NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8433 8.3544 109.7200 44.8605 0.0000 174.0560 4 D 4.2060 8.4952 122.9222 53.7111 42.8320 175.8554 5 K 4.0673 9.3711 127.8627 59.4944 32.7413 178.9701 6 K 4.2268 7.9370 119.7796 58.4126 32.0606 179.2346 7 V 3.6820 7.7796 118.9418 66.3133 31.3899 178.2285 8 I 3.8591 7.4403 117.9730 64.3960 36.3468 178.4710 9 Q 3.9884 7.8055 119.1680 59.1270 28.4212 178.5461 10 H 4.1326 8.4631 117.5201 58.8001 28.7185 177.6729 11 L 3.9906 8.4294 120.9673 58.2032 41.5629 179.3692 12 N 4.2658 8.5116 116.5033 56.2406 38.5082 177.4657 13 K 3.9487 8.1149 121.0543 59.4981 32.3330 178.9282 14 I 3.7294 8.0019 120.3577 64.3398 36.9572 178.1885 15 L 4.0639 8.3202 121.5492 58.0649 41.6031 179.1577 16 G 3.6910 8.1489 105.7315 47.9638 0.0000 175.4329 17 N 4.3960 7.9941 118.2379 55.9864 38.5791 177.5108 18 E 3.9006 8.3730 120.0480 59.4116 29.1682 178.9871 19 L 3.9135 8.1891 119.4679 58.2281 41.6926 179.9782 20 I 3.6727 7.4625 118.6614 64.3272 37.0432 178.4226 21 A 3.2953 7.7319 121.4857 54.7146 18.0620 179.2527 22 I 3.5578 7.9981 118.6830 65.1127 37.2583 178.2369 23 N 4.3341 7.7408 115.4167 56.2077 38.3225 177.3719 24 Q 3.8501 8.0001 120.8929 59.6022 29.1383 178.0670 25 Y 4.9954 8.0996 119.4546 60.6705 37.9729 178.3570 26 F 3.8820 8.4449 121.8531 60.9632 39.4078 177.0945 27 L 4.0242 8.2071 120.1164 58.5473 41.9664 178.6049 28 H 3.8202 8.4339 116.4919 58.5824 28.5027 177.7296 29 S 4.3441 8.3592 115.3175 61.7618 62.2695 176.5525 30 R 4.0039 7.7858 119.8510 58.7188 29.8176 179.0609 31 M 3.5221 7.9397 119.2495 58.0341 31.8338 178.6837 32 W 4.2730 7.7568 118.9463 59.6559 29.1408 178.4505 33 N 4.3186 8.2452 116.5101 56.5164 37.8614 176.7649 34 D 4.3952 7.7830 118.2654 57.3757 41.4293 178.3078 35 W 4.8625 7.6986 115.4725 56.7797 29.0018 177.1035 36 G 3.9572 8.7838 108.3663 46.0693 0.0000 174.6085 37 L 4.8392 8.2203 121.9104 53.5276 40.4459 177.8036 38 K 4.1692 8.2846 119.8764 58.5353 32.7213 179.3034 39 R 3.8908 8.0126 119.7667 59.2785 29.9123 178.4207 40 L 3.8761 7.7284 118.5573 57.4372 41.6056 179.4940 41 G 3.7246 7.8996 105.1240 47.7162 0.0000 175.6881 42 A 3.9192 7.8851 122.9521 55.0993 18.4878 179.2348 43 H 3.9735 8.0811 116.4273 59.4515 30.0180 177.1548 44 E 4.0636 8.5954 121.3155 59.2464 29.3518 178.2469 45 Y 3.9511 7.9068 119.7768 60.9555 38.8181 177.4135 46 H 4.2073 8.2671 117.1060 58.6147 28.7471 177.6724 47 E 3.8351 8.0332 120.5359 59.2807 29.2502 179.0676 48 S 4.2174 8.0203 112.9815 61.7678 62.3705 176.2073 49 I 3.5861 7.7986 122.6215 64.5290 36.8471 178.1049 50 D 4.2725 8.2287 119.6808 57.5336 40.5889 178.8042 51 E 4.0803 8.1481 118.7068 59.2664 29.4770 179.1072 52 M 4.0040 7.9190 119.1870 58.2558 31.8632 178.9120 53 K 3.9623 7.7037 118.6018 59.5846 32.3737 178.7899 54 H 4.1442 7.9314 116.2865 59.2363 28.6549 177.3534 55 A 3.9951 8.2785 122.2763 55.0777 18.1892 179.1777 56 D 4.2184 7.9550 116.2926 57.5033 41.3990 178.2753 57 K 3.8697 8.2958 119.3375 59.7680 32.0206 179.1925 58 L 4.0224 7.9311 118.7919 57.9018 41.5224 179.6375 59 I 3.7153 7.9475 119.7796 64.3768 37.0109 178.3647 60 E 3.9780 8.3496 119.4240 59.4304 29.3211 179.4026 61 R 4.0152 8.1577 118.6960 59.4245 30.0622 178.6318 62 I 3.7088 8.0770 119.7783 64.5185 37.1964 178.3035 63 L 3.9858 8.1058 119.8537 57.9104 41.1995 179.4943 64 F 4.3192 8.2609 119.6588 61.1455 39.4401 176.5188 65 L 3.8849 7.7714 114.9600 54.1199 41.6571 176.4850 66 E 3.7111 7.9315 117.5832 57.4843 27.3022 174.3654 67 G 3.9120 8.1008 107.1846 44.0545 0.0000 173.6313 68 L 4.4732 8.0031 119.1071 52.0936 41.6636 175.2078 69 P 4.3534 0.0000 0.0000 62.4732 