NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1369 8.0549 114.0573 61.0126 33.0374 174.8051 2 L 4.0669 8.1462 122.2084 52.2150 42.4328 176.2314 3 S 4.5179 9.1396 118.6388 57.8407 66.2555 174.8376 4 E 4.3057 8.7625 121.4527 59.3502 29.4570 178.6833 5 G 3.6537 8.0882 105.5070 47.7663 0.0000 175.4404 6 E 4.0018 8.0440 120.4455 58.8873 29.4327 179.3776 7 W 4.3864 8.5465 119.4865 59.5758 28.9654 178.7201 8 Q 4.0959 8.2163 118.3821 59.0040 28.1339 178.3663 9 L 4.0441 7.8443 119.6977 57.8860 41.6591 179.8896 10 V 3.7164 7.8789 117.8271 66.3081 31.5927 178.2647 11 L 4.2845 8.4021 118.6361 57.6496 41.5644 179.0771 12 H 4.1878 8.5909 118.7040 59.4771 29.8870 177.7606 13 V 3.6862 7.8003 113.9869 64.1507 31.3830 178.3522 14 W 3.8125 8.5773 127.9374 60.3203 30.2622 177.8925 15 A 4.0397 8.1368 120.1442 54.8932 18.0722 179.4763 16 K 3.9409 7.4386 116.2145 59.4548 32.0951 179.6108 17 V 2.9049 7.1439 118.5093 65.6535 30.9806 177.3238 18 E 3.9982 7.4298 115.5285 57.4891 29.4450 178.3424 19 A 4.1756 7.4404 121.1389 54.1314 20.1318 177.7308 20 D 4.6642 7.8761 116.3034 52.1039 42.6560 175.5293 21 V 3.4682 7.8260 122.8049 65.6474 32.0328 176.8373 22 A 4.1112 7.9277 120.2433 55.0525 18.3387 179.7376 23 G 3.4889 8.4785 104.3324 48.0889 0.0000 175.8069 24 H 4.1750 8.1971 118.3034 58.4722 28.7053 177.9664 25 G 3.6476 8.5591 107.8831 47.9464 0.0000 175.4997 26 Q 3.8474 8.0691 120.5342 58.8420 28.7135 178.6112 27 D 4.3231 7.9430 119.6064 57.5866 40.8133 179.3171 28 I 3.6526 7.6198 119.9700 64.3119 37.0692 178.5120 29 L 3.4191 7.5962 119.7629 57.6657 41.3305 179.6968 30 I 3.6169 7.5361 119.6786 64.1690 36.9077 178.4730 31 R 3.7765 8.0944 119.8204 59.1593 29.8871 178.0716 32 L 3.9145 7.9957 120.4898 58.5680 41.8408 179.1988 33 F 4.6214 8.1778 117.7205 60.3182 38.5387 178.0421 34 K 4.0267 8.0883 117.7441 59.5681 32.0647 179.3500 35 S 4.2621 8.0590 114.4017 60.3142 64.0696 174.4118 36 H 4.6663 8.0358 118.4579 52.1980 29.0699 171.9740 37 P 4.6203 0.0000 0.0000 64.4834 31.4566 177.4626 38 E 4.0299 8.3141 116.5206 59.6364 29.3192 179.2660 39 T 3.8921 8.3064 111.3423 64.5411 68.8741 176.3810 40 L 3.5915 7.8489 123.3321 57.7710 41.7786 178.7215 41 E 4.0904 7.7076 116.2697 58.9135 29.4161 178.9341 42 K 4.3855 8.0016 117.0272 57.1157 32.6394 177.3913 43 F 4.6390 8.1183 118.9592 55.4680 39.4964 175.4865 44 D 4.4317 8.6323 125.3056 57.2599 40.8897 179.4528 45 R 4.0882 7.7153 113.1707 57.4659 30.0297 176.7584 46 F 5.0330 7.6134 116.1399 56.9245 40.1291 177.1402 47 K 3.8479 7.7382 119.9816 59.7595 31.8998 177.7750 48 H 4.4022 8.1291 111.8524 56.8167 28.9666 175.0727 49 L 4.2152 7.7126 121.8918 54.2831 41.6015 176.5876 50 K 4.4790 9.5621 123.1154 56.0932 34.2821 176.4269 51 T 4.7343 7.5238 108.3628 58.8798 73.1398 174.2812 52 E 3.8807 8.5680 120.8736 59.2443 29.4587 178.2911 53 A 3.9682 7.9774 119.3882 55.4994 18.5698 179.0172 54 E 4.0645 8.3049 116.8235 59.7311 29.3847 179.5695 55 M 4.0309 8.0775 118.8611 58.3309 31.8329 178.9825 56 K 3.9910 8.2424 117.4415 58.6847 32.2430 178.3723 57 A 4.4642 7.3546 119.4019 51.6616 19.4707 177.1358 58 S 4.2275 7.3443 113.7385 57.8754 62.8875 174.5986 59 E 4.0680 8.8388 128.5492 58.9068 29.4833 178.1203 60 D 4.4208 8.1061 118.1042 57.1023 41.4629 177.3155 61 L 3.5060 8.1306 120.9783 58.2697 41.8618 178.8333 62 K 3.8301 7.8228 118.8786 59.4354 31.8805 178.4422 63 K 3.8908 8.4571 120.1205 59.8575 32.1230 178.0754 64 H 4.5569 8.4857 115.4909 57.4829 28.9579 177.8099 65 G 3.6303 8.2412 108.3127 47.7385 0.0000 175.9819 66 V 3.6830 7.6769 120.6470 65.9138 31.3629 178.3304 67 T 3.9016 7.6149 115.6574 66.5198 68.3390 176.8055 68 V 3.6530 7.8855 120.0363 66.2186 31.6123 178.2188 69 L 4.3230 7.9801 118.3059 57.8695 41.3747 179.6671 70 T 4.0412 8.1545 116.0056 66.3843 68.3094 176.8096 71 A 4.0352 7.9400 122.7180 54.8261 18.3199 179.4594 72 L 3.6771 8.1034 119.0857 58.2271 42.1754 179.5288 73 G 3.1587 8.4381 105.6882 47.4951 0.0000 175.4643 74 A 4.0054 7.7634 122.2776 54.8826 18.5286 179.6862 75 I 3.7737 7.2731 118.1010 64.5936 37.3317 178.2883 76 L 3.9146 7.6759 119.9985 57.9038 41.2197 179.1302 77 K 4.1518 7.5934 114.8841 56.9901 32.3503 178.1006 78 K 4.0880 7.8818 119.2366 55.2141 33.0734 176.3606 79 K 2.0000 7.9856 118.7798 56.4569 29.6558 175.1481 80 G 