NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8438 8.3393 109.7173 45.1082 0.0000 175.7701 1 R 4.0792 8.7188 116.1166 51.2090 32.9679 172.6914 2 P 4.4121 0.0000 0.0000 61.9013 33.3673 176.6660 3 I 4.6408 7.6611 119.0863 59.6577 41.1099 174.5372 4 L 5.2186 8.3634 123.4473 53.4383 42.4923 177.6324 5 E 4.4167 8.8459 125.4319 54.9080 27.8629 174.1330 6 V 4.4498 7.6240 120.2786 60.2191 33.6864 173.6082 7 P 4.5467 0.0000 0.0000 62.2309 32.3037 175.9863 8 E 4.1395 8.7699 121.8314 58.9031 30.2542 175.7752 9 S 5.1622 7.9978 112.7344 56.3072 64.9775 172.5274 10 V 4.4684 8.8250 126.8964 61.4438 34.0872 174.1590 11 T 5.0899 8.6099 124.1435 62.2424 70.3789 174.1060 12 G 4.3622 8.4053 110.9554 44.2872 0.0000 170.8927 13 P 4.6919 0.0000 0.0000 61.6131 33.0006 175.2098 14 W 4.5399 8.1846 130.1592 57.3941 31.1685 175.9715 15 K 3.9079 8.6534 126.3064 57.5671 29.6251 174.8051 16 G 4.2832 7.6575 105.3437 44.9168 0.0000 172.0720 17 D 5.5981 8.6280 119.5447 52.6993 42.9088 176.2317 18 V 4.1896 7.6224 116.1700 61.4728 34.2830 171.9032 19 N 4.8624 8.6059 120.0408 51.3640 39.4394 173.9490 20 L 4.1933 7.9516 123.2039 53.8825 41.5675 174.6429 21 P 4.8472 0.0000 0.0000 62.2795 32.7186 176.8015 22 C 4.9505 8.5859 120.2021 56.3260 43.2044 172.7467 23 T 5.0706 8.5141 115.5865 61.2438 72.5072 171.1837 24 Y 4.9621 8.0993 118.5007 56.7219 41.1102 174.5723 25 D 4.5114 8.9840 119.8808 52.2493 42.6960 173.7973 26 P 4.4417 0.0000 0.0000 63.1851 32.2070 175.8737 27 L 4.7255 8.2561 120.4764 52.8964 44.6544 176.3351 28 Q 4.5313 8.3342 119.8327 53.3412 26.9791 174.4987 29 G 3.6794 8.6751 112.0794 45.8032 0.0000 171.8448 30 Y 4.4926 7.6474 117.6689 58.6263 36.3784 174.2661 31 T 4.5580 9.0229 114.4473 60.1209 70.7211 174.3164 32 Q 4.3844 8.8986 128.5706 56.2424 29.3706 175.8142 33 V 4.4843 8.6664 117.2623 60.6720 34.4000 175.6340 34 L 4.8511 7.4626 122.6619 54.6210 45.4771 173.9211 35 V 4.5666 8.5637 127.2248 61.3807 33.1871 173.9435 36 K 4.9047 8.9481 128.6072 54.8019 34.5170 175.7907 37 W 5.0318 8.6217 122.9064 54.2171 31.6646 174.8504 38 L 5.7627 8.8591 125.0699 51.9432 43.6521 176.2269 39 V 3.4926 8.3443 124.4762 61.4626 33.0396 175.0949 40 Q 4.7927 8.1009 125.0503 54.6482 28.4019 175.5101 41 R 4.1179 8.5627 122.4331 58.5031 31.7332 178.1978 42 G 4.1212 7.5881 115.2964 46.2841 0.0000 174.7529 43 S 4.5621 8.6641 119.0591 58.5582 63.6453 173.4879 44 D 5.0462 7.7220 119.8656 51.6154 43.6619 173.7122 45 P 4.7631 0.0000 0.0000 62.1343 33.2006 175.5213 46 V 4.6140 8.1740 111.8330 59.7156 36.2915 175.0305 47 T 4.4347 8.6726 121.0383 63.9653 67.9905 174.1618 48 I 4.5780 9.5309 118.7779 60.4523 40.7266 174.7513 49 F 4.9811 8.0448 123.4650 56.5211 43.4553 173.1131 50 L 4.5587 5.7595 118.5659 54.8154 46.2506 173.4982 51 R 4.8262 8.5456 125.1035 53.7594 33.1833 172.6635 52 D 5.0238 8.4171 127.7686 52.2963 40.8792 175.6738 53 S 4.2386 8.9354 111.4898 60.7671 63.6105 174.4196 54 S 4.6597 8.3296 115.5795 57.1947 62.6378 174.3254 55 G 3.8013 7.7498 110.2798 45.7918 0.0000 171.9655 56 D 4.3646 8.3498 118.4093 55.0923 42.5159 177.0815 57 H 4.5666 7.7551 117.3827 55.4041 31.9976 172.6729 58 I 4.4932 8.2217 124.0585 61.0627 37.8473 175.8591 59 Q 4.7154 8.6191 122.3806 55.6021 30.6114 175.5631 60 Q 4.5900 8.0250 118.3822 53.7219 32.3196 176.0514 61 A 4.0730 8.8188 125.7329 55.0593 18.6381 179.1292 62 K 4.1256 8.0723 112.3743 58.6920 32.8829 176.5196 63 Y 4.4153 7.8428 117.2549 60.8937 39.5285 176.1045 64 Q 3.7447 7.7591 116.9416 56.4789 26.2004 177.7648 65 G 4.0183 9.0558 111.8795 45.3625 0.0000 173.0421 66 R 4.3773 8.4667 118.4619 56.2421 32.2001 175.3027 67 L 4.8626 8.0735 120.3519 53.3627 42.7059 174.3158 68 H 4.7209 8.2146 119.0683 53.4321 28.9911 174.6757 69 V 3.6390 7.7887 123.0854 62.6631 32.4202 175.3860 70 S 4.3671 8.6485 123.7115 58.3163 61.5492 173.5794 71 H 4.8323 8.3776 120.1786 56.4697 30.3647 176.7585 72 K 4.1424 8.1089 118.3999 58.3842 32.1447 176.9862 73 V 4.1183 6.8963 116.3728 60.3677 32.2541 173.8382 74 P 4.1966 0.0000 0.0000 64.0537 31.7635 176.3785 75 G 2.8380 8.7831 109.9842 45.5381 0.0000 171.8936 76 D 4.9945 7.5859 117.1780 52.3119 44.0064 175.7242 77 V 4.7594 9.0382 121.1477 60.9050 