NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9568 8.3549 109.7373 45.4600 0.0000 172.6168 2 L 4.2945 8.0336 118.4656 51.4053 42.9835 175.9514 3 S 4.5231 9.5323 118.9033 57.8533 66.2378 174.9905 4 D 4.6505 8.7267 121.9370 57.5672 40.5226 179.2887 5 G 3.6616 8.1001 105.7197 47.8974 0.0000 175.4650 6 E 3.9368 8.2904 120.9974 58.9328 29.3782 179.4644 7 W 4.2781 8.3165 119.2294 59.7961 29.0852 178.3386 8 Q 4.0654 8.5108 119.6764 59.2582 28.3979 178.3664 9 Q 4.0443 8.1947 119.1749 58.8495 28.6897 178.7003 10 V 3.6939 8.1140 119.5157 66.3599 31.3954 178.1673 11 L 4.2121 8.1874 116.8887 57.2620 41.7140 178.7577 12 N 4.5064 8.3223 117.6632 56.6408 38.9297 177.0243 13 V 3.5979 8.1782 119.9805 65.8495 31.5741 177.7913 14 W 4.1271 8.6651 128.3125 60.2242 30.2440 178.1120 15 G 3.6029 7.7384 104.7514 47.5143 0.0000 175.5687 16 K 4.0011 7.9296 120.8470 59.2203 32.0292 179.5868 17 V 2.7001 6.9503 117.9784 65.6693 31.1488 177.7466 18 E 3.8282 7.5294 116.5673 58.6398 29.2707 178.7222 19 A 4.1878 7.2856 119.5471 53.8007 19.8258 177.6318 20 D 4.6967 7.8688 116.5191 52.2029 42.6305 175.4285 21 I 3.6300 7.8202 124.6572 64.0041 37.6136 177.6965 22 A 4.0584 7.9587 121.2089 55.0795 18.3444 179.7757 23 G 3.5929 8.1690 105.5746 47.7958 0.0000 175.7092 24 H 4.1726 8.4145 119.1285 58.2833 28.6906 178.2104 25 G 3.5274 8.4132 108.0032 47.7030 0.0000 175.4669 26 Q 3.8568 8.3532 122.6673 59.0590 29.0248 178.3880 27 E 3.8800 8.1062 119.4933 59.1551 29.3757 179.5845 28 V 3.5085 7.9366 118.5751 66.0255 31.5670 178.1855 29 L 3.4372 7.7390 118.6752 57.5676 41.2390 179.6015 30 I 3.6425 7.8421 120.2241 64.0910 36.9641 178.4027 31 R 3.7809 8.1139 119.9512 59.1818 29.9099 178.3373 32 L 3.9141 7.8160 120.0517 58.3675 41.6204 179.0674 33 F 4.5881 8.1425 118.3863 60.7508 38.5862 177.8278 34 T 4.1190 8.1695 109.1228 64.4680 68.8814 176.8022 35 G 3.6702 7.8942 107.3799 45.9889 0.0000 173.7755 36 H 4.7618 7.9669 117.7174 51.9064 29.9526 171.7223 37 P 4.4950 0.0000 0.0000 64.6008 31.0793 177.4720 38 E 4.1294 8.2472 115.9832 59.3395 29.3931 179.1212 39 T 3.8767 8.3024 111.5869 64.4647 68.8897 176.3963 40 L 3.5153 7.9055 122.8129 57.8306 41.7921 178.6022 41 E 4.1415 7.8035 116.8778 58.4574 29.4556 178.5919 42 K 4.4933 8.0581 117.4545 56.7990 32.7805 177.3272 43 F 4.6305 8.1359 119.1359 55.4990 39.8857 175.6383 44 D 4.3721 8.5430 125.2859 56.9659 40.9219 178.7367 45 K 4.1921 7.8521 115.2995 57.6775 33.1076 177.5344 46 F 5.0350 8.0103 117.7648 57.1133 39.9409 176.8667 47 K 3.9075 7.6803 117.8932 59.4978 31.9133 178.0972 48 H 4.6412 8.1428 113.3041 56.5459 29.5460 176.1586 49 L 4.1983 7.3519 122.3490 54.3181 39.5384 176.6906 50 K 4.1793 9.1703 123.4968 58.0540 32.8239 177.9416 51 T 4.7381 7.4845 108.3196 58.9033 73.2874 174.2278 52 E 3.9786 8.6794 121.3008 59.0202 29.6774 178.8827 53 A 4.0212 7.8967 120.8366 55.1509 18.3245 179.2603 54 E 3.9704 8.0336 116.1851 59.5803 29.8634 179.2180 55 M 4.1632 7.9844 118.7996 58.4815 31.8696 178.9488 56 K 3.9468 8.2855 117.2786 59.1044 32.3047 178.4436 57 A 4.4520 7.8469 118.3057 51.6114 18.9248 177.0551 58 S 4.3912 7.5343 113.8827 57.4270 62.7017 174.7184 59 E 4.0603 8.8031 128.4579 59.2090 29.2549 178.5898 60 D 4.4469 8.1719 117.9480 56.9819 41.2878 177.8316 61 L 3.7596 8.1715 121.2702 57.9173 41.9956 179.1063 62 K 3.9293 7.8512 118.6040 59.1279 31.9661 179.1580 63 K 3.9307 8.2442 120.0708 59.9937 32.0988 178.3882 64 H 4.4223 8.8636 118.8403 59.1208 29.7028 177.4187 65 G 3.6054 8.3747 108.0267 48.0198 0.0000 175.8420 66 T 3.8858 8.1418 118.1410 66.3485 68.4527 176.9404 67 V 3.5980 7.7816 120.1970 65.8938 31.5582 178.2561 68 V 3.6005 8.0674 118.2665 66.2463 31.4264 178.1372 69 L 4.2861 8.2623 118.6945 57.8621 41.4080 179.6684 70 T 4.0263 8.3042 116.0567 66.4590 68.3558 176.5794 71 A 3.9797 8.1019 122.7638 55.0823 18.4327 179.4318 72 L 3.6959 8.1242 119.0746 58.1256 42.1193 179.3915 73 G 2.9624 8.4477 106.2103 47.3511 0.0000 175.8613 74 G 3.5839 7.7535 107.1584 47.5950 0.0000 175.6070 75 I 3.8392 7.5581 122.2610 64.1249 37.1144 178.5504 76 L 3.9717 7.8919 120.1907 57.6356 41.1861 179.4818 77 K 3.9633 7.6836 116.6268 58.1515 32.2753 178.5537 78 K 3.9692 7.8842 118.3838 55.7450 32.7010 176.4628 79 K 2.0000 8.2662 