NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4211 8.3044 118.1958 55.3634 32.5403 174.5290 1 V 4.1587 7.8224 118.5408 61.0405 33.8750 172.5640 2 L 4.1931 8.3616 128.3048 54.2429 43.2529 177.3329 3 S 4.4833 8.8343 118.4851 57.8598 65.1889 175.1819 4 E 4.3285 8.8393 122.4206 59.4218 29.3342 179.0794 5 G 3.6098 8.0816 105.5322 47.5900 0.0000 175.5230 6 E 3.9259 8.0543 120.4614 59.0427 29.3826 179.3789 7 W 4.2432 8.0493 119.0402 59.6929 29.0820 178.5416 8 Q 4.1127 8.5017 118.2168 59.2090 28.3291 178.9868 9 L 4.1043 7.9506 119.7932 57.6960 41.5797 179.9174 10 V 3.7683 7.8276 118.3556 65.9448 31.6331 177.8407 11 L 4.3930 8.5603 118.0156 56.7690 41.3157 178.7787 12 H 4.3545 8.3432 119.4137 59.2037 29.9958 177.5179 13 V 3.4828 7.8679 120.4346 64.3076 31.3370 178.1519 14 W 3.9627 8.5693 129.0592 60.0831 30.2545 177.7506 15 A 4.0279 8.0758 120.2698 54.9346 18.0082 179.5609 16 K 3.9265 7.4522 116.7150 59.5182 32.1439 179.4632 17 V 2.7835 7.0699 118.3964 65.9656 30.9778 177.6774 18 E 3.9068 7.5537 115.6731 58.1895 29.2810 178.5941 19 A 4.2131 7.5232 120.6409 53.6706 19.9981 177.3771 20 D 4.6360 7.8802 116.7244 51.8014 41.8849 175.6095 21 V 3.4663 7.8654 122.7473 65.5158 32.0257 176.8200 22 A 4.1150 7.9870 120.2684 54.9543 18.2447 179.7657 23 G 3.8975 8.1197 105.4413 47.8658 0.0000 175.8007 24 H 4.1449 8.3021 119.1065 58.1715 28.7070 178.1092 25 G 3.6138 8.4471 108.0551 47.8821 0.0000 175.6114 26 Q 3.8933 8.1221 120.9176 58.6652 28.7834 178.5459 27 D 4.3078 7.8607 119.6349 57.6718 40.8530 179.1238 28 I 3.6628 7.8942 120.1572 64.4869 37.0282 178.6157 29 L 3.4509 7.6661 119.5087 57.4831 41.2768 179.6303 30 I 3.6969 7.6000 119.8178 64.1850 36.9925 178.1979 31 R 3.7726 7.8148 119.6108 59.4194 29.8439 178.2699 32 L 3.8993 7.8404 119.9435 58.3462 41.7970 179.0588 33 F 4.7792 8.0278 117.9637 60.3812 38.5280 177.9393 34 K 4.0524 8.1916 118.0542 59.4051 31.9619 179.2581 35 S 4.3587 8.0324 114.6665 60.2068 63.9841 174.2762 36 H 4.6653 8.5372 119.2999 52.2454 29.6340 171.9780 37 P 4.7457 0.0000 0.0000 64.4320 31.4303 177.5718 38 E 4.6280 8.5272 117.7083 58.7941 29.3377 178.9304 39 T 3.9671 8.3235 111.0551 64.0126 68.9479 176.0704 40 L 3.8722 7.8423 122.6858 57.3084 42.0007 178.3068 41 E 4.1360 8.1661 118.0545 58.9854 29.1991 178.6238 42 K 4.4174 8.2824 117.2144 56.9708 32.5687 176.9007 43 F 4.3253 7.9887 119.2609 55.5662 38.4375 176.2282 44 D 4.3933 8.3135 126.5728 56.7263 41.1233 178.4602 45 R 4.0240 7.7750 119.0575 58.7495 30.8146 176.9027 46 F 5.0884 7.0447 112.3091 55.6203 37.9217 175.9556 47 K 4.0658 8.1767 123.4968 60.5634 32.6376 177.3599 48 H 4.3117 8.2860 112.4395 57.2913 28.6998 175.3491 49 L 3.8465 7.3285 121.0905 55.3928 41.6721 177.0238 50 K 4.2340 9.4135 124.3572 57.9359 32.9853 177.6134 51 T 4.7189 7.5185 107.3453 58.8459 73.0422 174.1015 52 E 3.8620 8.7437 121.6498 59.7042 29.5716 178.9205 53 A 3.9622 7.9637 120.0036 55.2291 18.2194 179.2997 54 E 3.9120 7.6448 116.2412 59.8197 29.9025 179.1276 55 M 4.0979 8.1590 118.7527 58.3868 31.7870 179.0410 56 K 3.9984 8.2557 117.6930 58.6361 32.2928 178.2926 57 A 4.4729 7.3782 118.0538 51.0370 19.5139 176.8074 58 S 4.2823 7.3708 114.3289 57.2752 63.1281 174.6058 59 E 3.9794 8.8160 128.7695 59.2459 29.4739 178.3696 60 D 4.4154 8.0164 118.6465 57.3177 41.0556 178.1367 61 L 3.2332 7.7487 120.9039 57.9183 41.9234 179.0183 62 K 3.9251 7.8553 119.0724 59.2467 32.0707 179.0759 63 K 4.0316 8.1424 119.0081 59.6552 31.8899 179.4149 64 T 4.1064 8.0978 116.2080 66.6746 68.4044 176.8320 65 G 3.6248 8.2711 107.6522 47.7818 0.0000 175.9681 66 V 3.6344 7.7541 120.4780 66.1281 31.6200 178.1835 67 T 3.9078 8.1309 115.5936 66.6354 68.1685 176.7718 68 V 3.6680 8.2252 120.3019 66.1904 31.6520 178.2326 69 L 4.2194 8.1745 118.7548 58.0478 41.5246 179.6837 70 T 3.9770 8.3405 115.8417 66.5729 68.2392 176.6465 71 A 4.0412 8.1915 122.7833 55.0456 18.3266 179.4853 72 L 3.7598 8.3874 119.4071 58.0931 42.1102 179.4707 73 G 3.3770 8.4926 105.6211 47.4766 0.0000 175.4975 74 A 4.0677 7.7201 121.5233 54.5353 18.7137 179.3442 75 I 3.9099 7.2438 118.7942 64.2095 37.3501 178.4177 76 L 4.0296 7.9199 120.1152 57.5628 41.1512 179.6546 77 K 3.9492 7.8489 117.7016 59.0114 32.2050 179.2168 78 K 3.8758 7.9221 118.5637 56.7478 32.1764 176.9269 79 K 2.0000 8.1538 117.4711 56.6638 