NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2151 8.4445 119.1078 54.0018 28.6835 174.3373 4 L 3.7313 8.1479 123.6457 53.2510 41.4572 175.1571 5 T 4.1588 8.2205 118.0663 60.9080 70.1975 174.4160 6 E 4.0074 8.5397 120.4130 59.3952 29.4915 178.3095 7 E 3.7739 7.9991 120.2330 59.1385 29.4549 178.2643 8 Q 4.0941 7.5858 116.4684 57.7570 29.3830 176.8630 9 I 4.3449 8.5353 120.8884 63.7364 38.5128 177.3508 10 A 4.1365 8.1801 121.0084 55.8485 17.7366 178.6735 11 E 4.0228 7.8399 116.6158 58.9431 29.6545 178.8778 12 F 4.2076 8.5229 119.8166 60.7539 39.5257 177.0774 13 K 4.4477 8.4534 120.4022 58.8487 32.4174 178.9238 14 E 4.4989 8.4070 121.1132 56.5601 28.5858 177.3297 15 A 4.2980 7.8623 120.7946 53.9856 21.4199 178.3042 16 F 4.2658 8.6996 114.9524 60.8972 38.9540 178.6516 17 S 3.7901 7.2760 112.8329 61.2688 64.2092 175.3080 18 L 4.1250 8.0828 123.1772 56.6875 41.6626 178.7657 19 F 4.9660 7.3058 118.5380 55.4749 37.4692 174.3875 20 D 4.5122 7.7481 120.4374 53.5308 41.9587 174.6882 21 K 4.2976 8.3738 121.8468 56.0507 32.6936 176.3106 22 D 4.9991 7.7661 118.4034 51.6661 41.7048 175.6604 23 G 4.2181 8.2373 106.0625 45.4113 0.0000 174.3442 24 D 4.3855 8.1570 119.7428 57.3962 39.6849 177.0920 25 G 3.8164 6.7105 110.2406 44.6826 0.0000 172.6924 26 T 5.5193 8.4116 109.7034 58.3144 71.4815 172.9101 27 I 4.4491 7.9626 117.3487 59.2331 40.3299 174.6374 28 T 4.5072 7.8731 117.7857 60.4425 69.5575 174.5290 29 T 3.8978 8.9859 119.7829 65.5983 69.2220 177.7790 30 K 4.2649 7.5926 120.2886 59.2279 32.8785 178.2601 31 E 4.2188 7.6705 116.6084 57.7231 29.8276 178.1222 32 L 4.0380 8.3651 122.6157 58.5977 42.1209 178.2403 33 G 3.7301 8.4634 104.9385 47.9514 0.0000 175.5306 34 T 3.9153 7.9198 116.8399 66.0610 68.6530 176.1869 35 V 3.7205 8.1287 120.2983 66.1372 31.4774 177.6929 36 M 4.0679 8.1688 117.8886 58.6883 31.5452 178.4142 37 R 5.0590 7.9331 119.7192 59.5113 29.9398 178.4814 38 S 4.2563 7.9593 113.0792 61.5588 62.9697 176.3564 39 L 4.0819 8.1072 122.5618 56.1278 42.3079 176.0818 40 G 4.0072 7.9973 109.5198 45.5407 0.0000 173.7611 41 Q 4.5679 8.1610 115.8567 54.5400 33.2563 175.2249 42 N 4.9464 8.5139 118.5603 52.9367 39.1795 172.2869 43 P 4.0657 0.0000 0.0000 61.9366 31.2063 175.5434 44 T 3.8150 8.7597 113.1646 62.2737 68.6389 174.4132 45 E 4.1179 8.9102 122.7112 57.8500 29.5895 178.0701 46 A 4.4401 7.9211 121.9707 54.2247 19.1453 179.1719 47 E 4.1065 8.3974 116.5424 58.6016 29.5454 179.1122 48 L 4.2972 7.8593 118.9152 57.4829 41.8929 178.2169 49 Q 4.0423 7.9748 118.7358 58.9744 28.6359 178.3327 50 D 4.4545 7.9628 119.8478 56.7248 39.6376 178.1243 51 M 4.0341 7.5092 117.4350 58.4433 31.8592 178.0592 52 I 3.9674 7.7533 117.4245 62.6873 38.3974 176.3968 53 N 4.6621 8.0247 115.9673 54.7471 39.5287 174.2561 54 E 4.4904 7.9543 118.2257 58.2174 31.2984 177.9582 55 V 3.9143 7.5859 117.8349 63.5351 32.5248 176.0127 56 D 4.6163 7.4365 116.9841 52.8306 41.4660 173.7173 57 A 4.5145 8.0118 123.1190 51.7681 19.1623 178.9020 58 D 4.3673 7.7201 113.1358 56.0879 40.0449 176.3666 59 G 3.9892 7.3497 109.8743 45.2952 0.0000 176.4368 60 N 3.8870 7.1460 117.5976 54.4153 38.8202 177.0021 61 G 4.0996 8.6331 108.1978 44.8763 0.0000 172.2293 62 T 5.4311 7.6330 109.5156 58.9898 72.6212 172.8277 63 I 4.6112 7.9128 120.8938 60.3383 41.2476 174.8629 64 D 5.2323 9.5763 127.6633 53.1838 42.4006 176.7406 65 F 3.7394 9.3578 123.1966 61.2357 39.1117 174.8916 66 P 4.3732 0.0000 0.0000 65.9734 30.8372 178.0384 67 E 4.0355 7.9185 116.2434 58.8151 29.5429 177.9347 68 F 4.4668 8.0106 119.7173 59.6768 40.2978 177.2279 69 L 3.1487 8.0268 120.1542 58.2947 41.7258 179.3858 70 T 3.9293 7.6447 115.3442 65.7663 69.0398 176.4019 71 M 3.7531 7.5709 119.7191 59.1500 32.0919 178.8456 72 M 3.7749 7.7883 118.6822 57.6598 32.1680 180.0255 73 A 4.2937 7.3035 121.8846 52.0299 17.7546 178.0751 74 R 4.3259 9.4101 119.9002 59.2732 32.0509 176.5538 75 K 4.1468 7.2471 112.9851 57.7558 32.9206 177.0171 76 M 4.3737 7.6357 120.7217 54.3889 30.4314 174.3977 77 K 4.4606 6.7774 118.2825 57.9398 37.0130 177.9075 78 D 4.4059 7.9491 117.7718 57.7247 42.0442 