118.3244 56.3023 29.7692 175.4763 80 G 3.9201 7.8598 106.1530 45.7579 0.0000 173.9770 81 H 4.5636 7.3316 118.9926 55.1101 27.4130 174.7842 82 H 5.5550 7.2994 111.1845 54.2830 29.7487 176.0998 83 E 3.9148 8.6361 122.3694 60.2934 29.0129 178.7594 84 A 3.9875 7.9430 118.4569 54.9801 17.9767 178.8193 85 E 4.1525 8.0813 116.6701 58.9307 29.8159 178.7105 86 L 4.0950 8.4818 120.7698 57.5325 42.1588 178.3998 87 K 3.8210 8.2579 120.2290 59.2820 32.0062 176.8327 88 P 4.2319 0.0000 0.0000 65.7324 31.0984 178.0969 89 L 3.9845 7.4996 116.6224 57.8928 42.0670 178.7262 90 A 4.0585 8.3671 121.1760 55.4614 18.2454 179.7099 91 Q 3.9701 8.4879 117.1007 58.9345 28.6716 179.0289 92 S 4.0186 8.4412 115.7541 61.6867 63.1641 176.3132 93 H 4.1178 8.6454 119.5917 57.9975 27.8579 177.6726 94 A 2.5800 7.7448 122.7224 54.8291 18.1940 179.7673 95 T 3.6979 7.4953 112.8227 65.5203 68.6843 176.1449 96 K 4.0758 7.4615 120.0339 58.6520 32.8435 177.0953 97 H 4.3835 7.9303 113.6824 55.7534 29.4035 175.2261 98 K 3.6756 7.4273 116.6932 56.3768 28.9465 176.6236 99 I 4.2889 8.0335 119.7448 59.0676 37.6303 175.0112 100 P 4.4541 0.0000 0.0000 62.1913 31.9648 177.7705 101 I 3.6725 8.5014 120.2665 63.9884 37.6868 178.0654 102 K 3.6481 7.9248 120.2736 59.7379 31.8926 178.0965 103 Y 4.1471 7.9179 116.7759 60.7384 37.7345 178.1671 104 L 4.2055 7.9554 120.3341 57.3450 41.6632 179.0169 105 E 3.9574 7.9078 119.0740 59.2676 29.6895 178.5289 106 F 4.5165 8.1738 118.1488 60.9571 39.0387 177.5991 107 I 3.8784 8.2515 117.9551 63.8338 37.8654 178.1649 108 S 4.2332 8.2863 116.4688 61.7266 62.6860 176.2584 109 D 4.4713 8.4840 121.4163 57.3702 40.4862 178.7054 110 A 4.0620 8.2719 121.3400 55.2083 18.3249 179.7762 111 I 3.6926 7.9738 118.3364 64.6160 37.3145 178.7490 112 I 3.8678 7.7960 120.2866 64.5546 36.8481 177.9994 113 H 4.1855 8.5153 119.1825 59.3771 29.6908 177.5294 114 V 3.5484 8.2151 120.4229 65.8662 31.3747 177.9512 115 L 3.8359 7.9777 118.8442 58.1135 41.1164 179.2720 116 H 4.3883 7.9117 114.6983 58.8485 28.7017 177.5394 117 S 4.1747 8.0955 114.6364 61.0308 62.3321 175.7723 118 K 4.1306 8.1360 119.6222 57.3886 33.2435 176.5459 119 H 4.9634 7.8753 116.3183 53.6628 29.4439 171.9707 120 P 4.4774 0.0000 0.0000 64.2758 31.8302 177.4788 121 G 3.9984 9.1660 110.5754 45.6683 0.0000 172.9338 122 D 4.9656 8.3527 118.1236 53.6705 41.6422 175.9609 123 F 4.9429 8.0610 119.9445 54.7169 39.6084 174.6955 124 G 3.8074 8.1521 112.9643 43.4279 0.0000 170.8794 125 A 3.9010 8.3515 121.8534 55.0133 18.2470 179.6760 126 D 4.2149 7.9733 116.9710 56.5435 39.4822 178.5173 127 A 3.9735 7.7988 121.8402 54.8156 18.3863 179.2145 128 Q 3.5780 7.9692 118.6075 58.9497 29.0556 178.6242 129 G 3.5344 8.0769 106.5626 47.7244 0.0000 175.5508 130 A 3.8615 8.0985 123.5961 55.0326 18.4031 179.3886 131 M 4.0206 8.4305 117.1367 59.0522 32.2009 178.5543 132 T 3.9028 8.2434 116.1565 66.6318 68.6208 176.6998 133 K 4.0128 8.1126 120.1185 59.4369 32.0351 179.2719 134 A 3.8545 8.0051 121.0313 55.1324 18.2126 179.7501 135 L 4.1010 8.2183 117.6383 57.8248 41.6799 179.5919 136 E 3.9941 8.5804 119.1048 59.1248 29.3214 179.0222 137 L 3.9562 8.1452 120.5042 58.0671 42.2129 178.5396 138 F 4.1582 8.3788 120.5543 61.6189 39.2458 177.1017 139 R 3.5433 8.3374 118.2380 59.3413 29.8868 178.0081 140 N 4.2741 8.6539 117.3021 56.6672 38.7994 176.7141 141 D 4.3721 8.3158 120.6129 57.1335 40.7848 178.8013 142 I 3.4475 7.4975 120.2733 64.1282 36.9375 178.1580 143 A 3.7205 7.9850 121.7800 55.1031 18.1082 179.5501 144 A 3.9349 8.0003 119.1905 55.2890 18.5223 180.0752 145 K 4.0360 7.8938 117.1179 59.7284 32.0220 179.2445 146 Y 4.3015 8.4083 117.5430 60.9861 37.7918 178.4996 147 K 3.9942 8.5145 120.8213 59.4302 32.0795 178.5186 148 E 3.9947 8.0156 118.0279 59.6193 29.5847 179.0166 149 L 4.2881 7.8707 115.9859 54.8314 41.8536 177.6185 150 G 3.8691 7.7833 106.7540 46.2270 0.0000 173.1488 151 F 4.5327 8.2579 121.8444 57.0478 40.2280 174.9280 152 Q 4.0127 7.2888 124.9431 56.3896 31.1720 175.7091 153 G 3.3236 6.5300 109.3653 46.1416 0.0000 172.8047 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 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.03 4.29 0.00 0.55 0.72 0.51 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.53 