NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3677 8.1585 120.3482 55.6820 34.4626 177.2966 2 A 3.8882 8.2909 121.5505 52.7275 18.1377 177.5757 3 D 4.2961 8.8554 117.1150 57.0779 39.8729 176.9911 4 S 4.6277 8.2492 118.4494 60.4414 62.8828 176.4775 5 T 3.8570 7.3194 109.3462 65.1159 67.9921 176.0095 6 A 4.0182 7.5331 122.3249 54.6361 18.6993 179.1870 7 R 3.8404 7.9589 113.9596 59.9816 29.1323 178.7438 8 T 3.9333 7.5832 113.0044 62.8946 68.6437 175.7652 9 V 3.3738 7.2089 120.6984 63.8782 31.6496 177.7625 10 K 3.8061 8.1800 114.4499 57.0687 30.5222 178.0717 11 D 4.2312 9.1525 130.8247 55.5479 40.2561 176.9915 12 V 4.3020 7.2479 113.1193 59.4306 33.3679 175.7560 13 N 4.4088 9.0604 121.0400 53.3512 35.7430 175.3502 14 P 4.0262 0.0000 0.0000 65.1899 32.1669 178.1308 15 H 4.3902 7.9863 114.6998 59.1325 28.5588 177.8551 16 E 4.0805 8.2221 119.7962 58.9667 29.3356 179.0429 17 F 3.8222 8.0967 120.5008 61.2656 39.5658 177.2519 18 V 3.5362 8.9404 118.5919 65.7378 31.0691 178.0785 19 K 3.8826 7.4681 116.0555 59.3406 31.9798 178.8651 20 A 4.0598 7.5304 119.7317 55.3153 18.6098 178.7724 21 Y 4.4626 7.6456 118.3133 60.8584 38.4781 178.2020 22 S 4.0502 7.9208 114.6167 61.3647 62.6996 176.4455 23 A 3.7811 7.6962 123.0146 55.2266 18.5542 178.8603 24 H 4.2964 8.0576 114.2597 58.9681 28.7199 177.8788 25 L 3.9839 7.8592 120.6933 57.4893 41.1009 179.6158 26 K 4.1475 7.3091 117.7229 59.5014 31.9473 179.0335 27 R 4.0425 7.4034 117.1774 58.1429 30.4774 177.7204 28 S 4.2932 7.1938 111.5765 58.0201 63.4313 175.6883 29 G 3.8547 8.5819 110.4256 48.1615 0.0000 174.1822 30 K 4.3971 7.2509 116.6356 55.5311 30.0990 177.3584 31 M 2.8559 9.1863 124.4347 56.6577 29.2494 175.7177 32 E 3.9740 8.2916 118.5592 56.9713 29.5849 176.9244 33 L 4.3871 9.3093 123.5575 57.2212 41.6388 176.9489 34 P 3.5909 0.0000 0.0000 65.1330 27.7365 174.6073 35 E 3.7918 7.7931 112.1217 56.9030 28.0005 177.6106 36 W 4.3933 7.8248 120.2940 59.8093 29.6721 178.1252 37 V 3.7232 8.0679 111.5595 64.5680 31.1047 178.1270 38 D 4.5190 7.4521 117.5324 57.2345 40.9671 177.9778 39 I 3.7003 7.3980 118.9638 62.5466 37.0318 176.9633 40 V 4.4118 6.8839 120.3666 61.3894 31.6660 170.7882 41 K 4.1060 8.3462 128.5504 58.7288 32.9530 176.5132 42 T 4.4167 6.8219 112.2387 62.3438 70.1631 172.1460 43 A 4.4374 8.1711 124.9757 53.6412 20.1949 179.5678 44 R 4.0811 8.1412 110.2156 55.5586 32.1457 181.2805 45 F 3.2199 8.4287 118.9846 60.5592 40.3090 178.2943 46 K 3.7739 7.4319 122.0032 56.5970 32.8135 176.7214 47 E 4.2201 7.8844 117.9269 55.7037 30.4648 175.2847 48 L 4.1902 7.4703 121.0057 54.3271 41.7423 177.2393 49 P 4.3760 0.0000 0.0000 65.3222 31.3340 176.6383 50 P 4.5254 0.0000 0.0000 65.1404 31.7088 178.1078 51 Y 4.5814 8.3301 116.4862 59.6969 38.4800 177.3461 52 D 4.2945 8.7206 119.8065 56.7114 41.4539 175.6592 53 P 4.3795 0.0000 0.0000 65.7910 31.8149 177.7666 54 D 4.5400 7.8094 116.7622 55.1886 40.8735 177.2896 55 W 4.1900 8.4252 127.6916 59.0754 32.0849 177.1526 56 Y 4.5604 8.1615 118.7985 61.1087 38.3424 177.3840 57 Y 3.7601 8.0261 117.3390 61.2815 38.2855 178.1893 58 T 4.0622 7.8185 110.1509 64.3020 69.0946 176.5416 59 R 3.6153 8.2663 123.0708 58.4604 29.8030 178.3247 60 A 3.8405 7.5029 118.8475 55.1324 18.5267 179.1469 61 A 4.0724 8.5153 119.8588 55.0758 18.3909 180.0165 62 S 4.1619 7.8810 112.5967 61.8346 63.0892 176.8755 63 I 3.7785 7.5247 123.6954 63.7903 36.0762 178.3310 64 A 4.1134 7.7759 121.7704 55.1946 18.0364 179.6569 65 R 4.0937 8.1719 115.7971 59.4002 30.5163 178.4447 66 K 4.1871 7.8383 116.9412 59.5622 32.0031 179.1251 67 I 3.8097 8.0925 118.9154 64.1337 37.6577 176.8462 68 Y 4.1153 7.3681 119.9368 61.0842 38.6171 178.2378 69 L 4.2547 7.8783 117.5665 58.0368 42.1432 179.3251 70 R 4.0949 7.9733 116.7809 57.7207 30.4217 177.6082 71 Q 4.0246 7.3334 116.6024 56.5163 28.8938 176.4767 72 G 4.0483 8.3372 109.1627 43.7171 0.0000 172.8748 73 I 4.4278 8.0526 121.4072 59.0055 41.5650 174.3105 74 G 4.3263 7.7947 115.3705 43.5811 0.0000 173.2506 75 V 3.9940 8.4024 111.1831 64.4779 31.6283 178.8087 76 G 3.7276 8.0754 105.2849 47.4116 0.0000 175.7541 77 G 3.5364 7.7060 106.7459 47.5755 