NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9196 8.0544 114.0499 61.4388 32.8952 174.8605 2 H 4.4087 8.5670 122.1432 54.6805 29.2245 172.8273 3 L 4.7086 7.6909 126.6784 52.4294 45.6693 177.0940 4 T 4.1100 8.0493 112.6930 60.7964 70.9393 174.0018 5 P 4.1668 0.0000 0.0000 65.8774 31.2649 178.9007 6 E 3.9556 8.0243 116.9139 59.2941 29.4457 179.0300 7 E 3.8985 8.2989 118.8425 59.3085 29.4910 179.3889 8 K 3.8182 8.1401 118.9241 59.6440 32.1771 179.5940 9 S 4.1178 8.1223 114.0627 61.1415 62.9634 176.4354 10 A 3.9716 7.9627 124.5562 54.9202 18.1491 179.5465 11 V 3.4259 7.8100 116.7664 66.6541 31.7092 178.3538 12 T 3.9733 8.2812 115.4355 66.4501 68.0407 176.4782 13 A 4.0109 7.9406 121.7175 55.2524 18.8064 179.1398 14 L 3.8577 7.9179 118.4607 58.0082 42.1796 178.9345 15 W 4.4030 8.6673 128.5026 60.3868 30.3861 178.0930 16 G 3.7740 8.1068 104.5612 46.9082 0.0000 174.7328 17 K 4.3835 7.7530 118.2767 55.5416 32.9525 176.7526 18 V 3.6969 6.9818 120.1637 62.0751 32.1970 175.7554 19 N 4.5523 8.2247 124.9369 52.1257 39.1024 175.5482 20 V 3.4828 8.0899 128.4156 66.2003 31.6945 177.3781 21 D 4.3281 8.0765 118.0273 57.1369 40.7249 178.2103 22 E 3.8227 8.3295 119.7899 59.4203 29.7301 179.0634 23 V 3.5641 8.0526 118.7685 65.6472 31.4913 178.1537 24 G 3.6936 8.3227 105.8331 47.8276 0.0000 175.8738 25 G 3.6243 8.0159 108.8590 47.2648 0.0000 175.3768 26 E 3.8702 8.1964 121.5698 58.9004 29.6096 178.8334 27 A 3.9161 8.3312 121.2731 55.0047 18.4604 179.4071 28 L 3.9454 8.0251 119.0495 58.1026 42.2517 179.2949 29 G 3.5842 8.1726 105.7581 48.1021 0.0000 175.9122 30 R 3.9097 8.2861 121.2672 58.4358 29.9945 178.8576 31 L 4.0110 8.1399 120.5291 58.3782 41.9837 179.2182 32 L 4.0852 7.8435 120.0072 56.7808 41.2228 179.6570 33 V 3.5864 7.2549 117.5063 65.7144 31.7206 177.9937 34 V 3.5663 7.8787 117.0488 64.2643 32.6717 175.5160 35 Y 3.8343 7.2533 116.5146 54.1497 37.9188 174.1044 36 P 4.6514 0.0000 0.0000 63.9661 31.8822 177.5573 37 W 4.3805 8.0432 115.4740 59.1250 27.7827 177.7691 38 T 4.2612 7.7587 110.5183 63.8650 68.2721 176.0386 39 Q 4.1584 8.2625 121.5524 57.9651 28.4621 177.9804 40 R 3.7325 7.5352 116.8470 59.0150 29.1624 177.9376 41 F 4.1818 6.8941 115.5628 57.6096 39.3161 176.1969 42 F 4.4115 7.4104 117.7493 56.7589 39.5116 177.4026 43 E 4.0255 8.1497 122.0221 59.0503 29.3691 178.3406 44 S 4.5245 8.0084 112.0417 59.3875 63.4720 174.5995 45 F 4.6463 8.5112 119.7994 58.4498 39.8711 176.4283 46 G 3.9528 7.5849 105.5115 44.0448 0.0000 174.0021 47 D 4.4542 8.6116 124.7333 54.6580 41.1188 175.9602 48 L 4.8991 8.3203 126.6509 54.3831 42.9769 178.0874 49 S 4.2697 8.3476 117.0725 61.1042 63.1425 174.4640 50 T 4.7183 7.4014 109.5098 58.2259 73.0258 172.7534 51 P 4.1999 0.0000 0.0000 65.9310 31.3101 178.6854 52 D 4.3333 8.0778 116.8393 57.3373 40.5602 178.5845 53 A 4.0048 7.7797 120.2588 54.9735 18.6706 179.6733 54 V 3.6774 8.2200 117.1286 66.6190 31.5108 178.3381 55 M 4.2055 8.3231 117.3855 57.6868 31.8447 178.0578 56 G 3.9810 7.7978 103.3763 43.6639 0.0000 173.2644 57 N 4.4900 7.5125 121.5089 52.5099 39.4600 173.9989 58 P 4.2950 0.0000 0.0000 65.6633 31.2990 178.7135 59 K 3.6425 8.4003 118.9661 58.8440 31.8003 179.3670 60 V 3.6654 7.8080 118.0430 66.0706 31.6106 177.9606 61 K 3.8952 8.0493 117.8928 59.5564 31.9716 179.2207 62 A 3.9974 8.0626 120.9389 55.3051 18.1837 179.2268 63 H 4.3336 8.5720 117.2460 59.2936 29.9035 177.6447 64 G 3.6645 8.5407 108.0586 47.8359 0.0000 175.7582 65 K 4.0092 8.1533 120.7988 58.9580 32.1427 179.3992 66 K 3.9468 7.9200 119.3835 59.4594 32.2201 179.0141 67 V 3.6197 8.0283 118.7859 66.2595 31.4873 178.1042 68 L 4.3768 8.4630 118.9317 57.4129 41.4268 179.7401 69 G 3.7073 8.5548 106.2164 47.6736 0.0000 175.7151 70 A 4.1245 8.1701 123.0387 54.8071 18.2182 179.3386 71 F 4.0826 8.2782 118.1663 61.6006 39.6937 176.7905 72 S 4.2248 8.6837 112.7638 61.8426 62.3739 176.0132 73 D 4.4968 8.4434 121.4655 57.2481 40.4244 179.0120 74 G 3.5759 8.0274 106.2706 47.5178 0.0000 175.6385 75 L 3.6799 7.1291 119.5967 56.8692 41.5810 178.4562 76 A 4.2138 7.4511 118.5631 52.8403 19.2364 176.8170 77 H 