178.3243 79 T 4.0171 7.8295 110.2681 62.7827 66.6222 174.7923 80 D 4.7243 8.0813 116.1247 55.1135 40.7561 177.5067 81 S 4.1739 8.7034 114.6197 59.1226 62.6428 175.3129 82 E 3.9069 7.4408 122.4707 59.4840 29.5155 178.2831 83 E 4.1523 8.1552 118.2972 59.1603 30.0168 177.7931 84 E 3.9908 8.2743 118.2267 59.9366 29.5395 179.5624 85 I 3.8743 8.0615 119.4224 64.5172 37.1062 178.2015 86 R 4.4346 8.3512 118.3641 58.3158 29.9586 177.5433 87 E 4.3478 8.1166 116.9476 58.1882 30.3295 177.9288 88 A 4.1857 8.3026 121.2403 55.2112 18.5928 178.9837 89 F 3.0062 8.7110 119.2182 61.6900 39.1712 177.6979 90 R 3.8878 7.7854 115.7799 58.9884 29.8207 179.0442 91 V 3.6842 7.5729 117.5620 66.1383 31.6775 177.7086 92 F 4.0829 8.2861 116.1181 60.0124 40.2797 176.7614 93 D 4.5132 7.5752 118.1642 53.6988 36.6989 177.0809 94 K 3.8894 7.4257 120.5365 58.7211 32.9347 177.8398 95 D 4.7470 8.0528 115.4524 52.4831 40.7634 177.0782 96 G 4.0043 8.5296 107.7465 45.2697 0.0000 173.5976 97 N 4.5805 8.3192 115.9370 52.6233 37.2697 176.2632 98 G 4.0408 8.2733 105.5262 46.5119 0.0000 173.2265 99 Y 5.1627 7.6797 116.0505 56.1118 40.9730 175.0595 100 I 4.5786 9.2951 124.8429 60.2026 39.1276 174.9424 101 S 4.8372 8.9331 121.0456 56.0017 65.5323 174.9425 102 A 4.0767 9.0060 123.4905 56.2611 17.8209 179.0647 103 A 3.9413 8.2973 118.3054 55.9768 17.7570 179.2728 104 E 3.8985 8.0837 113.9818 58.9769 29.8050 178.9701 105 L 4.1816 8.5581 121.6329 58.1971 42.2007 178.8803 106 R 3.9000 8.3156 118.5604 59.7464 29.9687 177.6943 107 H 4.3039 8.5980 115.6256 58.0001 30.0827 175.3914 108 V 4.0729 7.3402 116.7244 64.1699 33.8819 177.1274 109 M 4.1031 8.5732 120.2818 58.4844 31.5533 178.8426 110 T 4.5498 7.9260 111.1083 64.7415 68.8948 176.1927 111 N 4.2195 8.1086 118.5063 55.6332 38.5198 176.0154 112 L 4.4490 7.4937 117.9062 54.8535 42.3882 177.7767 113 G 3.8615 8.0081 105.6699 45.8731 0.0000 173.4692 114 E 4.4785 7.9952 120.8715 53.9520 31.0544 174.9915 115 K 4.7141 8.5524 125.6720 55.0604 32.6649 175.7372 116 L 4.7822 8.2039 123.7648 52.8063 44.5564 176.1905 117 T 4.2006 8.2409 116.8147 61.2606 66.7169 174.9537 118 D 4.4273 8.8720 127.7198 57.3849 40.7713 178.3873 119 E 4.3980 8.2280 118.1859 59.0177 30.0834 178.1581 120 E 4.1534 8.7791 119.1156 59.2064 29.7367 179.3691 121 V 3.7115 7.7443 117.8711 66.0145 31.4974 176.9925 122 D 4.6590 7.4548 114.7248 55.5056 40.6701 177.0249 123 Q 4.4080 8.1434 120.6076 58.4203 30.3863 176.3166 124 M 4.2255 8.2739 120.1225 57.1650 32.0396 178.8152 125 I 3.4593 8.1437 118.0149 64.2158 37.6108 177.6334 126 R 3.8012 8.1028 118.6204 60.2596 29.8078 178.0843 127 E 4.0198 8.1650 117.7219 58.5326 29.7222 177.9926 128 A 4.3952 8.2197 119.7828 52.4740 19.4048 176.7529 129 D 4.7123 7.4760 117.7645 54.0444 41.8206 175.9468 130 I 4.1210 8.9832 128.1673 62.7813 37.8934 176.3618 131 D 4.6441 8.5243 116.5948 52.6852 39.7455 177.1762 132 G 4.0483 8.4345 109.4463 45.7383 0.0000 174.6713 133 D 4.3194 7.9733 118.2248 54.9867 39.2069 176.7048 134 G 3.7836 10.9089 107.8271 45.6035 0.0000 173.3038 135 Q 4.6562 7.6597 111.8246 55.2035 31.0409 174.0343 136 V 4.3552 8.0875 116.7391 61.2685 33.2361 175.5439 137 N 5.1760 9.4892 122.9673 51.4214 40.2491 175.0517 138 Y 2.9667 8.1625 118.2990 60.6981 38.5192 177.5342 139 E 3.7569 7.9903 118.5169 59.7350 29.6187 179.2857 140 E 3.9772 10.5315 117.9989 59.2654 29.4101 179.3932 141 F 4.1640 8.5227 121.1131 61.4300 39.6402 177.3461 142 V 3.4010 8.3346 118.9289 66.0115 31.2226 177.9796 143 Q 3.8318 7.9213 117.6557 59.0045 28.4454 177.8333 144 M 3.8136 7.7550 118.1906 59.5269 32.2284 177.7410 145 M 3.9682 7.7204 117.2686 58.7015 32.4940 177.9346 146 T 4.0267 7.7553 109.7115 63.3002 69.1682 173.7376 147 A 3.8070 7.4459 128.0793 51.2660 18.5337 177.4035 148 K 4.1075 8.5639 122.4535 57.1564 32.3009 176.5939 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 3 Q 8.44 4.22 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.15 3.73 0.00 1.74 1.52 0.92 0.61 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 5 T 8.22 4.16 4.24 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 1.22 0.00 