3.9206 7.7212 106.8608 45.7058 0.0000 173.3111 81 H 4.5109 7.5114 119.4858 55.0587 27.4113 174.8543 82 H 5.2121 7.1034 110.7850 54.5534 29.9195 177.2666 83 E 3.9949 8.4088 121.9643 60.4055 29.0805 178.7447 84 A 4.1096 7.9279 118.8332 54.7381 18.9531 178.8965 85 E 4.1472 8.1292 116.9750 58.9229 29.8150 178.4691 86 L 4.0904 8.1588 120.2270 57.2258 42.3114 178.2226 87 K 3.8253 7.9181 119.4480 59.4480 32.0923 176.6526 88 P 4.2652 0.0000 0.0000 65.4977 31.1793 178.3108 89 L 3.9668 7.4531 116.4925 58.1936 42.0255 178.7395 90 A 4.1358 8.1523 120.6339 55.3530 18.2785 179.4171 91 Q 3.8455 8.1718 116.6262 59.3528 28.8975 179.6180 92 S 4.0068 8.1423 114.9307 61.5240 63.1582 175.9490 93 H 4.4882 8.6887 119.5677 57.7554 27.0247 177.6287 94 A 2.9495 7.9174 123.4915 54.7263 18.0562 179.3985 95 T 3.7657 7.1782 106.1260 62.6873 69.5014 175.7100 96 K 4.1251 7.4004 120.7417 58.3206 33.0629 176.9711 97 H 4.3153 8.1230 114.1946 56.0396 29.5098 175.2946 98 K 3.7073 6.9794 117.3124 57.3224 29.1370 176.0215 99 I 4.2570 8.1560 119.0960 58.6063 38.7844 175.0503 100 P 4.7111 0.0000 0.0000 61.6496 32.2594 177.2464 101 I 3.3753 8.2371 120.7136 64.6552 36.8468 178.3647 102 K 3.6451 7.8809 119.6710 59.7782 31.8742 178.2478 103 Y 4.1945 7.9207 116.9225 60.9593 37.7663 178.3923 104 L 4.1421 7.8861 119.9449 57.4275 41.6088 179.0737 105 E 3.9816 7.8502 119.2477 59.0176 29.6914 178.6657 106 F 4.5170 7.7370 117.9851 60.8040 39.0147 177.5572 107 I 3.8458 8.2207 118.2749 63.9790 37.7539 177.8655 108 S 4.2435 8.3287 116.3066 61.9762 62.7471 176.6952 109 E 4.1169 8.2909 120.3487 59.0905 29.1655 179.3694 110 A 4.0237 8.0958 120.9145 55.1212 18.4473 179.4093 111 I 3.6943 8.1983 118.8669 65.0149 37.1264 178.7406 112 I 3.8330 7.8691 120.2390 64.3806 36.9159 178.0011 113 H 4.1089 8.4240 119.2316 59.4121 29.7799 177.5970 114 V 3.6716 7.8432 121.3156 65.4092 31.4751 177.9400 115 L 3.8339 7.9880 118.9202 57.8233 41.0106 179.0126 116 H 4.4285 7.5775 117.8559 59.1168 30.2148 177.1938 117 S 4.1965 8.2361 116.0142 60.6485 62.7757 175.8759 118 R 4.3044 7.6803 119.6290 56.5520 31.4602 176.1681 119 H 4.9506 7.9908 116.3290 53.6975 30.0228 172.9448 120 P 4.1870 0.0000 0.0000 66.0315 31.6878 179.6846 121 G 3.6598 8.1371 105.2008 47.9713 0.0000 173.6295 122 D 4.8387 8.0987 117.3500 54.1574 42.0453 176.0842 123 F 4.9937 8.2140 121.1845 56.9169 39.4917 174.6710 124 G 3.8757 7.5422 109.0610 44.2528 0.0000 171.9208 125 A 3.9219 8.4110 120.7940 55.0071 18.3267 179.6195 126 D 4.2526 7.9731 117.1481 56.5559 39.3892 178.6248 127 A 3.9061 7.6494 121.6726 54.5251 18.5535 178.9100 128 Q 3.3029 7.6132 118.6306 59.1500 28.9721 179.0544 129 G 3.5583 8.3217 106.5650 47.8829 0.0000 175.4845 130 A 3.8753 7.8861 123.5054 54.9301 18.3369 179.4500 131 M 4.0523 8.4473 117.2153 58.6410 32.2775 177.9789 132 N 4.3616 8.4088 117.4684 56.5319 39.1399 176.9881 133 K 3.8783 8.0242 119.7013 59.4194 32.1530 179.1963 134 A 3.8645 7.8381 120.9354 55.1147 18.3940 179.7201 135 L 4.0679 8.3870 117.9761 57.9585 41.5873 179.5869 136 E 3.9973 8.6623 119.0796 59.1849 29.5015 179.0197 137 L 3.9674 8.0717 120.4081 58.3471 42.2018 178.9521 138 F 4.2842 8.3294 120.4425 61.1369 39.2105 177.1479 139 R 3.4686 7.9666 118.3511 58.9831 29.8065 178.3592 140 K 3.8704 8.2822 119.8279 59.6095 32.0423 178.5747 141 D 4.4051 8.0203 118.8707 57.1857 40.7038 178.8184 142 I 3.6309 7.4442 120.2946 64.0382 36.9370 178.2726 143 A 3.7798 7.9705 121.5946 54.8466 18.1388 179.5871 144 A 3.9501 7.7082 119.2827 55.1956 18.5516 180.0747 145 K 4.0168 7.9098 117.2131 59.5825 32.1271 179.0250 146 Y 4.1283 8.6006 117.6132 61.0633 37.9242 178.6826 147 K 3.8970 8.3804 120.3615 59.6456 32.1230 177.9567 148 E 3.9239 7.8433 117.9752 59.6909 29.5772 178.6052 149 L 4.3438 7.6565 116.0432 55.4443 41.8719 177.8326 150 G 4.0344 7.7531 107.2650 45.5562 0.0000 173.7543 151 Y 4.2976 8.1418 115.1550 56.8489 39.1423 175.4249 152 Q 3.8490 8.0931 120.7770 57.8630 28.8926 177.1602 153 G 4.0330 9.2790 113.3054 45.9589 0.0000 173.1055 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 V 8.05 4.14 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 0.93 0.00 0.00 0.96 0.00 0.00 2 L 8.15 4.07 0.00 0.74 0.72 0.57 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.14 4.52 0.00 4.04 