4.8996 7.9975 115.6449 54.6974 29.8426 175.8621 78 L 3.9022 8.1262 120.9240 58.0078 41.7605 179.0119 79 D 4.4503 7.9396 116.9916 56.4089 41.7952 175.7958 80 N 5.0403 8.2474 117.5249 51.6528 39.1231 175.1339 81 L 4.0738 7.8084 122.0263 57.8664 42.0724 179.4359 82 K 4.0822 8.0242 117.2446 59.4903 31.8411 179.1420 83 G 3.6976 7.9072 105.4262 48.1176 0.0000 175.8915 84 T 3.6938 7.6116 117.1731 65.4924 68.5872 175.7761 85 F 4.7061 8.0515 117.0609 56.9570 39.3242 177.3044 86 A 4.0671 7.5930 122.1818 55.8911 18.1141 180.4653 87 T 3.8663 7.8624 113.4746 66.8042 68.4933 176.8626 88 L 4.0866 7.9672 120.4892 57.5583 41.6783 179.3018 89 S 4.3865 8.3857 114.9774 61.0292 62.4248 175.9759 90 E 3.8796 8.2739 121.2111 59.2940 29.2030 179.1396 91 L 3.8960 8.2200 120.4614 58.6871 42.1581 178.8615 92 H 4.1831 8.6054 116.2605 58.8544 28.5379 177.1853 93 C 3.5688 7.7314 120.7359 62.2420 31.1669 175.3787 94 D 4.3138 8.3661 120.3759 56.4946 40.5634 177.4732 95 K 4.3187 7.8753 117.0141 57.2445 33.7572 177.3843 96 L 4.1783 7.6974 116.5160 54.7993 42.4905 175.9431 97 H 4.1451 7.0950 114.0248 56.6857 26.4782 175.1931 98 V 4.1316 8.1311 118.8214 60.9713 32.6387 174.7966 99 D 4.3954 8.8208 127.2466 53.7988 41.7642 175.1245 100 P 3.3290 0.0000 0.0000 64.3644 31.8380 177.9178 101 E 3.8777 8.2500 119.3834 59.2557 29.2593 178.3279 102 N 4.2739 7.9295 116.5786 56.2922 38.5086 177.2923 103 F 4.4573 7.1939 118.8992 60.6155 38.9752 177.9772 104 R 3.9839 7.9225 117.3090 59.1233 29.9179 178.8695 105 L 3.8044 7.8681 118.8092 57.6352 41.5867 179.3046 106 L 4.0565 8.2351 120.5584 58.0905 42.0282 179.1560 107 G 3.7137 8.2590 105.6544 48.0865 0.0000 175.4408 108 N 4.4742 8.3151 118.9810 55.9384 38.4592 177.7830 109 V 3.6490 8.1306 119.9730 65.6945 31.5052 177.8183 110 L 3.8548 8.3934 120.6392 58.1143 41.8973 179.1061 111 V 3.5402 7.8273 118.1095 66.2828 31.4306 177.7173 112 C 4.0772 8.0714 116.4305 62.7819 27.9312 176.3257 113 V 3.5073 7.9631 120.1182 65.8973 31.1002 178.0299 114 L 3.8413 7.9067 118.7368 57.6544 41.3877 179.3353 115 A 3.6654 7.3495 120.6024 55.3376 18.0687 179.2273 116 H 4.1472 7.9641 115.7349 59.6540 30.0005 176.9854 117 H 3.8841 8.4113 117.5769 58.1677 28.9574 176.9761 118 F 4.6462 8.6790 118.1555 56.3733 39.8519 177.3110 119 G 3.8432 8.7996 108.6765 45.9790 0.0000 177.3721 120 K 4.0229 8.9251 122.1161 59.4943 32.3376 178.0922 121 E 4.1274 8.0900 118.0966 58.5731 29.8538 177.4763 122 F 4.5562 8.1793 123.8474 56.9435 37.8405 175.1389 123 T 4.1718 7.3290 115.8516 60.2436 71.3154 173.4797 124 P 4.1646 0.0000 0.0000 65.4971 31.2765 177.2110 125 P 4.1999 0.0000 0.0000 65.3771 31.2469 178.8639 126 V 3.4982 7.4208 116.9840 65.8627 31.4418 177.6282 127 Q 3.5481 7.7453 119.4118 59.1509 28.9123 178.1641 128 A 3.9949 8.0290 121.3393 55.2598 18.3969 179.4661 129 A 3.8750 7.9532 118.9698 55.7064 18.4406 179.6005 130 Y 3.8586 8.3340 115.2342 61.0405 37.8148 178.6989 131 Q 4.1292 8.8000 119.7221 58.9056 28.7251 178.9564 132 K 3.9495 8.0188 119.2800 59.3561 32.0376 179.5589 133 V 3.4953 7.6888 118.5833 66.0254 31.5015 178.4980 134 V 3.8243 8.3200 119.1132 64.8591 31.1844 178.1835 135 A 4.1439 8.4821 121.8114 54.6521 18.1699 179.8462 136 G 3.5066 8.3087 104.6738 47.9568 0.0000 176.1392 137 V 3.3244 8.1393 121.1917 65.4405 31.4399 177.9267 138 A 3.9238 7.9674 120.5154 55.3081 18.0905 179.4205 139 N 4.3135 8.3731 114.8208 56.3469 38.3754 177.5957 140 A 4.0282 7.8947 121.3822 55.1592 18.7151 179.4691 141 L 3.9728 8.1654 117.2466 56.8498 41.7046 178.5190 142 A 4.5423 7.6806 119.1856 52.7469 19.0088 178.2074 143 H 4.1979 7.8491 116.9802 58.7803 29.9218 175.7245 144 K 4.4336 8.0309 116.8121 56.2134 32.2118 176.3950 145 Y 4.2002 7.9819 117.5587 58.6203 38.3945 175.8326 146 H 4.4230 8.4678 117.2429 56.3105 28.0834 173.4699 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 3.92 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 0.86 0.00 0.00 2 H 8.57 4.41 0.00 3.16 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.69 4.71 0.00 1.51 1.41 0.79 0.85 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 4 T 8.05 4.11 4.33 