32.3988 176.0340 78 S 4.4508 8.5497 117.0309 58.7812 64.0477 174.7655 79 L 4.0012 7.8704 127.5843 53.0441 38.7240 175.9383 80 Q 4.1428 7.8152 121.9688 55.3952 30.8193 175.6686 81 L 4.5908 8.0085 119.0011 54.8908 44.6600 173.6261 82 S 4.9455 8.9978 121.8895 56.1932 65.5572 174.0693 83 T 3.4134 8.1129 114.4868 64.5669 65.7138 173.0585 84 L 4.1527 7.5609 120.2651 54.9218 42.6147 177.1896 85 E 5.2337 9.7681 121.8443 54.5947 32.8503 177.3177 86 M 4.1562 8.6779 118.8657 58.8335 32.1506 178.5028 87 D 4.4940 8.1224 114.1642 55.2198 40.4190 176.4008 88 D 4.8232 7.5621 117.3137 54.2752 41.4231 176.8405 89 R 4.1353 8.0130 121.2409 56.8311 30.3313 175.5598 90 S 4.6316 8.1323 120.1164 58.9457 68.8123 175.1304 91 H 5.1973 8.1947 117.8494 55.2103 29.9441 174.3296 92 Y 5.0527 9.5431 122.1576 56.9877 40.0368 175.1451 93 T 5.0219 8.9642 119.2284 62.1409 71.7955 172.6125 94 C 3.8424 9.1597 124.5662 54.2690 44.8078 172.2157 95 E 4.8860 8.6996 126.8493 54.3802 32.4296 174.2066 96 V 4.5196 8.7485 127.4274 61.1946 34.4806 174.0671 97 T 4.9664 8.6396 124.5033 61.6155 70.9255 173.4953 98 W 5.1898 9.3437 125.7126 55.0287 32.8843 174.4486 99 Q 5.0305 9.2119 122.3411 54.6100 30.5398 176.2969 100 T 4.2655 7.6216 113.0360 59.5861 70.6830 173.1385 101 P 4.3301 0.0000 0.0000 65.9728 31.9917 178.8471 102 D 4.5357 7.7304 119.2608 57.3361 39.1165 177.0041 103 G 4.1156 7.6074 100.7992 46.2024 0.0000 172.4566 104 N 5.1864 7.6756 119.6174 51.0869 40.1160 172.5802 105 Q 4.8399 8.2119 114.4350 55.3669 33.1144 174.7577 106 V 4.6678 8.6509 113.2513 60.1004 36.7931 174.3397 107 V 4.9503 8.3946 122.0717 61.5163 34.2875 174.5035 108 R 4.9624 9.2042 127.1087 54.4462 32.6923 174.8666 109 D 5.3516 8.6701 121.8018 51.6467 42.5480 174.7131 110 K 4.8147 9.0730 119.3384 54.8814 36.9282 175.0251 111 I 5.0956 8.2707 121.2425 60.1664 40.6120 175.3835 112 T 4.8212 9.0680 119.5035 60.9662 71.1639 172.1241 113 E 4.7504 9.7477 130.9971 55.6618 31.2644 174.6069 114 L 4.9703 9.0890 129.5605 53.8571 43.6942 175.1009 115 R 4.7287 8.6828 125.5616 54.3558 33.3019 175.2098 116 V 4.6463 8.2392 121.9228 60.5141 32.0527 175.0228 117 Q 4.4712 8.6224 129.0920 54.8161 31.7575 175.6467 118 K 4.2863 8.2404 119.3528 56.5324 32.9379 176.4596 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 0 G 8.34 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 R 8.72 4.08 0.00 1.80 1.78 0.00 3.11 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.53 0.00 2 P 0.00 4.41 0.00 1.14 1.35 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.74 0.00 3 I 7.66 4.64 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.91 0.00 0.00 4 L 8.36 5.22 0.00 1.59 1.68 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.85 4.42 0.00 1.90 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 2.31 2.35 0.00 6 V 7.62 4.45 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.02 0.00 0.00 7 P 0.00 4.55 0.00 2.12 1.99 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 8 E 8.77 4.14 0.00 2.09 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 2.42 2.35 0.00 9 S 8.00 5.16 0.00 3.91 3.72 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 10 V 8.82 4.47 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 0.92 0.00 0.00 0.96 0.00 0.00 11 T 8.61 5.09 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 1.26 0.00 0.00 12 G 8.41 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 0.00 0.00 0.00 0.00 13 P 0.00 4.69 0.00 2.15 2.13 0.00 3.77 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 2.00 1.97 0.00 14 W 8.18 4.54 0.00 3.46 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 15 K 8.65 3.91 0.00 1.51 1.61 0.00 1.35 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.14 0.21 7.81 16 G 7.66 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 17 D 8.63 5.60 0.00 2.52 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 18 V 7.62 4.19 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 0.60 0.00 0.00 0.89 0.00 0.00 19 N 8.61 4.86 0.00 2.55 2.75 0.00 0.00 6.99 7.85 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 20 L 7.95 4.19 0.00 1.17 1.61 0.36 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.85 0.00 2.00 2.01 0.00 3.