29.7402 174.7930 80 G 4.0991 7.9820 107.1307 46.5721 0.0000 174.7629 81 H 5.1400 7.5152 117.3795 54.2624 27.1604 174.7610 82 H 5.3702 7.1684 112.2564 54.3163 29.9279 176.7171 83 E 3.9145 8.2929 120.8602 60.0914 29.0895 179.2105 84 A 4.0394 7.9063 118.8608 55.2374 18.1185 179.0874 85 E 4.1146 8.1813 116.5351 59.1218 29.5991 179.3837 86 L 4.1379 8.1893 119.5125 58.1671 41.6591 178.6193 87 K 3.7671 7.9313 117.1251 59.8601 31.9994 176.7294 88 P 4.2311 0.0000 0.0000 66.2093 31.1546 178.3550 89 L 3.9573 7.5164 116.2377 58.0214 42.0361 178.7982 90 A 4.2390 8.6509 121.0920 55.2266 18.3137 179.4086 91 Q 3.8539 8.4033 118.5131 59.3689 29.0912 178.6413 92 S 4.0441 8.0925 115.2792 61.6024 63.0959 176.1526 93 H 4.0596 8.4372 119.6301 58.2949 28.5043 177.5507 94 A 2.5800 8.0771 122.9050 54.2382 17.9462 179.5059 95 T 3.8331 7.3182 112.7888 65.3913 69.1520 176.4767 96 K 3.9643 7.4455 119.9162 59.2613 32.5954 177.3944 97 H 4.3335 7.8178 114.2405 55.8937 29.4303 175.1419 98 K 3.4390 7.4213 117.3291 56.0631 28.2693 173.9779 99 I 4.4120 8.0195 119.3079 58.3619 39.3330 174.7782 100 P 4.5774 0.0000 0.0000 62.3530 32.1919 177.3619 101 I 3.5915 8.1420 121.1028 64.3567 36.9001 178.4166 102 K 3.5652 8.0083 120.0013 60.0865 31.9158 177.9943 103 Y 4.1477 7.8760 116.4742 61.1546 37.8181 178.7152 104 L 4.2533 7.8682 119.2077 57.3762 41.8261 179.2464 105 E 4.0079 7.8104 118.6763 59.3281 29.4330 178.9888 106 F 4.6192 7.7673 117.8966 60.9479 38.8924 177.6416 107 I 3.9083 8.0138 117.6634 63.9554 37.7874 178.0991 108 S 4.2261 8.1337 116.2249 61.3476 62.5717 176.1358 109 E 4.0726 8.2881 121.9587 59.0651 29.4163 178.6175 110 A 4.1323 8.1369 120.9877 54.8236 18.4334 179.7713 111 I 3.7048 8.2169 118.9650 64.7618 37.2682 178.7394 112 I 3.9100 8.0267 120.6111 64.4553 36.8500 178.0804 113 H 4.1100 8.3268 119.4093 59.1396 29.6180 177.6095 114 V 3.5174 7.7786 119.9842 65.9754 31.3435 177.8438 115 L 3.7760 7.7916 118.7644 58.0221 41.0830 179.0590 116 H 4.3202 7.7938 116.8105 59.5967 29.9285 177.3051 117 S 4.1978 7.8000 115.7018 61.1552 62.6608 176.2693 118 R 4.1319 7.9730 120.1774 57.1591 31.8557 176.7190 119 H 4.9289 7.9966 116.0856 53.5062 28.5132 172.7622 120 P 4.4007 0.0000 0.0000 65.1220 32.2175 179.9397 121 G 3.6187 8.1228 107.2176 47.6136 0.0000 173.8413 122 N 4.8529 8.0036 114.3761 53.0915 39.4866 174.7055 123 F 5.0979 7.6836 119.5539 56.7235 39.6008 174.4807 124 G 3.9060 7.6264 109.0620 44.0940 0.0000 171.8681 125 A 3.8806 8.3794 120.6152 55.3826 18.4017 179.7479 126 D 4.1988 7.9720 116.6974 57.4091 40.8843 178.7449 127 A 3.9737 7.7695 120.8820 55.0551 18.3901 179.3183 128 Q 3.1335 8.0163 118.6680 58.6738 28.9539 178.6290 129 G 3.4472 8.0175 107.0007 47.4638 0.0000 175.7100 130 A 3.8437 7.9775 123.1834 54.9481 18.3978 179.2743 131 M 3.9285 8.1632 116.9275 58.8095 32.2635 177.7201 132 N 4.2608 8.2887 117.2468 56.7660 39.0183 176.4096 133 K 3.7523 8.0597 120.5456 59.6426 32.1917 178.5035 134 A 3.8340 8.0007 120.9000 55.1030 18.1751 179.6579 135 L 4.1309 8.1660 117.5921 57.7393 41.6200 179.5024 136 E 3.9578 8.4754 118.9144 59.1985 29.4917 178.9380 137 L 3.9351 8.1218 120.4947 58.1951 42.1740 178.5152 138 F 4.1593 8.3467 120.4012 61.7973 39.2870 177.4423 139 R 3.4200 8.2750 117.5697 58.8357 29.7705 179.0315 140 K 3.8969 8.2875 119.8504 59.3576 32.1661 178.5985 141 D 4.3916 7.9735 119.0912 57.0049 40.7982 178.8236 142 I 3.5698 7.5294 120.2621 63.9731 36.9663 178.2891 143 A 3.6181 7.7849 121.5365 54.9083 18.2589 179.5556 144 A 3.9633 7.9672 119.3460 55.2240 18.4106 180.0605 145 K 4.0604 8.0913 117.1045 59.5394 32.0256 179.1462 146 Y 4.3547 8.4972 117.7158 61.0541 37.8198 178.5123 147 K 3.9363 8.1869 120.4584 59.8212 32.1030 178.7039 148 E 4.0713 7.9908 116.6607 58.6723 29.4502 178.3418 149 L 4.4344 7.7937 117.0888 54.6352 42.0445 177.2812 150 G 3.9441 8.2798 107.3147 45.9468 0.0000 173.2034 151 Y 4.3888 8.3009 119.4100 59.0945 40.4788 176.4297 152 Q 3.1596 7.7969 114.2444 57.0834 27.0286 173.7811 153 G 3.2266 7.9150 111.3168 44.7807 0.0000 170.9996 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 M 8.30 4.42 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.82 4.16 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 0.84 0.00 0.00 0.96 0.00 0.00 2 L 8.36 4.19 0.00 1.23 0.66 0.60 -0.28 