0.0000 175.3913 78 F 4.7521 7.4753 119.4746 60.5310 38.8763 177.8332 79 Q 4.0596 8.1160 117.4522 58.9597 28.5139 178.8189 80 K 4.0434 7.6519 118.3898 59.4735 31.9401 179.3454 81 I 3.5376 6.7956 110.6297 64.0831 37.5834 177.0885 82 Y 4.0277 6.4343 117.6097 60.1784 37.9165 176.5874 83 G 4.2780 8.1422 107.9100 45.5433 0.0000 175.3180 84 G 3.4941 8.7624 108.8409 44.4936 0.0000 175.1195 85 R 3.6213 8.7188 118.0541 56.8876 27.6818 174.9310 86 Q 4.2789 7.4351 116.1882 54.4666 30.3731 176.5224 87 R 3.8727 8.4974 122.0150 56.8219 30.2340 176.1189 88 N 4.6649 8.6803 122.5973 52.6325 39.3647 176.4112 89 G 3.6383 8.4316 109.3999 46.9520 0.0000 174.7552 90 S 4.3889 8.1783 116.0655 59.2482 61.9582 171.5757 91 R 3.9980 7.9660 117.7945 58.6823 29.9230 175.4712 92 P 4.5162 0.0000 0.0000 61.0874 32.2188 174.0075 93 P 4.2550 0.0000 0.0000 62.2764 32.0375 176.9001 94 H 4.1125 8.6301 119.0596 55.2195 27.6407 172.9216 95 F 5.1997 7.1501 113.9073 55.2704 40.4873 173.7547 96 C 4.8236 8.7535 116.6550 58.2641 31.2370 174.1855 97 K 4.9653 8.6071 124.0596 55.1736 35.8263 175.9954 98 S 4.6650 7.9999 115.9868 59.1303 63.0739 175.0379 99 S 4.7268 8.6693 121.1150 57.6893 63.3143 177.4329 100 G 3.6097 8.1730 108.3289 47.1901 0.0000 175.8270 101 A 3.9110 7.9138 122.7357 54.8797 17.9187 179.6826 102 I 3.7955 7.6244 118.0533 64.5592 37.2704 178.6920 103 S 4.2743 8.1051 114.9941 61.3713 62.9984 176.3683 104 R 3.8564 7.7083 121.9470 59.3570 29.3396 178.3251 105 N 4.3190 7.7423 114.8702 56.2597 38.1776 177.3140 106 I 3.7769 7.5642 119.0543 64.0165 37.5138 178.0200 107 L 4.1850 7.8055 119.7012 57.6186 41.1499 179.4219 108 Q 4.0377 7.9739 117.6541 59.2043 28.4216 178.9586 109 Q 4.1116 7.5484 115.7849 58.8810 28.7030 178.7663 110 L 3.9890 7.4226 120.3808 57.8443 41.5642 179.6072 111 Q 4.0045 7.8036 117.0216 58.8652 28.4290 178.8548 112 K 3.9591 7.4737 117.1268 59.7984 32.1833 178.7870 113 M 4.1979 7.5552 117.2112 57.1913 32.2073 177.0109 114 G 4.1243 7.6310 104.9841 45.1977 0.0000 174.4979 115 I 3.9013 8.1825 122.0766 63.5769 37.3316 176.0211 116 I 5.0171 7.5007 118.2934 59.3302 40.7531 174.5712 117 D 5.0484 8.5535 123.0415 51.6160 43.3358 174.3048 118 V 4.8175 8.1462 118.8814 61.0203 33.1142 174.9424 119 D 4.5494 9.1633 128.4399 53.3071 41.6946 174.9445 120 P 4.4124 0.0000 0.0000 64.1845 31.4181 176.4592 121 K 4.5470 7.9963 116.3353 56.9975 36.6423 176.3560 122 G 3.7235 9.6416 107.9416 45.2967 0.0000 174.5621 123 G 3.8856 8.0061 106.5772 44.6787 0.0000 172.3874 124 R 5.2781 8.1530 115.0319 54.8740 30.3924 175.6436 125 L 4.6985 8.3289 124.0496 53.2527 44.6517 174.8989 126 I 4.1557 8.4739 126.6552 60.8897 38.5911 176.0095 127 T 4.2878 8.0670 119.1832 60.8456 70.2530 175.9102 128 S 4.0897 8.5984 116.9745 61.8828 62.2120 176.8943 129 Q 4.1201 8.1259 120.3436 58.8643 28.3512 179.0694 130 G 3.6381 8.0632 106.6318 47.8394 0.0000 175.7329 131 R 4.0428 7.5397 120.9153 59.1172 30.1967 178.7583 132 R 3.8999 7.9632 118.2213 59.8748 29.9073 178.2213 133 D 4.4994 7.9239 117.3808 57.4380 40.8456 178.7451 134 L 3.6827 7.8268 119.4937 57.7535 41.6361 179.1973 135 D 4.3310 8.4614 118.7987 56.8339 40.7932 178.6437 136 Q 4.0293 7.5775 117.9567 58.7059 29.2608 178.0737 137 V 3.6366 7.8060 119.5650 65.8018 31.6877 177.7630 138 A 4.4026 7.9936 120.6633 54.6377 17.7964 179.6065 139 G 3.9397 7.6431 103.6707 48.4772 0.0000 175.7971 140 R 4.1133 8.5918 120.8939 58.7203 30.0310 179.3875 141 V 3.5283 7.7009 117.6926 66.0672 31.4680 177.6415 142 D 4.3127 8.1274 117.2386 57.1228 40.7764 178.1302 143 V 3.5813 7.1069 118.1329 66.2939 31.5627 177.6178 144 T 4.0319 7.8616 111.8744 64.9202 67.2340 176.1250 145 I 3.8222 7.7348 120.4165 64.0652 37.3499 175.7121 146 A 4.2468 7.5787 125.5952 52.2662 18.7089 176.7801 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 8.16 4.37 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 2 A 8.29 3.89 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 3 D 8.86 4.30 0.00 2.83 2.82 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 4 S 8.25 4.63 0.00 3.91 4.08 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 5 T 7.32 3.86 