0.00 6 E 8.54 4.01 0.00 2.25 2.20 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 2.37 2.38 0.00 7 E 8.00 3.77 0.00 2.04 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 2.35 2.36 0.00 8 Q 7.59 4.09 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 9 I 8.54 4.34 2.05 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 1.80 0.74 1.10 0.00 0.00 10 A 8.18 4.14 1.36 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 11 E 7.84 4.02 0.00 2.09 1.81 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 2.35 2.65 0.00 12 F 8.52 4.21 0.00 3.19 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.45 4.45 0.00 2.11 1.88 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 0.86 7.81 14 E 8.41 4.50 0.00 2.01 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 2.32 2.25 0.00 15 A 7.86 4.30 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 16 F 8.70 4.27 0.00 3.26 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 17 S 7.28 3.79 0.00 3.97 4.07 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 18 L 8.08 4.13 0.00 1.31 1.36 1.01 0.82 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 19 F 7.31 4.97 0.00 2.95 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 20 D 7.75 4.51 0.00 2.84 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 21 K 8.37 4.30 0.00 1.77 1.81 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 D 7.77 5.00 0.00 2.74 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 23 G 8.24 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 0.00 0.00 0.00 0.00 24 D 8.16 4.39 0.00 2.85 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 25 G 6.71 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 0.00 0.00 0.00 26 T 8.41 5.52 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 1.29 0.00 0.00 27 I 7.96 4.45 1.51 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.31 0.35 0.00 0.00 28 T 7.87 4.51 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 T 8.99 3.90 4.24 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 1.22 0.00 0.00 30 K 7.59 4.26 0.00 1.80 1.82 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.47 7.81 31 E 7.67 4.22 0.00 2.33 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 0.00 2.18 2.20 0.00 32 L 8.37 4.04 0.00 1.82 1.89 1.19 1.17 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 33 G 8.46 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 34 T 7.92 3.92 4.47 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 0.83 0.00 0.00 35 V 8.13 3.72 2.36 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 1.08 0.00 0.00 1.04 0.00 0.00 36 M 8.17 4.07 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.84 0.00 37 R 7.93 5.06 0.00 2.04 2.15 0.00 3.15 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 38 S 7.96 4.26 0.00 4.49 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.11 4.08 0.00 1.67 1.70 0.72 0.23 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 40 G 8.00 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 0.00 0.00 0.00 41 Q 8.16 4.57 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 42 N 8.51 4.95 0.00 2.65 2.76 0.00 0.00 7.03 7.69 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 43 P 0.00 4.07 0.00 2.25 2.11 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 44 T 8.76 3.81 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 1.21 0.00 0.00 45 E 8.91 4.12 0.00 1.96 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 2.33 0.00 46 A 7.92 4.44 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 47 E 8.40 4.11 0.00 2.15 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 2.34 2.36 0.00 48 L 7.86 4.30 0.00 1.71 1.74 1.01 0.93 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 49 Q 7.97 4.04 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 50 D 7.96 4.45 0.00 2.95 2.94 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 51 M 7.51 4.03 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.56 0.00 52 I 7.75 3.97 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 1.43 0.65 1.02 0.00 0.00 53 N 8.02 4.66 0.00 2.92 2.83 0.00 0.00 6.89 7.04 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 54 E 7.95 4.49 0.00 2.14 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 2.20 2.27 0.00 55 V 7.59 3.