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 3 S 8.83 4.48 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 E 8.84 4.33 0.00 2.20 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 2.43 2.52 0.00 5 G 8.08 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 6 E 8.05 3.93 0.00 1.94 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 2.21 2.26 0.00 7 W 8.05 4.24 0.00 3.59 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 8 Q 8.50 4.11 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 9 L 7.95 4.10 0.00 1.89 1.76 0.89 0.87 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 10 V 7.83 3.77 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 1.16 0.00 0.00 0.91 0.00 0.00 11 L 8.56 4.39 0.00 1.85 1.81 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.34 4.35 0.00 3.46 3.50 0.00 5.78 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 13 V 7.87 3.48 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 1.01 0.00 0.00 0.87 0.00 0.00 14 W 8.57 3.96 0.00 3.61 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 15 A 8.08 4.03 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 16 K 7.45 3.93 0.00 1.55 1.68 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 17 V 7.07 2.78 1.03 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 -0.09 0.00 0.00 0.39 0.00 0.00 18 E 7.55 3.91 0.00 2.01 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 2.25 2.13 0.00 19 A 7.52 4.21 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.88 4.64 0.00 2.70 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 21 V 7.87 3.47 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 1.03 0.00 0.00 0.84 0.00 0.00 22 A 7.99 4.12 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 8.12 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 0.00 0.00 0.00 24 H 8.30 4.14 0.00 3.13 3.23 0.00 5.83 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 8.45 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 26 Q 8.12 3.89 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 27 D 7.86 4.31 0.00 2.87 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 28 I 7.89 3.66 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.91 0.00 0.00 29 L 7.67 3.45 0.00 1.46 1.09 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.60 3.70 1.88 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 1.41 0.63 0.88 0.00 0.00 31 R 7.81 3.77 0.00 2.02 2.04 0.00 3.03 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 32 L 7.84 3.90 0.00 1.66 1.37 1.06 1.21 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 33 F 8.03 4.78 0.00 3.07 2.86 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 34 K 8.19 4.05 0.00 1.67 1.83 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.69 7.81 35 S 8.03 4.36 0.00 3.76 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.67 0.00 2.81 2.91 0.00 5.62 0.00 0.00 0.00 0.00 6.78 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 4.75 0.00 2.16 2.11 0.00 3.82 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 2.09 1.98 0.00 38 E 8.53 4.63 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 2.33 2.39 0.00 39 T 8.32 3.97 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 40 L 7.84 3.87 0.00 1.35 1.77 0.26 0.60 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 41 E 8.17 4.14 0.00 2.38 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 2.38 0.00 42 K 8.28 4.42 0.00 1.83 1.67 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 2.00 7.81 43 F 7.99 4.33 0.00 2.96 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 0.00 0.00 0.00 44 D 8.31 4.39 0.00 2.58 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 45 R 7.77 4.02 0.00 1.58 1.58 0.00 3.23 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.64 0.00 46 F 7.04 5.09 0.00 3.17 3.19 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 47 K 8.18 4.07 0.00 1.86 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.59 7.81 48 H 8.29 4.31 0.00 3.31 3.47 0.00 5.60 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 49 L 7.33 3.85 0.00 1.58 1.60 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.41 4.23 0.00 1.82 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.53 7.81 51 T 7.52 4.72 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 8.74 3.86 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 53 A 7.96 