NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3877 8.1633 120.3490 55.6464 33.9867 174.7523 2 N 4.5796 8.0438 119.8507 50.8802 37.0435 173.2729 3 R 5.6681 8.5753 135.0000 56.2656 31.9517 177.1544 4 G 3.8954 7.1466 109.6301 48.7605 0.0000 175.9711 5 A 4.0360 7.9010 122.2941 55.1412 18.5845 178.9401 6 L 3.9347 7.9551 116.8575 58.5749 42.1174 178.8706 7 I 3.8229 8.0432 119.6391 64.3452 37.1367 178.0648 8 K 3.8244 7.6438 118.9555 59.9449 31.9040 179.2276 9 L 4.0288 8.3569 118.8865 57.6521 41.1935 179.9061 10 V 3.6129 7.6554 117.9264 65.8349 31.5661 177.0591 11 E 4.0007 7.9591 117.2270 58.8417 29.5071 177.1974 12 S 4.2135 7.3835 115.7802 57.8426 62.6703 174.4510 13 R 4.5285 8.3172 118.4853 57.1069 32.6943 175.0122 14 Y 4.2835 8.2182 115.6294 58.7283 38.1271 175.8032 15 V 3.9707 7.4917 114.3279 61.1664 32.3061 176.3322 16 R 4.5650 8.5973 123.2584 55.7522 31.6729 175.6287 17 T 4.7138 8.1432 108.8169 63.0011 71.4892 174.4177 18 D 4.4967 8.4734 120.2542 56.1822 39.3931 176.8787 19 L 3.7778 7.2385 118.5600 54.2858 42.0472 175.7394 20 P 4.6516 0.0000 0.0000 61.3036 32.5087 175.8479 21 E 4.1843 8.5650 119.6403 56.6428 29.8817 177.2484 22 F 4.4797 8.1229 111.9893 56.5301 39.1913 173.4097 23 R 4.3602 8.3924 122.4959 52.7682 31.6618 174.1871 24 P 4.2979 0.0000 0.0000 64.5991 31.8717 175.6122 25 G 3.6569 9.2420 105.8923 45.3742 0.0000 173.2009 26 D 4.4452 7.2228 113.1023 52.6336 42.2821 177.0970 27 T 4.7071 7.8424 118.2090 62.3068 69.0551 173.0974 28 V 4.4699 8.0691 122.3546 61.0743 35.2259 171.3642 29 R 5.7267 8.3617 118.0331 53.6089 32.4293 174.5329 30 V 4.4111 8.4593 115.5083 59.8661 34.8301 174.9431 31 S 5.1050 8.3977 120.1205 57.5167 64.3863 172.4076 32 Y 4.9516 9.0585 127.5592 55.3691 40.6667 175.0218 33 K 4.3670 8.0574 126.9862 56.6324 32.7752 176.7167 34 V 4.6235 8.3871 123.4238 61.0902 35.6882 174.4071 35 K 5.0760 8.6027 125.5196 54.6505 32.4675 174.6098 36 E 4.0281 8.6687 127.8019 56.2458 29.4503 175.9243 37 G 3.9788 8.7977 118.1675 45.5319 0.0000 172.6941 38 N 4.8322 8.5725 115.2084 53.3269 41.0632 176.6855 39 R 4.2048 7.6175 114.5700 55.8740 30.5385 174.7236 40 T 5.5424 8.0045 114.2739 62.1265 71.6084 174.4063 41 R 4.4430 8.3871 127.8831 55.6089 31.9787 176.6329 42 I 4.8478 7.9014 109.7883 59.8838 36.6665 175.2179 43 Q 3.9571 8.3320 122.5103 58.0707 29.9916 176.1648 44 D 5.3016 8.7775 125.3417 53.4117 43.2847 176.3713 45 F 4.7116 9.2057 123.3190 56.8209 41.8907 172.1551 46 E 4.8536 8.1929 126.9148 54.7851 31.0435 175.0139 47 G 3.8888 8.3325 112.6719 46.0358 0.0000 171.6467 48 I 4.7089 8.1138 121.2950 60.2099 38.7698 176.4301 49 V 4.4419 8.1210 126.5003 61.9211 31.5669 176.8453 50 I 3.7781 9.4333 128.9855 63.9025 38.5827 176.5216 51 R 4.4417 7.5821 118.3646 55.4858 33.3322 173.2899 52 I 4.7345 8.5227 127.4343 59.8715 39.3555 175.7101 53 R 4.4826 9.1151 128.7546 54.4712 30.3142 174.3035 54 R 4.7742 8.2200 123.0519 54.6560 31.1134 176.8723 55 N 4.7305 8.6674 120.0404 52.6176 40.4208 175.3802 56 G 3.6634 8.0252 112.0241 46.1709 0.0000 174.0789 57 F 4.3123 8.9143 127.5923 58.3137 39.6414 173.8816 58 N 3.5479 6.5323 115.9094 53.2253 36.3215 173.9502 59 T 4.2300 7.6239 113.3815 63.0501 68.6374 173.3487 60 T 5.3295 8.5489 117.7008 60.1516 72.5232 172.5998 61 F 5.5731 8.5733 115.9561 55.7535 41.9045 173.2987 62 T 4.8983 8.8818 110.1968 59.9928 71.7330 172.8536 63 V 5.1023 8.6756 124.7335 61.2381 34.8316 174.1321 64 R 5.3052 9.1956 126.0488 54.6572 33.5252 174.2477 65 K 4.7694 9.1651 124.2581 56.0007 