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 1.19 0.00 0.00 5 P 0.00 4.17 0.00 2.15 2.13 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 6 E 8.02 3.96 0.00 2.02 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 2.38 2.44 0.00 7 E 8.30 3.90 0.00 2.14 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 2.28 2.31 0.00 8 K 8.14 3.82 0.00 1.85 1.79 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.58 7.81 9 S 8.12 4.12 0.00 4.06 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 10 A 7.96 3.97 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 11 V 7.81 3.43 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 0.62 0.00 0.00 0.38 0.00 0.00 12 T 8.28 3.97 4.26 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 1.25 0.00 0.00 13 A 7.94 4.01 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 14 L 7.92 3.86 0.00 2.06 1.86 0.70 -0.68 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 15 W 8.67 4.40 0.00 3.82 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 16 G 8.11 3.77 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 0.00 0.00 0.00 17 K 7.75 4.38 0.00 2.03 2.07 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.61 7.81 18 V 6.98 3.70 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 0.01 0.00 0.00 0.68 0.00 0.00 19 N 8.22 4.55 0.00 2.72 2.62 0.00 0.00 6.81 7.71 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 20 V 8.09 3.48 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.92 0.00 0.00 21 D 8.08 4.33 0.00 2.92 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 22 E 8.33 3.82 0.00 2.01 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 2.28 2.28 0.00 23 V 8.05 3.56 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 0.84 0.00 0.00 0.67 0.00 0.00 24 G 8.32 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 25 G 8.02 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 26 E 8.20 3.87 0.00 2.26 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 2.28 2.46 0.00 27 A 8.33 3.92 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 28 L 8.03 3.95 0.00 1.76 1.63 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.17 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 30 R 8.29 3.91 0.00 1.88 1.93 0.00 3.08 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 31 L 8.14 4.01 0.00 1.84 1.86 0.98 0.91 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 32 L 7.84 4.09 0.00 1.91 1.68 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.25 3.59 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 0.71 0.00 0.00 0.93 0.00 0.00 34 V 7.88 3.57 1.59 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 -0.05 0.00 0.00 0.77 0.00 0.00 35 Y 7.25 3.83 0.00 2.66 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 36 P 0.00 4.65 0.00 2.16 2.11 0.00 4.11 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 2.23 1.89 0.00 37 W 8.04 4.38 0.00 3.52 3.43 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 38 T 7.76 4.26 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 1.01 0.00 0.00 39 Q 8.26 4.16 0.00 2.26 2.26 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 40 R 7.54 3.73 0.00 1.67 1.98 0.00 2.97 0.00 0.00 2.59 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 6.89 4.18 0.00 1.51 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.41 4.41 0.00 2.99 2.28 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 43 E 8.15 4.03 0.00 2.16 2.22 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 2.31 2.30 0.00 44 S 8.01 4.52 0.00 4.14 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 45 F 8.51 4.65 0.00 3.15 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.58 3.95 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 0.00 0.00 0.00 47 D 8.61 4.45 0.00 2.66 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 48 L 8.32 4.90 0.00 1.66 1.63 1.01 1.04 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 49 S 8.35 4.27 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.40 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.11 0.00 3.59 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 2.09 2.15 0.00 