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 4 E 8.76 4.31 0.00 2.19 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 2.43 2.51 0.00 5 G 8.09 3.65 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 0.00 0.00 0.00 6 E 8.04 4.00 0.00 1.94 1.75 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 2.22 2.27 0.00 7 W 8.55 4.39 0.00 3.53 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 8 Q 8.22 4.10 0.00 2.46 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 9 L 7.84 4.04 0.00 1.90 1.77 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 3.72 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 1.22 0.00 0.00 0.88 0.00 0.00 11 L 8.40 4.28 0.00 1.88 1.82 0.94 0.89 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 12 H 8.59 4.19 0.00 3.43 3.54 0.00 5.78 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 13 V 7.80 3.69 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 1.08 0.00 0.00 1.19 0.00 0.00 14 W 8.58 3.81 0.00 3.66 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 15 A 8.14 4.04 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 16 K 7.44 3.94 0.00 1.55 1.71 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.44 7.81 17 V 7.14 2.90 0.75 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 -0.02 0.00 0.00 0.26 0.00 0.00 18 E 7.43 4.00 0.00 2.04 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 2.26 2.17 0.00 19 A 7.44 4.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.88 4.66 0.00 2.71 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 7.83 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 0.82 0.00 0.00 0.89 0.00 0.00 22 A 7.93 4.11 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 8.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.20 4.17 0.00 3.27 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 8.56 3.65 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 0.00 0.00 0.00 26 Q 8.07 3.85 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 27 D 7.94 4.32 0.00 2.75 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 7.62 3.65 1.89 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 1.52 0.70 0.90 0.00 0.00 29 L 7.60 3.42 0.00 1.34 0.90 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.54 3.62 1.86 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 0.56 0.87 0.00 0.00 31 R 8.09 3.78 0.00 1.80 2.01 0.00 3.06 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 32 L 8.00 3.91 0.00 1.74 1.47 1.07 0.95 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 33 F 8.18 4.62 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.09 4.03 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 35 S 8.06 4.26 0.00 3.74 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 36 H 8.04 4.67 0.00 3.03 2.83 0.00 5.62 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 37 P 0.00 4.62 0.00 2.14 2.08 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 38 E 8.31 4.03 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.53 0.00 39 T 8.31 3.89 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 40 L 7.85 3.59 0.00 1.24 1.72 -0.03 0.78 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 7.71 4.09 0.00 2.28 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 2.53 0.00 42 K 8.00 4.39 0.00 1.81 1.58 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.69 1.83 7.81 43 F 8.12 4.64 0.00 3.22 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 44 D 8.63 4.43 0.00 2.67 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 45 R 7.72 4.09 0.00 1.61 1.80 0.00 2.67 0.00 0.00 2.57 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 46 F 7.61 5.03 0.00 2.88 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 47 K 7.74 3.85 0.00 1.95 1.92 0.00 1.73 0.00 0.00 2.01 0.00 0.00 3.16 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.59 1.59 7.81 48 H 8.13 4.40 0.00 3.29 3.43 0.00 5.52 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 7.71 4.22 0.00 1.62 1.58 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.56 4.48 0.00 1.77 1.81 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.47 7.81 51 T 7.52 4.73 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 8.57 3.88 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 7.98 3.97 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 