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 1.27 0.00 0.00 6 A 7.53 4.02 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 7 R 7.96 3.84 0.00 2.11 2.12 0.00 3.03 0.00 0.00 3.42 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 8 T 7.58 3.93 4.20 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 1.27 0.00 0.00 9 V 7.21 3.37 1.76 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 0.71 0.00 0.00 1.03 0.00 0.00 10 K 8.18 3.81 0.00 1.64 1.14 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.85 7.81 11 D 9.15 4.23 0.00 2.76 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 12 V 7.25 4.30 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 0.76 0.00 0.00 0.92 0.00 0.00 13 N 9.06 4.41 0.00 3.03 3.06 0.00 0.00 6.30 7.76 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 14 P 0.00 4.03 0.00 2.05 2.22 0.00 3.08 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 1.99 2.11 0.00 15 H 7.99 4.39 0.00 3.24 3.32 0.00 5.64 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 16 E 8.22 4.08 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 17 F 8.10 3.82 0.00 3.19 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 18 V 8.94 3.54 2.25 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 0.95 0.00 0.00 1.07 0.00 0.00 19 K 7.47 3.88 0.00 1.90 1.81 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 20 A 7.53 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.65 4.46 0.00 2.38 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 22 S 7.92 4.05 0.00 3.97 4.08 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 23 A 7.70 3.78 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 24 H 8.06 4.30 0.00 3.61 3.47 0.00 5.83 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 25 L 7.86 3.98 0.00 1.94 1.74 0.51 0.59 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 26 K 7.31 4.15 0.00 1.58 1.74 0.00 1.49 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.51 1.22 7.81 27 R 7.40 4.04 0.00 2.04 2.00 0.00 3.18 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 28 S 7.19 4.29 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.58 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.25 4.40 0.00 1.73 0.93 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.51 7.81 31 M 9.19 2.86 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 32 E 8.29 3.97 0.00 2.02 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 2.34 2.27 0.00 33 L 9.31 4.39 0.00 1.90 2.08 0.90 0.82 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 34 P 0.00 3.59 0.00 0.49 1.40 0.00 3.62 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 35 E 7.79 3.79 0.00 1.96 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 2.16 2.15 0.00 36 W 7.82 4.39 0.00 3.36 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 37 V 8.07 3.72 1.80 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 0.71 0.00 0.00 0.71 0.00 0.00 38 D 7.45 4.52 0.00 2.73 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 39 I 7.40 3.70 1.85 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 1.36 0.75 0.89 0.00 0.00 40 V 6.88 4.41 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 0.58 0.00 0.00 0.88 0.00 0.00 41 K 8.35 4.11 0.00 1.77 1.51 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.17 1.27 7.81 42 T 6.82 4.42 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 43 A 8.17 4.44 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 44 R 8.14 4.08 0.00 2.19 1.59 0.00 3.32 0.00 0.00 3.41 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 45 F 8.43 3.22 0.00 3.10 3.47 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 46 K 7.43 3.77 0.00 1.91 1.70 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.68 7.81 47 E 7.88 4.22 0.00 1.83 1.71 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 2.16 2.23 0.00 48 L 7.47 4.19 0.00 0.96 0.62 0.58 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.38 0.00 2.02 2.11 0.00 3.68 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 1.97 2.03 0.00 50 P 0.00 4.53 0.00 2.32 2.25 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 51 Y 8.33 4.58 0.00 3.31 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 