31.7719 176.1485 70 N 4.7251 8.7995 121.7854 52.3484 38.7500 173.7338 71 L 4.5825 8.2962 123.7848 54.4791 42.3397 177.4339 72 Q 4.1072 8.2040 121.7451 57.5334 29.4328 175.5088 73 D 4.7172 8.0587 117.7551 52.5154 41.7047 175.1387 74 L 4.5984 8.3342 126.4105 52.9058 44.0481 176.7552 75 G 3.8649 8.3144 115.1799 44.6011 0.0000 171.6097 76 K 4.2231 8.3426 120.7434 55.3494 32.7855 177.1248 77 L 4.2363 8.3676 126.5055 54.5201 42.3241 177.1039 78 L 4.5402 8.4130 123.4792 53.0065 41.3038 174.4631 79 I 4.2619 7.9585 122.7015 59.5491 38.1684 176.6557 80 G 4.0148 8.6740 115.1773 44.8227 0.0000 172.4470 81 E 4.7330 9.0702 115.0396 55.5595 30.7557 175.4156 82 N 5.1052 7.6908 116.8291 50.8494 41.9959 174.8217 83 T 4.3918 8.6896 116.2391 67.2196 68.4029 176.5472 84 Q 4.0443 8.3213 120.9227 59.1645 29.0930 177.9652 85 E 4.0996 8.1853 119.1888 59.2253 29.5350 179.0634 86 M 3.8869 8.1615 119.0865 58.2605 31.9159 178.6502 87 L 4.1133 8.1233 119.1285 57.8695 41.7333 179.4592 88 Q 3.9284 7.9559 119.0163 59.3338 29.0352 177.5855 89 C 4.0102 8.5125 118.1523 63.2765 28.1927 175.8833 90 D 4.6553 8.3614 120.0150 57.5919 40.3988 178.7851 91 L 3.9562 8.2334 120.7928 58.3171 42.0134 178.7819 92 N 4.3481 8.5522 116.6961 56.3073 38.4459 177.1657 93 L 4.0095 8.0604 121.7454 58.2288 42.1624 178.9289 94 E 4.1020 8.5348 118.8373 59.2977 29.5580 179.2423 95 L 4.0478 8.3495 119.5332 57.5765 41.7422 179.4738 96 K 3.9932 8.4156 119.6569 59.4164 32.2283 178.8522 97 A 4.0889 8.3582 121.2768 55.1436 18.1207 179.8122 98 T 3.8095 8.0863 114.5014 66.6791 68.7096 176.6708 99 K 3.9260 7.9043 121.0314 59.8148 32.2694 178.5661 100 D 4.4448 8.0339 118.5313 57.2979 40.6516 178.8128 101 L 4.0674 7.9442 119.5512 57.7079 41.5853 179.7637 102 R 3.9526 7.8810 118.0038 59.3116 29.9164 178.9370 103 E 4.0034 8.1831 117.8104 59.2582 29.5337 179.2942 104 A 3.6424 8.1488 120.9897 54.7744 18.3055 179.8978 105 I 3.6472 7.7456 118.4909 64.4720 37.2682 178.4469 106 V 3.5478 7.7424 119.3076 66.6249 31.2147 177.5525 107 H 4.0813 7.9055 117.5936 59.4019 29.5868 177.0050 108 C 4.0213 7.9457 118.1830 62.7163 27.4410 175.5485 109 E 3.9705 8.4273 121.2142 59.4652 28.9506 178.7387 110 Q 3.9676 7.7052 118.5115 58.7757 29.2616 177.4314 111 V 3.7630 7.4184 110.4697 61.2205 31.6750 176.0984 112 H 3.2909 7.1716 113.9904 56.8893 26.7461 176.2903 113 D 4.4992 7.5586 121.6048 53.4014 38.3765 175.9933 114 Y 4.3849 7.3405 121.0468 59.9709 38.5098 177.4636 115 V 3.7290 7.7910 119.3922 65.9399 31.9090 178.0323 116 S 4.2026 8.6313 115.0346 61.2873 62.5425 176.6240 117 R 3.8824 7.8647 121.3020 59.5593 29.8857 178.0345 118 D 4.3304 8.1395 117.8178 57.1576 41.2088 177.8888 119 L 3.9406 7.7832 120.6627 58.3602 42.0481 179.1224 120 L 4.0526 7.9011 118.6283 57.4505 41.6599 179.3683 121 K 3.9688 8.2878 119.9229 59.4372 32.1004 178.7569 122 D 4.3362 8.1622 119.2260 57.4837 40.7346 178.6432 123 I 3.4951 7.6008 120.1784 64.2745 37.0727 178.1911 124 L 3.9403 8.2546 121.4594 58.2152 41.9289 178.7162 125 E 3.9850 8.1434 118.8859 59.1641 29.5783 178.7664 126 S 4.1897 7.8988 113.0025 61.3007 62.5337 175.9481 127 E 4.1480 8.6036 121.5986 59.4062 29.1354 179.1224 128 E 4.1189 8.4581 118.6366 59.0089 29.4506 179.0768 129 E 4.0504 8.1407 118.7038 59.5474 29.4220 178.7544 130 H 4.4058 8.3303 118.2391 59.3402 29.9122 177.2666 131 I 3.6800 7.9905 121.7042 64.5652 36.9655 177.8611 132 D 4.3210 8.2256 118.7825 57.3329 41.0373 177.6391 133 Y 4.1010 8.5100 120.4620 60.6958 38.8093 177.9296 134 L 3.5718 8.1264 119.9001 57.9185 41.7188 179.1727 135 E 3.8699 8.2328 118.3337 60.1172 29.4296 179.8837 136 T 3.8211 7.8019 