4.52 0.00 4.05 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 4 D 8.73 4.65 0.00 2.77 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 5 G 8.10 3.66 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 0.00 0.00 0.00 6 E 8.29 3.94 0.00 2.02 1.74 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 2.23 2.27 0.00 7 W 8.32 4.28 0.00 3.55 3.17 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 8 Q 8.51 4.07 0.00 2.20 2.34 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 2.41 2.46 0.00 9 Q 8.19 4.04 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 10 V 8.11 3.69 2.51 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 1.28 0.00 0.00 0.87 0.00 0.00 11 L 8.19 4.21 0.00 1.76 1.81 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.32 4.51 0.00 2.99 3.01 0.00 0.00 6.66 7.17 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 13 V 8.18 3.60 2.39 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 0.84 0.00 0.00 1.20 0.00 0.00 14 W 8.67 4.13 0.00 3.62 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.74 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 16 K 7.93 4.00 0.00 1.62 1.49 0.00 1.41 0.00 0.00 1.28 0.00 0.00 2.88 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.33 1.39 7.81 17 V 6.95 2.70 0.67 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 0.04 0.00 0.00 0.29 0.00 0.00 18 E 7.53 3.83 0.00 1.84 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 2.28 2.03 0.00 19 A 7.29 4.19 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.87 4.70 0.00 2.71 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 I 7.82 3.63 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.90 0.00 0.00 22 A 7.96 4.06 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 23 G 8.17 3.59 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 0.00 24 H 8.41 4.17 0.00 3.16 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.41 3.53 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 0.00 0.00 0.00 26 Q 8.35 3.86 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 E 8.11 3.88 0.00 1.97 1.91 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 2.25 2.36 0.00 28 V 7.94 3.51 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 1.01 0.00 0.00 0.96 0.00 0.00 29 L 7.74 3.44 0.00 1.34 0.73 0.78 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.84 3.64 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.87 0.00 0.00 31 R 8.11 3.78 0.00 1.94 2.07 0.00 3.04 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 32 L 7.82 3.91 0.00 1.78 1.46 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.14 4.59 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.17 4.12 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 1.24 0.00 0.00 35 G 7.89 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.97 4.76 0.00 3.08 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.15 2.11 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 38 E 8.25 4.13 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.55 0.00 39 T 8.30 3.88 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 7.91 3.52 0.00 1.44 1.71 -0.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.80 4.14 0.00 2.24 2.06 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 2.38 2.54 0.00 42 K 8.06 4.49 0.00 1.98 1.79 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.77 1.99 7.81 43 F 8.14 4.63 0.00 3.29 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 44 D 8.54 4.37 0.00 2.68 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 45 K 7.85 4.19 0.00 1.59 1.74 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.98 0.21 7.81 46 F 8.01 5.03 0.00 2.80 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 47 K 7.68 3.91 0.00 1.99 1.90 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.70 7.81 48 H 8.14 4.64 0.00 3.33 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.35 4.20 0.00 1.63 1.60 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.17 4.18 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.52 7.81 51 T 7.48 4.74 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 1.20 0.00 0.00 52 E 8.68 3.98 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 A 7.90 4.02 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 