52 D 8.72 4.29 0.00 2.73 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 53 P 0.00 4.38 0.00 2.22 2.10 0.00 4.10 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 54 D 7.81 4.54 0.00 2.99 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 55 W 8.43 4.19 0.00 3.54 3.40 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 56 Y 8.16 4.56 0.00 3.01 2.50 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 57 Y 8.03 3.76 0.00 3.10 2.89 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 58 T 7.82 4.06 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 1.25 0.00 0.00 59 R 8.27 3.62 0.00 1.35 2.18 0.00 2.99 0.00 0.00 2.77 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 60 A 7.50 3.84 1.12 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 61 A 8.52 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.16 0.00 4.14 4.18 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 63 I 7.52 3.78 1.68 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.55 0.59 0.00 0.00 64 A 7.78 4.11 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.17 4.09 0.00 1.96 2.08 0.00 3.29 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 66 K 7.84 4.19 0.00 2.28 2.00 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.73 7.81 67 I 8.09 3.81 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 1.09 0.00 0.00 68 Y 7.37 4.12 0.00 3.24 2.82 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 69 L 7.88 4.25 0.00 1.68 1.72 0.82 0.84 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 70 R 7.97 4.09 0.00 1.94 1.99 0.00 3.23 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 71 Q 7.33 4.02 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 72 G 8.34 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 0.00 0.00 0.00 73 I 8.05 4.43 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.42 1.05 0.00 0.00 74 G 7.79 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 0.00 0.00 0.00 0.00 75 V 8.40 3.99 2.17 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 1.06 0.00 0.00 0.95 0.00 0.00 76 G 8.08 3.73 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 0.00 0.00 0.00 77 G 7.71 3.54 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 0.00 0.00 0.00 78 F 7.48 4.75 0.00 3.37 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 79 Q 8.12 4.06 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.75 0.00 80 K 7.65 4.04 0.00 1.83 1.88 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.62 7.81 81 I 6.80 3.54 1.52 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.87 0.00 0.00 82 Y 6.43 4.03 0.00 3.23 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 83 G 8.14 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 84 G 8.76 3.49 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 0.00 0.00 0.00 85 R 8.72 3.62 0.00 1.94 2.00 0.00 3.30 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 86 Q 7.44 4.28 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.05 1.84 0.00 87 R 8.50 3.87 0.00 1.74 1.86 0.00 3.28 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 1.61 1.73 0.00 88 N 8.68 4.66 0.00 2.78 2.71 0.00 0.00 7.00 7.86 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 89 G 8.43 3.64 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 0.00 0.00 0.00 90 S 8.18 4.39 0.00 4.05 4.08 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 91 R 7.97 4.00 0.00 1.77 1.98 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 92 P 0.00 4.52 0.00 1.82 1.70 0.00 3.63 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 1.96 2.05 0.00 93 P 0.00 4.25 0.00 2.04 1.96 0.00 3.84 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 94 H 8.63 4.11 0.00 3.17 2.90 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 7.15 5.20 0.00 3.29 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 96 C 8.75 4.82 0.00 3.01 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 97 K 8.61 4.97 0.00 1.90 1.96 0.00 1.95 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.78 1.71 7.81 98 S 8.00 4.67 0.00 3.86 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 99 S 8.67 4.73 0.00 3.93 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 0.00 100 G 8.17 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.91 3.