115.3864 66.4291 68.4351 177.0016 137 Q 3.7536 7.6509 120.1031 58.7562 28.1846 178.5579 138 L 3.8706 7.8495 120.2057 57.7865 41.6210 179.9340 139 G 3.5984 8.2008 105.6627 47.5702 0.0000 175.8227 140 L 4.0006 7.6816 121.3141 57.5419 41.7714 179.1796 141 I 3.4972 7.2126 119.8106 64.7683 36.8288 178.4748 142 Q 4.0003 7.4076 116.2562 58.7183 28.5665 178.5190 143 K 4.2348 7.6149 118.0620 57.9473 32.3653 177.9605 144 V 4.2969 7.9390 109.0543 59.9680 33.6538 175.6444 145 G 4.0232 8.2170 109.4986 45.8452 0.0000 174.2295 146 L 3.9722 8.6997 124.1228 58.3705 41.8954 179.4548 147 E 3.9513 8.0817 117.5888 59.5478 29.6115 178.6087 148 N 4.3073 8.2209 115.9425 56.6687 38.4194 176.5864 149 Y 4.0235 8.1627 119.6862 60.8238 39.1784 177.9087 150 L 4.0510 8.3386 120.0609 57.4965 41.7115 179.1085 151 Q 3.9295 8.0447 119.6314 59.4070 28.8564 178.4515 152 S 4.3344 7.8411 112.0715 59.9722 62.9217 174.2930 153 H 4.6768 7.8442 118.3045 55.5681 30.1616 175.5257 154 M 4.1883 8.1171 121.0225 57.9935 31.8808 176.2920 155 H 5.1343 7.6398 113.4539 54.1566 31.0116 174.9238 156 E 4.1664 8.5622 119.9049 56.7638 29.4499 176.6620 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 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.50 4.21 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.37 4.07 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 6 K 7.94 4.23 0.00 1.81 1.63 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.31 7.81 7 V 7.78 3.68 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 8 I 7.44 3.86 2.02 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 1.52 0.61 0.91 0.00 0.00 9 Q 7.81 3.99 0.00 2.16 2.08 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 2.35 2.58 0.00 10 H 8.46 4.13 0.00 3.46 3.34 0.00 5.63 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 11 L 8.43 3.99 0.00 1.78 1.75 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.51 4.27 0.00 2.98 2.87 0.00 0.00 6.75 6.76 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 13 K 8.11 3.95 0.00 1.94 1.94 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.24 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 8.00 3.73 2.00 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 1.75 0.82 0.92 0.00 0.00 15 L 8.32 4.06 0.00 1.75 1.90 0.92 1.37 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 16 G 8.15 3.69 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 0.00 0.00 0.00 17 N 7.99 4.40 0.00 3.01 2.88 0.00 0.00 7.00 6.99 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 18 E 8.37 3.90 0.00 2.12 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 2.57 2.52 0.00 19 L 8.19 3.91 0.00 1.80 1.71 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.46 3.67 1.97 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 1.42 0.86 0.90 0.00 0.00 21 A 7.73 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.00 3.56 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.85 0.00 0.00 23 N 7.74 4.33 0.00 2.79 2.82 0.00 0.00 6.77 7.47 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 24 Q 8.00 3.85 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 25 Y 8.10 5.00 0.00 3.07 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.44 3.88 0.00 3.35 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.21 4.02 0.00 1.90 1.81 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.43 3.82 0.00 3.52 2.81 0.00 5.69 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 29 S 8.36 4.34 0.00 4.