83 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.39 3.96 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 92 S 7.56 4.23 0.00 3.96 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 93 H 8.40 4.07 0.00 3.26 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.17 3.92 0.00 1.81 1.60 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.20 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 96 H 8.32 4.03 0.00 3.24 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.96 4.00 0.00 1.62 1.72 0.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.41 4.07 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 99 D 8.14 3.99 0.00 2.79 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 0.00 100 Q 7.83 4.18 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 101 H 9.08 4.80 0.00 3.28 3.45 0.00 5.81 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 0.00 102 I 7.59 3.81 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 1.38 0.62 0.90 0.00 0.00 103 Q 7.83 4.14 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 104 R 7.38 4.28 0.00 1.99 1.83 0.00 3.23 0.00 0.00 3.06 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 105 K 8.28 3.83 0.00 1.71 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 106 G 9.04 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 0.00 107 V 7.47 4.26 2.35 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 1.21 0.00 0.00 1.02 0.00 0.00 108 T 8.79 4.39 4.09 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 0.00 0.00 1.03 0.00 0.00 109 K 8.38 4.16 0.00 1.91 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.57 7.81 110 E 7.99 3.92 0.00 2.04 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 111 Y 8.08 4.23 0.00 3.17 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 0.00 112 F 8.09 3.87 0.00 3.48 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.96 4.13 0.00 1.91 2.14 0.00 3.38 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 114 G 8.04 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.91 3.88 1.77 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 1.00 0.00 0.00 116 G 8.39 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.89 4.09 0.00 2.14 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 2.48 2.73 0.00 118 A 7.77 4.13 1.17 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 0.00 0.00 119 F 8.25 3.69 0.00 2.99 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 0.00 120 A 7.82 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.90 4.34 0.00 1.97 1.85 0.00 3.28 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 122 V 7.32 3.65 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 0.81 0.00 0.00 0.76 0.00 0.00 123 L 7.60 3.49 0.00 0.58 0.17 -0.33 0.65 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 0.00 124 P 0.00 4.23 0.00 2.23 2.35 0.00 3.48 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 125 Q 8.21 4.39 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 126 V 7.42 3.92 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 0.63 0.00 0.00 0.78 0.00 0.00 127 L 6.74 4.51 0.00 1.78 1.51 0.99 0.35 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 0.00 128 S 8.34 4.56 0.00 3.89 3.86 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 0.00 129 C 8.43 3.78 0.00 3.20 3.09 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 0.00 0.00 0.00 130 F 8.01 4.87 0.00 2.85 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 0.00 131 N 8.28 4.55 0.00 2.77 2.58 0.00 0.00 6.89 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 0.00 132 V 6.98 3.12 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 0.87 0.00 0.00 1.05 0.00 0.00 133 D 8.04 4.26 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.96 3.94 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 0.00 135 W 8.28 3.97 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 9.08 4.39 0.00 3.12 2.94 0.00 0.00 7.15 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.58 3.85 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 138 C 8.19 4.27 0.00 2.76 2.91 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 0.00 139 F 8.20 3.59 0.00 2.15 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 0.00 140 H 8.46 4.00 0.00 3.48 3.33 0.00 5.88 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 0.00 141 R 7.72 3.85 0.00 1.79 1.80 0.00 3.15 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 142 L 7.33 3.76 0.00 1.35 1.32 0.53 0.97 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 0.00 143 V 7.68 3.36 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 1.13 0.00 0.00 0.50 0.00 0.00 144 A 7.97 3.86 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 0.00 145 R 7.31 3.86 0.00 1.72 1.85 0.00 3.23 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 146 I 7.13 3.71 1.72 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 1.33 0.75 0.63 0.00 0.00 147 A 7.37 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.84 3.94 0.00 1.75 1.76 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.40 7.81 149 D 7.70 4.88 0.00 2.62 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 0.00 150 L 7.81 4.08 0.00 1.61 1.65 0.62 1.20 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 0.00 151 P 0.00 4.44 0.00 2.15 2.05 0.00 3.71 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 1.97 1.98 0.00