54 E 8.30 4.06 0.00 2.15 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 2.35 0.00 55 M 8.08 4.03 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 56 K 8.24 3.99 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.35 4.46 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.34 4.23 0.00 3.87 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 59 E 8.84 4.07 0.00 2.14 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 0.00 2.39 2.45 0.00 60 D 8.11 4.42 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.13 3.51 0.00 1.50 1.68 0.15 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.83 0.00 1.96 1.94 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 63 K 8.46 3.89 0.00 1.95 2.07 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.44 7.81 64 H 8.49 4.56 0.00 3.57 3.55 0.00 5.87 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 8.24 3.63 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 0.00 0.00 0.00 66 V 7.68 3.68 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 1.04 0.00 0.00 0.98 0.00 0.00 67 T 7.61 3.90 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 V 7.89 3.65 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 1.13 0.00 0.00 1.15 0.00 0.00 69 L 7.98 4.32 0.00 1.84 1.88 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.15 4.04 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 71 A 7.94 4.04 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 72 L 8.10 3.68 0.00 1.76 1.77 0.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 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 0.00 0.00 0.00 74 A 7.76 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.27 3.77 1.76 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 0.62 0.82 0.00 0.00 76 L 7.68 3.91 0.00 1.28 1.53 -0.09 0.92 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 77 K 7.59 4.15 0.00 1.65 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.47 7.81 78 K 7.88 4.09 0.00 1.79 1.80 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.57 7.81 79 K 7.99 2.00 0.00 1.18 0.74 0.00 1.48 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.40 0.71 7.81 80 G 7.72 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 7.51 4.51 0.00 3.10 3.25 0.00 5.81 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 7.10 5.21 0.00 3.31 3.44 0.00 5.65 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 83 E 8.41 3.99 0.00 2.10 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 2.42 2.47 0.00 84 A 7.93 4.11 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 8.13 4.15 0.00 2.26 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 2.38 2.42 0.00 86 L 8.16 4.09 0.00 1.92 1.69 0.96 0.40 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 87 K 7.92 3.83 0.00 2.06 1.83 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 88 P 0.00 4.27 0.00 2.23 2.12 0.00 3.75 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 2.14 2.17 0.00 89 L 7.45 3.97 0.00 1.93 1.81 1.00 1.18 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 90 A 8.15 4.14 1.46 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 0.00 0.00 91 Q 8.17 3.85 0.00 2.27 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 2.36 2.64 0.00 92 S 8.14 4.01 0.00 3.97 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.69 4.49 0.00 3.45 3.53 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 7.92 2.95 0.06 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 95 T 7.18 3.77 4.09 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 0.00 0.00 0.88 0.00 0.00 96 K 7.40 4.13 0.00 1.57 1.67 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.13 1.33 7.81 97 H 8.12 4.32 0.00 2.96 3.17 0.00 5.86 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 6.98 3.71 0.00 1.96 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.52 7.81 99 I 8.16 4.26 2.03 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 1.51 0.92 1.06 0.00 0.00 100 P 0.00 4.71 0.00 1.98 2.01 0.00 3.01 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.36 0.00 101 I 8.24 3.38 1.71 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.70 0.00 0.00 102 K 7.88 3.65 0.00 1.72 1.67 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 0.69 7.81 103 Y 7.92 4.19 0.00 3.18 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 