54 E 8.03 3.97 0.00 2.11 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 2.36 2.35 0.00 55 M 7.98 4.16 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 56 K 8.29 3.95 0.00 1.81 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.58 7.81 57 A 7.85 4.45 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 58 S 7.53 4.39 0.00 4.07 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 59 E 8.80 4.06 0.00 2.06 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 2.42 2.32 0.00 60 D 8.17 4.45 0.00 2.90 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 61 L 8.17 3.76 0.00 1.46 1.68 0.72 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.85 3.93 0.00 1.98 1.84 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.60 7.81 63 K 8.24 3.93 0.00 1.99 2.13 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 64 H 8.86 4.42 0.00 3.67 3.53 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.37 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 66 T 8.14 3.89 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 67 V 7.78 3.60 2.21 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 1.05 0.00 0.00 0.99 0.00 0.00 68 V 8.07 3.60 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 1.06 0.00 0.00 0.99 0.00 0.00 69 L 8.26 4.29 0.00 1.79 1.89 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.30 4.03 4.46 0.00 0.00 0.00 0.00 0.00 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 71 A 8.10 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.12 3.70 0.00 1.59 1.73 -0.04 0.83 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 73 G 8.45 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 0.00 0.00 0.00 74 G 7.75 3.58 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 0.00 0.00 0.00 75 I 7.56 3.84 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.95 0.00 0.00 76 L 7.89 3.97 0.00 1.19 1.54 0.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.96 0.00 1.61 1.77 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.52 7.81 78 K 7.88 3.97 0.00 1.82 1.81 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.58 1.73 7.81 79 K 8.27 2.00 0.00 1.15 0.74 0.00 1.49 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.36 0.71 7.81 80 G 7.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.33 4.56 0.00 3.18 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.30 5.55 0.00 3.27 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.64 3.91 0.00 2.12 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 2.40 2.48 0.00 84 A 7.94 3.99 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 85 E 8.08 4.15 0.00 2.23 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 2.37 2.42 0.00 86 L 8.48 4.10 0.00 1.65 1.70 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.26 3.82 0.00 2.07 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.23 0.00 2.32 2.31 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 89 L 7.50 3.98 0.00 1.86 1.91 1.03 1.10 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 90 A 8.37 4.06 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 91 Q 8.49 3.97 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 92 S 8.44 4.02 0.00 3.95 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 0.00 93 H 8.65 4.12 0.00 3.50 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.74 2.58 0.26 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 95 T 7.50 3.70 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 1.10 0.00 0.00 96 K 7.46 4.08 0.00 1.52 1.58 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 1.33 7.81 97 H 7.93 4.38 0.00 3.15 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.43 3.68 0.00 1.93 1.98 0.00 1.87 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.35 7.81 99 I 8.03 4.29 2.09 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 1.51 0.96 1.19 0.00 0.00 100 P 0.00 4.45 0.00 1.64 1.80 0.00 2.44 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.77 0.00 101 I 8.50 3.67 1.92 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.88 0.00 0.00 102 K 7.92 3.65 0.00 1.73 1.57 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 0.37 7.81 103 Y 7.92 4.15 0.00 3.19 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 0.00 