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 56 D 7.44 4.62 0.00 2.76 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 57 A 8.01 4.51 1.30 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 0.00 0.00 58 D 7.72 4.37 0.00 2.68 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 59 G 7.35 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 0.00 0.00 0.00 60 N 7.15 3.89 0.00 2.85 2.89 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.63 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.63 5.43 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 1.20 0.00 0.00 63 I 7.91 4.61 2.12 0.00 0.00 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 1.32 1.10 1.17 0.00 0.00 64 D 9.58 5.23 0.00 2.85 2.94 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 65 F 9.36 3.74 0.00 3.09 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 66 P 0.00 4.37 0.00 2.25 2.11 0.00 4.01 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 67 E 7.92 4.04 0.00 2.42 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 0.00 2.39 2.43 0.00 68 F 8.01 4.47 0.00 3.04 2.52 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 69 L 8.03 3.15 0.00 1.39 1.49 0.97 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.64 3.93 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 71 M 7.57 3.75 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 72 M 7.79 3.77 0.00 1.30 1.06 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.23 0.00 73 A 7.30 4.29 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 74 R 9.41 4.33 0.00 1.66 2.06 0.00 3.23 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 75 K 7.25 4.15 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.52 7.81 76 M 7.64 4.37 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 77 K 6.78 4.46 0.00 1.67 1.61 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.44 7.81 78 D 7.95 4.41 0.00 2.67 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 79 T 7.83 4.02 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 80 D 8.08 4.72 0.00 3.04 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 81 S 8.70 4.17 0.00 3.88 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 82 E 7.44 3.91 0.00 1.83 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 2.43 2.46 0.00 83 E 8.16 4.15 0.00 2.16 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 2.39 2.48 0.00 84 E 8.27 3.99 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 85 I 8.06 3.87 2.27 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 1.44 0.72 1.04 0.00 0.00 86 R 8.35 4.43 0.00 2.02 2.12 0.00 2.98 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 0.00 87 E 8.12 4.35 0.00 2.29 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 2.37 2.68 0.00 88 A 8.30 4.19 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 0.00 0.00 0.00 0.00 0.00 89 F 8.71 3.01 0.00 3.13 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 90 R 7.79 3.89 0.00 1.80 1.99 0.00 3.23 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 91 V 7.57 3.68 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 0.67 0.00 0.00 1.01 0.00 0.00 92 F 8.29 4.08 0.00 2.65 3.04 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 0.00 0.00 0.00 93 D 7.58 4.51 0.00 2.05 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 0.00 0.00 0.00 0.00 94 K 7.43 3.89 0.00 2.07 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.59 7.81 95 D 8.05 4.75 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 96 G 8.53 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.32 4.58 0.00 3.10 3.14 0.00 0.00 6.10 7.07 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 98 G 8.27 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.68 5.16 0.00 2.83 2.93 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 0.00 100 I 9.30 4.58 2.04 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.42 0.95 0.00 0.00 101 S 8.93 4.84 0.00 3.90 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 0.00 