3.96 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 7.64 3.91 0.00 2.04 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 2.33 2.33 0.00 55 M 8.16 4.10 0.00 2.03 2.25 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 2.70 2.53 0.00 56 K 8.26 4.00 0.00 1.91 1.83 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.41 7.81 57 A 7.38 4.47 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 58 S 7.37 4.28 0.00 3.82 3.71 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 59 E 8.82 3.98 0.00 2.12 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 2.38 2.46 0.00 60 D 8.02 4.42 0.00 2.91 3.05 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 61 L 7.75 3.23 0.00 0.87 1.49 0.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.86 3.93 0.00 1.84 1.84 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.14 4.03 0.00 1.92 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 64 T 8.10 4.11 4.54 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 1.52 0.00 0.00 65 G 8.27 3.62 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 0.00 66 V 7.75 3.63 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 1.12 0.00 0.00 0.93 0.00 0.00 67 T 8.13 3.91 4.52 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 1.30 0.00 0.00 68 V 8.23 3.67 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 1.21 0.00 0.00 1.15 0.00 0.00 69 L 8.17 4.22 0.00 1.81 1.83 0.89 0.85 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 70 T 8.34 3.98 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 1.26 0.00 0.00 71 A 8.19 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 3.76 0.00 1.68 1.71 0.26 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 3.38 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 0.00 74 A 7.72 4.07 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 75 I 7.24 3.91 1.85 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 1.54 0.94 0.88 0.00 0.00 76 L 7.92 4.03 0.00 1.28 1.60 -0.20 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.85 3.95 0.00 1.66 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.54 7.81 78 K 7.92 3.88 0.00 1.81 1.81 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.71 1.77 7.81 79 K 8.15 2.00 0.00 1.31 0.74 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.70 7.81 80 G 7.98 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 81 H 7.52 5.14 0.00 3.21 3.26 0.00 5.76 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 82 H 7.17 5.37 0.00 3.30 3.46 0.00 5.68 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 83 E 8.29 3.91 0.00 2.10 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 0.00 2.43 2.52 0.00 84 A 7.91 4.04 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 8.18 4.11 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 2.40 2.47 0.00 86 L 8.19 4.14 0.00 2.09 1.74 0.95 0.63 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 87 K 7.93 3.77 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.67 7.81 88 P 0.00 4.23 0.00 2.29 2.35 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 89 L 7.52 3.96 0.00 1.95 1.97 1.02 1.26 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 90 A 8.65 4.24 1.50 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 0.00 0.00 91 Q 8.40 3.85 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 92 S 8.09 4.04 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 93 H 8.44 4.06 0.00 3.59 3.59 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 8.08 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.32 3.83 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 7.45 3.96 0.00 1.53 1.57 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 H 7.82 4.33 0.00 2.99 3.15 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.42 3.44 0.00 1.80 1.81 0.00 1.55 0.00 0.00 2.35 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.27 7.81 99 I 8.02 4.41 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 1.14 0.00 0.00 100 P 0.00 4.58 0.00 1.93 1.97 0.00 3.15 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.39 0.00 101 I 8.14 3.59 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.20 0.82 0.00 0.00 102 K 8.01 3.57 0.00 1.72 1.66 0.00 1.31 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 0.74 7.81 103 Y 7.88 4.15 0.00 3.22 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 