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 22 C 8.59 4.95 0.00 3.15 3.31 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 23 T 8.51 5.07 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 1.25 0.00 0.00 24 Y 8.10 4.96 0.00 3.01 3.07 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 0.00 0.00 0.00 25 D 8.98 4.51 0.00 2.62 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 P 0.00 4.44 0.00 2.16 2.20 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.30 0.00 27 L 8.26 4.73 0.00 1.22 1.29 0.02 0.84 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 28 Q 8.33 4.53 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 29 G 8.68 3.68 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 0.00 30 Y 7.65 4.49 0.00 2.88 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 31 T 9.02 4.56 4.30 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 1.28 0.00 0.00 32 Q 8.90 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 33 V 8.67 4.48 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 0.75 0.00 0.00 0.95 0.00 0.00 34 L 7.46 4.85 0.00 1.66 1.38 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.56 4.57 2.27 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 1.07 0.00 0.00 0.93 0.00 0.00 36 K 8.95 4.90 0.00 1.66 1.71 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.43 7.81 37 W 8.62 5.03 0.00 3.52 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 38 L 8.86 5.76 0.00 1.63 1.67 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.34 3.49 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.27 0.00 0.00 40 Q 8.10 4.79 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 41 R 8.56 4.12 0.00 1.85 1.96 0.00 3.42 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 42 G 7.59 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 43 S 8.66 4.56 0.00 3.87 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 44 D 7.72 5.05 0.00 2.62 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 45 P 0.00 4.76 0.00 2.17 2.03 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 46 V 8.17 4.61 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 0.85 0.00 0.00 1.02 0.00 0.00 47 T 8.67 4.43 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 1.26 0.00 0.00 48 I 9.53 4.58 1.59 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.97 0.00 0.00 49 F 8.04 4.98 0.00 3.16 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 50 L 5.76 4.56 0.00 1.67 1.22 0.88 0.63 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 51 R 8.55 4.83 0.00 2.00 1.77 0.00 3.36 0.00 0.00 3.45 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 52 D 8.42 5.02 0.00 2.71 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 53 S 8.94 4.24 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.33 4.66 0.00 3.94 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 55 G 7.75 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 0.00 0.00 0.00 56 D 8.35 4.36 0.00 2.58 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 57 H 7.76 4.57 0.00 2.85 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.22 4.49 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 1.17 0.00 0.00 59 Q 8.62 4.72 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 60 Q 8.02 4.59 0.00 2.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 61 A 8.82 4.07 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 62 K 8.07 4.13 0.00 1.69 1.84 0.00 1.30 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.21 0.58 7.81 63 Y 7.84 4.42 0.00 3.23 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 64 Q 7.76 3.74 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 65 G 9.06 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 66 R 8.47 4.38 0.00 1.90 2.17 0.00 3.32 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 67 L 8.07 4.86 0.00 1.66 1.59 0.62 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.21 4.72 0.00 2.94 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.79 3.64 1.51 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 0.75 0.00 0.00 -0.41 0.00 0.00 70 S 8.65 4.37 0.00 3.84 3.74 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 71 H 8.38 4.83 0.00 3.35 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.11 