52 D 8.08 4.33 0.00 2.67 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 53 A 7.78 4.00 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 54 V 8.22 3.68 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 55 M 8.32 4.21 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.89 0.00 56 G 7.80 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 0.00 0.00 0.00 57 N 7.51 4.49 0.00 2.98 2.82 0.00 0.00 6.86 8.28 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 58 P 0.00 4.29 0.00 2.24 2.26 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 59 K 8.40 3.64 0.00 1.74 0.74 0.00 1.44 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.99 1.17 7.81 60 V 7.81 3.67 2.25 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 1.07 0.00 0.00 1.07 0.00 0.00 61 K 8.05 3.90 0.00 1.95 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.63 7.81 62 A 8.06 4.00 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 63 H 8.57 4.33 0.00 3.55 3.47 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 64 G 8.54 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 65 K 8.15 4.01 0.00 1.99 2.00 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.79 7.81 66 K 7.92 3.95 0.00 2.00 2.02 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.51 7.81 67 V 8.03 3.62 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 1.02 0.00 0.00 0.90 0.00 0.00 68 L 8.46 4.38 0.00 2.00 1.85 1.27 0.79 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 69 G 8.55 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 0.00 0.00 0.00 70 A 8.17 4.12 1.57 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 0.00 0.00 71 F 8.28 4.08 0.00 3.11 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 72 S 8.68 4.22 0.00 4.63 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 0.00 73 D 8.44 4.50 0.00 2.86 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 74 G 8.03 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 L 7.13 3.68 0.00 1.49 1.47 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.45 4.21 1.10 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 77 H 8.00 4.90 0.00 3.09 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.13 3.90 0.00 1.50 1.65 0.71 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.94 4.45 0.00 2.64 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 80 N 8.25 5.04 0.00 2.68 2.60 0.00 0.00 7.04 6.46 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 81 L 7.81 4.07 0.00 1.76 1.86 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.02 4.08 0.00 1.67 1.81 0.00 1.58 0.00 0.00 1.13 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.45 7.81 83 G 7.91 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 0.00 0.00 0.00 84 T 7.61 3.69 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 0.41 0.00 0.00 85 F 8.05 4.71 0.00 3.18 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 86 A 7.59 4.07 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 87 T 7.86 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 88 L 7.97 4.09 0.00 2.02 1.86 1.16 0.95 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 89 S 8.39 4.39 0.00 4.16 4.13 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 90 E 8.27 3.88 0.00 2.22 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 2.32 2.58 0.00 91 L 8.22 3.90 0.00 1.80 1.86 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.61 4.18 0.00 3.51 3.78 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.73 3.57 0.00 1.23 2.48 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 0.00 94 D 8.37 4.31 0.00 2.70 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 95 K 7.88 4.32 0.00 1.79 1.79 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.50 7.81 96 L 7.70 4.18 0.00 1.69 1.63 0.71 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.09 4.15 0.00 3.57 3.45 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.13 4.13 2.14 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 0.25 0.00 0.00 0.43 0.00 0.00 99 D 8.82 4.40 0.00 2.78 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 0.00 100 P 0.00 3.33 0.00 1.94 1.83 