104 L 7.96 4.21 0.00 1.82 1.72 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 3.96 0.00 1.98 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 2.48 2.44 0.00 106 F 8.17 4.52 0.00 3.27 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 0.00 107 I 8.25 3.88 2.04 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 1.60 1.40 1.12 0.00 0.00 108 S 8.29 4.23 0.00 4.21 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 0.00 109 D 8.48 4.47 0.00 3.00 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 0.00 110 A 8.27 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.97 3.69 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 0.98 0.00 0.00 112 I 7.80 3.87 2.15 0.00 0.00 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 1.71 1.54 1.16 0.00 0.00 113 H 8.52 4.19 0.00 3.32 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.22 3.55 2.06 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 0.97 0.00 0.00 0.99 0.00 0.00 115 L 7.98 3.84 0.00 1.25 0.45 0.46 0.60 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 0.00 116 H 7.91 4.39 0.00 3.36 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.10 4.17 0.00 3.75 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 0.00 118 K 8.14 4.13 0.00 1.50 1.44 0.00 1.64 0.00 0.00 1.20 0.00 0.00 2.60 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.26 1.39 7.81 119 H 7.88 4.96 0.00 3.25 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.48 0.00 2.19 2.09 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 121 G 9.17 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 0.00 122 D 8.35 4.97 0.00 2.62 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 0.00 123 F 8.06 4.94 0.00 2.76 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 0.00 124 G 8.15 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 0.00 125 A 8.35 3.90 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 0.00 126 D 7.97 4.21 0.00 2.85 2.90 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 0.00 127 A 7.80 3.97 1.40 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 0.00 0.00 128 Q 7.97 3.58 0.00 1.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 129 G 8.08 3.53 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 0.00 0.00 0.00 130 A 8.10 3.86 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 0.00 131 M 8.43 4.02 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.79 0.00 132 T 8.24 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 133 K 8.11 4.01 0.00 1.79 1.67 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 A 8.01 3.85 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 0.00 135 L 8.22 4.10 0.00 1.89 1.83 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.58 3.99 0.00 2.15 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 2.35 2.49 0.00 137 L 8.15 3.96 0.00 1.87 1.96 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.38 4.16 0.00 3.16 3.27 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 0.00 139 R 8.34 3.54 0.00 2.08 2.04 0.00 3.19 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 140 N 8.65 4.27 0.00 2.84 2.78 0.00 0.00 7.24 8.50 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 0.00 141 D 8.32 4.37 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 0.00 142 I 7.50 3.45 1.47 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.21 0.10 0.00 0.00 143 A 7.98 3.72 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 0.00 144 A 8.00 3.93 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 0.00 145 K 7.89 4.04 0.00 1.93 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.61 7.81 146 Y 8.41 4.30 0.00 3.18 3.06 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 0.00 147 K 8.51 3.99 0.00 1.85 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 8.02 3.99 0.00 2.19 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 0.00 2.37 2.67 0.00 149 L 7.87 4.29 0.00 1.81 1.71 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.78 3.87 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 0.00 0.00 0.00 151 F 8.26 4.53 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.29 4.01 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 153 G 6.53 3.32 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 0.00