0.00 104 L 7.87 4.25 0.00 1.83 1.79 0.72 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.81 4.01 0.00 2.05 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 2.29 0.00 106 F 7.77 4.62 0.00 3.18 2.79 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 0.00 107 I 8.01 3.91 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 1.10 0.00 0.00 108 S 8.13 4.23 0.00 4.22 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 0.00 109 E 8.29 4.07 0.00 2.20 2.23 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 2.39 2.41 0.00 110 A 8.14 4.13 1.43 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 0.00 0.00 0.00 111 I 8.22 3.70 2.12 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 1.63 0.82 1.05 0.00 0.00 112 I 8.03 3.91 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 1.10 0.00 0.00 113 H 8.33 4.11 0.00 3.39 3.48 0.00 5.78 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 7.78 3.52 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 1.01 0.00 0.00 1.02 0.00 0.00 115 L 7.79 3.78 0.00 0.98 0.14 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.79 4.32 0.00 3.52 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.80 4.20 0.00 3.83 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 0.00 118 R 7.97 4.13 0.00 1.63 1.48 0.00 2.87 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 119 H 8.00 4.93 0.00 3.17 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.83 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 4.40 0.00 2.21 2.26 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 121 G 8.12 3.62 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 0.00 122 N 8.00 4.85 0.00 2.82 2.96 0.00 0.00 6.70 7.58 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 0.00 123 F 7.68 5.10 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.63 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 0.00 0.00 0.00 125 A 8.38 3.88 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 0.00 126 D 7.97 4.20 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.77 3.97 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 0.00 128 Q 8.02 3.13 0.00 0.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 129 G 8.02 3.45 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 0.00 130 A 7.98 3.84 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 0.00 131 M 8.16 3.93 0.00 2.33 2.36 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 2.76 2.91 0.00 132 N 8.29 4.26 0.00 2.92 2.95 0.00 0.00 6.89 7.57 0.00 0.00 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 K 8.06 3.75 0.00 1.97 1.58 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.39 7.81 134 A 8.00 3.83 1.22 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 0.00 135 L 8.17 4.13 0.00 1.77 1.83 1.00 0.74 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 8.48 3.96 0.00 2.19 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 2.34 2.52 0.00 137 L 8.12 3.94 0.00 1.86 2.01 1.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.16 0.00 3.10 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 0.00 139 R 8.27 3.42 0.00 1.91 1.80 0.00 3.14 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 1.56 1.99 0.00 140 K 8.29 3.90 0.00 1.76 1.96 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 7.97 4.39 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.53 3.57 1.29 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.35 0.22 0.00 0.00 143 A 7.78 3.62 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 7.97 3.96 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 0.00 145 K 8.09 4.06 0.00 2.07 1.94 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.50 4.35 0.00 3.24 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 0.00 147 K 8.19 3.94 0.00 1.99 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.99 4.07 0.00 2.19 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 2.36 2.37 0.00 149 L 7.79 4.43 0.00 1.81 1.69 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.28 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 0.00 151 Y 8.30 4.39 0.00 2.55 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 0.00 152 Q 7.80 3.16 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 153 G 7.91 3.23 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 0.00 0.00 0.00 0.00