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.44 0.00 101 E 8.25 3.88 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 102 N 7.93 4.27 0.00 2.50 2.73 0.00 0.00 6.94 7.87 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 0.00 103 F 7.19 4.46 0.00 3.14 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 0.00 104 R 7.92 3.98 0.00 1.99 1.97 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.87 3.80 0.00 1.69 1.32 0.67 -0.38 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 0.00 106 L 8.24 4.06 0.00 1.80 1.87 0.92 1.20 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 0.00 107 G 8.26 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 0.00 0.00 0.00 108 N 8.32 4.47 0.00 2.81 2.95 0.00 0.00 6.68 7.14 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 0.00 109 V 8.13 3.65 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 1.12 0.00 0.00 1.15 0.00 0.00 110 L 8.39 3.85 0.00 1.70 1.76 0.87 0.35 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 0.00 111 V 7.83 3.54 2.32 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 1.29 0.00 0.00 1.17 0.00 0.00 112 C 8.07 4.08 0.00 3.17 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 0.00 113 V 7.96 3.51 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 0.88 0.00 0.00 0.88 0.00 0.00 114 L 7.91 3.84 0.00 1.01 1.16 0.63 1.20 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 0.00 115 A 7.35 3.67 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 0.00 116 H 7.96 4.15 0.00 3.17 3.45 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.41 3.88 0.00 2.85 2.37 0.00 5.89 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 0.00 118 F 8.68 4.65 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.80 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 0.00 120 K 8.93 4.02 0.00 1.92 2.02 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 121 E 8.09 4.13 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 122 F 8.18 4.56 0.00 3.02 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 0.00 123 T 7.33 4.17 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 1.28 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.14 0.00 3.57 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 2.11 2.19 0.00 125 P 0.00 4.20 0.00 2.11 2.06 0.00 3.47 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.42 3.50 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 0.99 0.00 0.00 0.89 0.00 0.00 127 Q 7.75 3.55 0.00 1.72 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 128 A 8.03 3.99 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 0.00 129 A 7.95 3.88 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 0.00 130 Y 8.33 3.86 0.00 3.36 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 0.00 131 Q 8.80 4.13 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 132 K 8.02 3.95 0.00 1.98 1.83 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.60 7.81 133 V 7.69 3.50 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 0.92 0.00 0.00 0.73 0.00 0.00 134 V 8.32 3.82 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.16 0.00 0.00 135 A 8.48 4.14 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 0.00 136 G 8.31 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.14 3.32 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 0.66 0.00 0.00 0.71 0.00 0.00 138 A 7.97 3.92 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 0.00 139 N 8.37 4.31 0.00 2.98 2.88 0.00 0.00 6.93 7.09 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 0.00 140 A 7.89 4.03 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 0.00 141 L 8.17 3.97 0.00 0.95 0.79 -0.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.68 4.54 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 0.00 143 H 7.85 4.20 0.00 3.34 3.54 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.03 4.43 0.00 1.84 1.82 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.73 7.81 145 Y 7.98 4.20 0.00 3.13 2.98 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 0.00 146 H 8.47 4.42 0.00 3.23 3.22 0.00 5.75 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