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.79 4.00 0.00 1.95 1.91 0.00 2.97 0.00 0.00 2.95 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 31 M 7.94 3.52 0.00 1.00 1.72 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.27 0.00 32 W 7.76 4.27 0.00 3.70 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 33 N 8.25 4.32 0.00 2.90 2.84 0.00 0.00 6.55 8.22 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 34 D 7.78 4.40 0.00 2.64 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 35 W 7.70 4.86 0.00 3.60 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.78 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 37 L 8.22 4.84 0.00 2.20 1.69 1.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.28 4.17 0.00 2.00 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 39 R 8.01 3.89 0.00 2.02 1.86 0.00 3.15 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 40 L 7.73 3.88 0.00 1.34 0.30 0.50 0.14 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 G 7.90 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 42 A 7.89 3.92 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 43 H 8.08 3.97 0.00 3.26 3.23 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 44 E 8.60 4.06 0.00 2.56 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 0.00 2.82 2.68 0.00 45 Y 7.91 3.95 0.00 3.04 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 46 H 8.27 4.21 0.00 3.34 3.25 0.00 5.87 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 47 E 8.03 3.84 0.00 2.08 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 2.31 2.23 0.00 48 S 8.02 4.22 0.00 4.07 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 49 I 7.80 3.59 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 0.84 0.28 0.85 0.00 0.00 50 D 8.23 4.27 0.00 2.99 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 51 E 8.15 4.08 0.00 2.01 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 2.65 2.66 0.00 52 M 7.92 4.00 0.00 2.04 2.29 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 53 K 7.70 3.96 0.00 1.80 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 54 H 7.93 4.14 0.00 3.43 3.38 0.00 5.64 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 55 A 8.28 4.00 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 56 D 7.95 4.22 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.30 3.87 0.00 2.00 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.68 7.81 58 L 7.93 4.02 0.00 1.89 1.73 0.98 0.87 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 59 I 7.95 3.72 2.00 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 1.53 0.76 0.92 0.00 0.00 60 E 8.35 3.98 0.00 2.18 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 2.43 0.00 61 R 8.16 4.02 0.00 2.06 2.12 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.08 3.71 2.01 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 0.74 0.94 0.00 0.00 63 L 8.11 3.99 0.00 2.09 1.79 0.98 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 64 F 8.26 4.32 0.00 2.97 3.26 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 65 L 7.77 3.88 0.00 1.79 1.62 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.93 3.71 0.00 2.03 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 2.19 2.13 0.00 67 G 8.10 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 68 L 8.00 4.47 0.00 1.63 1.63 0.91 0.99 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 69 P 0.00 4.35 0.00 2.04 1.99 0.00 3.63 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 2.03 2.08 0.00 70 N 8.80 4.73 0.00 2.64 2.85 0.00 0.00 7.10 7.63 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 71 L 8.30 4.58 0.00 1.62 1.63 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.20 4.11 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.06 4.72 0.00 2.68 