102 A 9.01 4.08 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 0.00 103 A 8.30 3.94 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 0.00 104 E 8.08 3.90 0.00 2.38 2.26 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 2.52 2.47 0.00 105 L 8.56 4.18 0.00 1.85 1.95 1.20 0.94 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 0.00 106 R 8.32 3.90 0.00 2.00 2.18 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 107 H 8.60 4.30 0.00 3.09 3.45 0.00 5.94 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 0.00 108 V 7.34 4.07 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.80 0.00 0.00 109 M 8.57 4.10 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.97 0.00 110 T 7.93 4.55 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 0.00 111 N 8.11 4.22 0.00 2.71 2.87 0.00 0.00 6.93 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 0.00 112 L 7.49 4.45 0.00 1.56 1.66 0.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.01 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 0.00 0.00 0.00 114 E 8.00 4.48 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 115 K 8.55 4.71 0.00 1.78 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 116 L 8.20 4.78 0.00 1.62 1.57 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.24 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 118 D 8.87 4.43 0.00 2.79 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 0.00 119 E 8.23 4.40 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 120 E 8.78 4.15 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 121 V 7.74 3.71 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 1.19 0.00 0.00 0.97 0.00 0.00 122 D 7.45 4.66 0.00 2.88 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 0.00 123 Q 8.14 4.41 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 124 M 8.27 4.23 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.65 0.00 125 I 8.14 3.46 1.91 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 1.58 0.85 0.95 0.00 0.00 126 R 8.10 3.80 0.00 2.05 2.11 0.00 3.19 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 127 E 8.17 4.02 0.00 2.05 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 0.00 2.32 2.33 0.00 128 A 8.22 4.40 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 0.00 129 D 7.48 4.71 0.00 2.72 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 0.00 130 I 8.98 4.12 1.88 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 0.71 0.91 0.00 0.00 131 D 8.52 4.64 0.00 2.79 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 0.00 132 G 8.43 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 0.00 133 D 7.97 4.32 0.00 2.67 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 0.00 134 G 10.91 3.78 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 0.00 0.00 0.00 135 Q 7.66 4.66 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.89 0.00 0.00 0.00 0.00 0.00 1.97 2.25 0.00 136 V 8.09 4.36 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 0.81 0.00 0.00 1.12 0.00 0.00 137 N 9.49 5.18 0.00 2.70 3.22 0.00 0.00 6.35 7.13 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 0.00 138 Y 8.16 2.97 0.00 1.97 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 0.00 139 E 7.99 3.76 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 140 E 10.53 3.98 0.00 2.36 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 0.00 2.36 2.48 0.00 141 F 8.52 4.16 0.00 3.32 3.11 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 0.00 142 V 8.33 3.40 1.84 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 0.80 0.00 0.00 -0.22 0.00 0.00 143 Q 7.92 3.83 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.43 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 144 M 7.76 3.81 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 145 M 7.72 3.97 0.00 1.83 1.68 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 146 T 7.76 4.03 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 147 A 7.45 3.81 1.30 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 0.00 0.00 148 K 8.56 4.11 0.00 1.71 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81