36.7230 175.3399 66 V 5.0408 7.8611 117.6542 60.0219 31.1124 172.9547 67 S 4.2103 8.3948 116.4911 58.4186 63.4450 173.6709 68 Y 3.3393 9.2491 127.2779 59.0920 34.6313 171.5458 69 G 4.0612 8.0210 109.1032 45.6517 0.0000 172.6593 70 V 4.1905 7.8267 120.2089 61.3826 33.1925 175.6273 71 G 4.0925 8.6592 115.2026 46.0578 0.0000 172.9610 72 V 4.7314 9.5695 124.7486 60.9678 35.1429 173.9566 73 E 5.4023 8.8964 125.6166 54.7487 32.7589 175.2162 74 R 4.4149 8.9055 121.5366 54.2308 34.4968 174.4219 75 I 4.5387 7.1802 119.7770 59.4327 40.9680 175.0163 76 F 4.8678 8.0888 123.5875 54.7634 43.1755 172.4891 77 P 4.4504 0.0000 0.0000 62.4813 31.6056 177.1283 78 L 4.4984 8.7978 128.0934 57.6443 42.1350 177.0170 79 H 5.0661 7.7695 113.9286 55.7072 29.9716 173.2610 80 S 4.3185 8.7543 115.8736 57.9708 62.6457 173.9498 81 P 4.8026 0.0000 0.0000 62.1664 30.6495 177.3001 82 L 4.3175 7.5759 113.8211 55.3837 46.1625 176.4044 83 I 4.0543 7.3552 121.8900 59.5474 36.7623 175.5232 84 Q 4.0322 8.6786 127.4656 58.5094 29.0590 176.4414 85 K 4.6681 7.5556 115.1240 54.9938 37.2974 174.8063 86 I 4.1914 7.9696 119.7772 61.0138 39.2478 172.4222 87 D 4.8927 8.4990 129.7516 52.5160 42.5319 176.2242 88 I 4.3169 8.2674 117.1828 61.0066 38.4826 176.0391 89 V 4.4419 8.8488 115.8748 60.1639 32.0308 175.3713 90 Q 5.0418 7.1033 126.7201 56.1504 31.8621 172.1312 91 R 4.9113 7.9349 122.1354 54.5224 34.3947 174.4446 92 G 4.4615 8.4718 108.7342 44.1149 0.0000 172.3527 93 R 4.0007 8.6195 120.9840 56.2464 30.1189 176.2474 94 A 4.0457 8.5517 129.3530 54.3164 18.9685 178.9378 95 R 3.9903 8.6932 112.2645 56.5909 29.3115 175.3460 96 R 4.4813 7.5179 114.5324 56.2643 32.9203 172.7449 97 A 4.2097 7.8211 123.5475 53.4240 19.4994 177.4792 98 K 4.0436 8.0613 114.8878 55.2202 33.8570 178.0431 99 L 5.1173 7.9835 124.7336 54.6668 40.2712 177.3277 100 Y 4.2358 7.7769 116.3916 60.3814 38.5060 177.7397 101 F 4.4325 8.3948 116.3287 59.5565 37.7410 177.1613 102 I 3.3534 6.3301 113.1205 63.8166 37.4951 177.5789 103 R 3.9549 7.8751 119.9655 59.7928 29.6540 177.7403 104 N 4.6819 7.8157 112.1588 53.7208 38.4512 176.1355 105 L 4.5021 7.3551 115.9041 54.4805 44.3340 172.0951 106 S 4.8118 8.6833 115.9551 54.6308 65.8719 175.5113 107 D 4.5469 8.2857 121.2626 52.9979 42.0335 177.5540 108 R 3.9136 8.2615 115.4610 59.9793 28.2846 179.0358 109 E 4.0392 8.0787 117.3122 59.2708 29.2983 178.8956 110 I 3.9772 7.7006 117.6487 64.5743 38.2519 177.1854 111 R 4.0627 7.6974 119.9385 58.1508 30.7997 177.3288 112 R 4.3510 7.7920 117.7683 55.0682 27.6965 176.5467 113 K 4.5251 7.3413 115.5092 57.8591 37.9629 175.2487 114 L 4.9383 8.4090 118.3213 53.1447 42.2789 175.5465 115 R 3.7904 7.6803 116.2354 56.5506 29.9937 177.4999 116 A 4.3703 7.4768 114.2636 51.0418 23.0878 177.2456 117 D 4.6791 8.4079 126.8894 52.9128 40.0883 177.5191 118 R 3.7154 7.8508 119.2183 59.7961 30.7265 177.7195 119 K 4.0203 8.1275 119.8025 59.0551 32.1978 178.4604 120 R 3.9293 8.5715 117.4058 59.4534 30.3413 179.0278 121 I 3.9046 8.3061 121.3902 64.0785 37.1395 178.1882 122 D 4.4267 8.0039 118.9555 57.1060 40.4558 178.9877 123 K 4.0514 7.9334 118.8085 59.9669 32.1046 177.8034 124 D 4.3976 8.8818 118.8258 57.1143 40.4235 178.7488 125 R 4.1612 8.0897 118.7459 60.6180 30.8214 178.0614 126 A 3.9939 8.2381 119.8418 55.3297 18.0563 178.5866 127 A 4.1471 8.1643 118.5835 53.9440 18.7347 178.8461 128 E 4.0771 8.2881 119.1670 58.9832 29.6891 178.7834 129 R 3.9550 8.6753 118.2135 58.7356 29.8759 179.0040 130 A 3.9456 8.4597 