0.00 104 L 7.89 4.14 0.00 1.74 1.69 0.56 0.87 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 0.00 105 E 7.85 3.98 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 106 F 7.74 4.52 0.00 3.28 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 8.22 3.85 2.03 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 1.61 1.45 1.10 0.00 0.00 108 S 8.33 4.24 0.00 4.17 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 0.00 109 E 8.29 4.12 0.00 2.23 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 2.64 2.61 0.00 110 A 8.10 4.02 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 0.00 111 I 8.20 3.69 2.11 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 1.61 0.86 1.06 0.00 0.00 112 I 7.87 3.83 2.00 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 1.68 1.48 1.15 0.00 0.00 113 H 8.42 4.11 0.00 3.42 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.84 3.67 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 1.04 0.00 0.00 0.99 0.00 0.00 115 L 7.99 3.83 0.00 0.70 0.56 0.75 0.68 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 0.00 116 H 7.58 4.43 0.00 3.44 3.56 0.00 5.95 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 0.00 117 S 8.24 4.20 0.00 4.04 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 0.00 118 R 7.68 4.30 0.00 1.58 1.56 0.00 2.71 0.00 0.00 2.79 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 119 H 7.99 4.95 0.00 3.22 3.17 0.00 5.66 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 0.00 120 P 0.00 4.19 0.00 2.16 2.10 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 121 G 8.14 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 0.00 122 D 8.10 4.84 0.00 2.77 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 0.00 123 F 8.21 4.99 0.00 3.00 3.03 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 0.00 0.00 0.00 124 G 7.54 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.41 3.92 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 4.25 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.65 3.91 1.21 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 0.00 0.00 128 Q 7.61 3.30 0.00 1.51 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 129 G 8.32 3.56 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 0.00 0.00 0.00 130 A 7.89 3.88 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 0.00 131 M 8.45 4.05 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.41 4.36 0.00 2.97 2.94 0.00 0.00 7.18 6.27 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 0.00 133 K 8.02 3.88 0.00 1.89 1.67 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.50 7.81 134 A 7.84 3.86 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 8.39 4.07 0.00 1.92 1.83 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.66 4.00 0.00 2.13 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 2.55 0.00 137 L 8.07 3.97 0.00 1.87 1.95 1.01 1.00 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 0.00 138 F 8.33 4.28 0.00 3.03 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 0.00 139 R 7.97 3.47 0.00 2.20 1.86 0.00 3.09 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 140 K 8.28 3.87 0.00 1.82 2.04 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 141 D 8.02 4.41 0.00 2.97 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 0.00 142 I 7.44 3.63 1.49 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 1.03 -0.01 0.42 0.00 0.00 143 A 7.97 3.78 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.71 3.95 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 7.91 4.02 0.00 2.10 1.95 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.55 7.81 146 Y 8.60 4.13 0.00 3.13 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 0.00 147 K 8.38 3.90 0.00 2.00 1.98 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.84 3.92 0.00 2.05 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 2.36 2.40 0.00 149 L 7.66 4.34 0.00 2.00 1.93 0.87 0.92 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 0.00 150 G 7.75 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.14 4.30 0.00 2.74 2.76 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 0.00 152 Q 8.09 3.85 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 153 G 9.28 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00