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 74 L 8.33 4.60 0.00 1.52 1.51 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.31 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 76 K 8.34 4.22 0.00 1.70 1.72 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.52 7.81 77 L 8.37 4.24 0.00 1.64 1.55 0.88 0.95 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 78 L 8.41 4.54 0.00 1.68 1.64 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.96 4.26 1.89 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 1.34 0.78 0.91 0.00 0.00 80 G 8.67 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 81 E 9.07 4.73 0.00 2.11 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 2.51 2.22 0.00 82 N 7.69 5.11 0.00 2.89 2.87 0.00 0.00 6.23 7.22 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 83 T 8.69 4.39 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 84 Q 8.32 4.04 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 85 E 8.19 4.10 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 2.42 2.41 0.00 86 M 8.16 3.89 0.00 1.50 2.27 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.99 0.00 87 L 8.12 4.11 0.00 1.74 1.71 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.96 3.93 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.51 4.01 0.00 3.27 3.25 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 90 D 8.36 4.66 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.23 3.96 0.00 1.84 1.88 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.55 4.35 0.00 2.94 2.88 0.00 0.00 6.69 6.94 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 93 L 8.06 4.01 0.00 1.87 1.99 0.93 1.02 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 94 E 8.53 4.10 0.00 2.23 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 2.70 2.56 0.00 95 L 8.35 4.05 0.00 1.82 1.74 0.94 0.70 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 96 K 8.42 3.99 0.00 1.89 2.08 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.36 4.09 1.44 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 0.00 0.00 98 T 8.09 3.81 4.57 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 1.24 0.00 0.00 99 K 7.90 3.93 0.00 1.88 1.97 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.54 7.81 100 D 8.03 4.44 0.00 2.86 2.73 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 0.00 101 L 7.94 4.07 0.00 2.03 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.88 3.95 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 103 E 8.18 4.00 0.00 2.09 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 2.35 2.44 0.00 104 A 8.15 3.64 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 0.00 105 I 7.75 3.65 1.99 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 1.42 0.89 0.93 0.00 0.00 106 V 7.74 3.55 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 1.00 0.00 0.00 1.02 0.00 0.00 107 H 7.91 4.08 0.00 3.18 3.29 0.00 5.84 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 0.00 108 C 7.95 4.02 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.43 3.97 0.00 2.12 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 2.37 2.45 0.00 110 Q 7.71 3.97 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 111 V 7.42 3.76 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.82 0.00 0.00 112 H 7.17 3.29 0.00 3.16 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.56 4.50 0.00 2.60 2.46 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 0.00 114 Y 7.34 4.38 0.00 3.08 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 0.00 115 V 7.79 3.73 2.15 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 