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.62 3.80 2.17 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.12 1.24 0.00 0.00 103 S 8.11 4.27 0.00 4.32 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 0.00 104 R 7.71 3.86 0.00 2.00 1.99 0.00 2.95 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 105 N 7.74 4.32 0.00 3.02 2.99 0.00 0.00 6.72 7.20 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 0.00 106 I 7.56 3.78 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 1.00 0.00 0.00 107 L 7.81 4.19 0.00 1.87 1.72 1.12 1.35 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 0.00 108 Q 7.97 4.04 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 109 Q 7.55 4.11 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 110 L 7.42 3.99 0.00 1.76 1.70 0.91 0.78 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 0.00 111 Q 7.80 4.00 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 112 K 7.47 3.96 0.00 1.89 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.72 1.62 7.81 113 M 7.56 4.20 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 114 G 7.63 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 0.00 115 I 8.18 3.90 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.10 0.94 0.00 0.00 116 I 7.50 5.02 1.89 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 1.42 0.61 0.96 0.00 0.00 117 D 8.55 5.05 0.00 2.68 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 0.00 118 V 8.15 4.82 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 0.82 0.00 0.00 0.98 0.00 0.00 119 D 9.16 4.55 0.00 2.76 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 0.00 120 P 0.00 4.41 0.00 2.22 2.15 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 121 K 8.00 4.55 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.38 7.81 122 G 9.64 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 0.00 0.00 0.00 123 G 8.01 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 0.00 0.00 0.00 124 R 8.15 5.28 0.00 1.88 2.18 0.00 2.84 0.00 0.00 3.87 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 125 L 8.33 4.70 0.00 1.78 1.71 0.91 0.91 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 0.00 126 I 8.47 4.16 1.90 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 0.94 0.65 0.65 0.00 0.00 127 T 8.07 4.29 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 1.26 0.00 0.00 128 S 8.60 4.09 0.00 3.88 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 0.00 129 Q 8.13 4.12 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 130 G 8.06 3.64 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 0.00 0.00 0.00 131 R 7.54 4.04 0.00 1.93 2.07 0.00 2.99 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.63 0.00 132 R 7.96 3.90 0.00 2.07 2.18 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 133 D 7.92 4.50 0.00 2.90 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 0.00 134 L 7.83 3.68 0.00 2.07 1.78 1.21 1.35 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 0.00 135 D 8.46 4.33 0.00 2.81 2.70 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 0.00 0.00 0.00 136 Q 7.58 4.03 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 137 V 7.81 3.64 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 0.81 0.00 0.00 0.68 0.00 0.00 138 A 7.99 4.40 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 0.00 139 G 7.64 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 0.00 0.00 0.00 140 R 8.59 4.11 0.00 1.81 2.00 0.00 3.34 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 141 V 7.70 3.53 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.07 0.00 0.00 142 D 8.13 4.31 0.00 2.78 2.65 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 0.00 143 V 7.11 3.58 2.32 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 0.85 0.00 0.00 0.93 0.00 0.00 144 T 7.86 4.03 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 0.00 145 I 7.73 3.82 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.94 0.92 0.00 0.00 146 A 7.58 4.25 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00