4.14 0.00 1.78 1.94 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.51 7.81 73 V 6.90 4.12 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 0.73 0.00 0.00 0.91 0.00 0.00 74 P 0.00 4.20 0.00 2.07 2.00 0.00 3.77 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 2.04 2.10 0.00 75 G 8.78 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 0.00 0.00 0.00 76 D 7.59 4.99 0.00 2.50 2.62 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 77 V 9.04 4.76 2.27 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 0.86 0.00 0.00 1.11 0.00 0.00 78 S 8.55 4.45 0.00 3.79 3.75 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 79 L 7.87 4.00 0.00 0.27 0.58 -0.12 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.82 4.14 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.56 2.15 0.00 81 L 8.01 4.59 0.00 1.49 1.31 1.02 0.54 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 82 S 9.00 4.95 0.00 3.85 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 83 T 8.11 3.41 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 1.16 0.00 0.00 84 L 7.56 4.15 0.00 1.90 1.68 0.97 0.92 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 85 E 9.77 5.23 0.00 2.00 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 2.39 2.40 0.00 86 M 8.68 4.16 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 87 D 8.12 4.49 0.00 2.68 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 88 D 7.56 4.82 0.00 2.94 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 89 R 8.01 4.14 0.00 1.93 1.88 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 90 S 8.13 4.63 0.00 3.79 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.19 5.20 0.00 3.15 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 9.54 5.05 0.00 3.07 3.34 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 93 T 8.96 5.02 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 1.17 0.00 0.00 94 C 9.16 3.84 0.00 1.57 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 95 E 8.70 4.89 0.00 1.91 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 0.00 2.10 2.16 0.00 96 V 8.75 4.52 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 -0.44 0.00 0.00 0.76 0.00 0.00 97 T 8.64 4.97 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 1.19 0.00 0.00 98 W 9.34 5.19 0.00 3.25 2.88 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 99 Q 9.21 5.03 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 100 T 7.62 4.27 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 0.45 0.00 0.00 101 P 0.00 4.33 0.00 2.04 2.15 0.00 3.59 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 2.03 2.11 0.00 102 D 7.73 4.54 0.00 2.53 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 0.00 103 G 7.61 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 0.00 104 N 7.68 5.19 0.00 2.92 2.91 0.00 0.00 6.79 6.84 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 0.00 105 Q 8.21 4.84 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 106 V 8.65 4.67 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 0.69 0.00 0.00 1.06 0.00 0.00 107 V 8.39 4.95 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 0.86 0.00 0.00 0.95 0.00 0.00 108 R 9.20 4.96 0.00 2.16 1.92 0.00 3.30 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 109 D 8.67 5.35 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 9.07 4.81 0.00 1.66 1.70 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.41 7.81 111 I 8.27 5.10 1.91 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 1.25 0.62 1.04 0.00 0.00 112 T 9.07 4.82 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 113 E 9.75 4.75 0.00 2.05 1.83 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 2.28 2.34 0.00 114 L 9.09 4.97 0.00 1.72 1.84 0.87 1.02 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 0.00 115 R 8.68 4.73 0.00 1.81 1.78 0.00 3.14 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 116 V 8.24 4.65 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 1.06 0.00 0.00 0.97 0.00 0.00 117 Q 8.62 4.47 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 118 K 8.24 4.29 0.00 1.71 1.64 0.00 1.57 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.28 7.81