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.63 4.20 0.00 4.11 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 0.00 117 R 7.86 3.88 0.00 1.98 2.20 0.00 3.23 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 118 D 8.14 4.33 0.00 3.13 2.67 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 0.00 119 L 7.78 3.94 0.00 1.98 1.78 0.94 0.62 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 0.00 120 L 7.90 4.05 0.00 1.94 1.70 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.29 3.97 0.00 2.12 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.16 4.34 0.00 2.93 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 0.00 123 I 7.60 3.50 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 0.83 0.00 0.00 124 L 8.25 3.94 0.00 1.90 1.92 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.14 3.99 0.00 2.13 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 2.33 2.33 0.00 126 S 7.90 4.19 0.00 4.00 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 0.00 127 E 8.60 4.15 0.00 2.18 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 0.00 2.58 2.55 0.00 128 E 8.46 4.12 0.00 2.20 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 2.36 2.49 0.00 129 E 8.14 4.05 0.00 2.24 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 2.37 2.35 0.00 130 H 8.33 4.41 0.00 3.29 3.51 0.00 5.62 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 0.00 131 I 7.99 3.68 1.91 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 1.44 0.55 0.96 0.00 0.00 132 D 8.23 4.32 0.00 2.92 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 0.00 133 Y 8.51 4.10 0.00 3.11 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 0.00 134 L 8.13 3.57 0.00 1.99 1.62 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.23 3.87 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 2.30 2.47 0.00 136 T 7.80 3.82 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 Q 7.65 3.75 0.00 1.81 1.82 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 1.33 1.75 0.00 138 L 7.85 3.87 0.00 1.66 1.61 0.83 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 0.00 139 G 8.20 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 0.00 140 L 7.68 4.00 0.00 1.81 1.80 1.03 0.85 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 0.00 141 I 7.21 3.50 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.04 0.80 0.00 0.00 142 Q 7.41 4.00 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 7.61 4.23 0.00 1.82 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 144 V 7.94 4.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.12 0.00 0.00 145 G 8.22 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.70 3.97 0.00 1.77 1.72 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.08 3.95 0.00 2.03 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 2.41 2.35 0.00 148 N 8.22 4.31 0.00 3.11 2.91 0.00 0.00 6.65 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.16 4.02 0.00 2.94 3.18 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 0.00 150 L 8.34 4.05 0.00 1.90 1.75 0.98 1.22 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 0.00 151 Q 8.04 3.93 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 152 S 7.84 4.33 0.00 3.88 3.70 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 0.00 153 H 7.84 4.68 0.00 2.91 3.03 0.00 5.81 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 0.00 154 M 8.12 4.19 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.45 0.00 155 H 7.64 5.13 0.00 3.08 3.15 0.00 5.71 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 0.00 156 E 8.56 4.17 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00