121.2434 55.2660 18.2801 179.5779 131 A 4.0860 7.5762 117.6492 54.7059 18.6946 179.6032 132 K 4.1014 7.7441 117.7577 59.3733 32.0773 179.0629 133 E 4.0748 8.3073 119.1091 59.3443 29.1272 178.3058 134 E 4.4593 7.4938 114.4880 56.4274 29.6606 177.1998 135 V 4.3951 7.3204 117.2733 62.7889 33.6715 176.8959 136 Q 4.1051 8.8778 118.6590 58.4700 28.7922 176.2289 137 K 4.1899 8.1915 120.6793 56.4478 32.4043 176.0718 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 M 8.16 4.39 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 2 N 8.04 4.58 0.00 2.83 2.81 0.00 0.00 6.80 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.58 5.67 0.00 2.10 2.20 0.00 3.01 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.35 0.00 4 G 7.15 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 5 A 7.90 4.04 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 6 L 7.96 3.93 0.00 1.63 1.89 0.92 1.01 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 7 I 8.04 3.82 2.08 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 1.73 0.68 0.91 0.00 0.00 8 K 7.64 3.82 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.52 7.81 9 L 8.36 4.03 0.00 1.82 1.73 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.66 3.61 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 0.83 0.00 0.00 0.98 0.00 0.00 11 E 7.96 4.00 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 12 S 7.38 4.21 0.00 3.86 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 13 R 8.32 4.53 0.00 1.80 1.94 0.00 2.92 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.00 14 Y 8.22 4.28 0.00 2.80 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 15 V 7.49 3.97 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 0.65 0.00 0.00 0.96 0.00 0.00 16 R 8.60 4.57 0.00 1.95 2.10 0.00 3.39 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 17 T 8.14 4.71 4.28 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 1.23 0.00 0.00 18 D 8.47 4.50 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.24 3.78 0.00 1.58 1.59 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.65 0.00 1.99 1.95 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 21 E 8.57 4.18 0.00 2.00 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 2.34 2.33 0.00 22 F 8.12 4.48 0.00 3.05 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.39 4.36 0.00 1.82 1.81 0.00 3.02 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 24 P 0.00 4.30 0.00 2.24 2.06 0.00 3.69 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 1.95 1.92 0.00 25 G 9.24 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 26 D 7.22 4.45 0.00 2.95 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 27 T 7.84 4.71 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 28 V 8.07 4.47 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 0.85 0.00 0.00 0.88 0.00 0.00 29 R 8.36 5.73 0.00 1.94 2.00 0.00 3.02 0.00 0.00 3.42 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 30 V 8.46 4.41 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 0.65 0.00 0.00 0.42 0.00 0.00 31 S 8.40 5.11 0.00 3.75 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 9.06 4.95 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.06 4.37 0.00 1.55 1.68 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.24 7.81 34 V 8.39 4.62 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 1.17 0.00 0.00 1.16 0.00 0.00 35 K 8.60 5.08 0.00 1.80 1.85 0.00 1.25 0.00 0.00 2.31 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.28 7.81 36 E 8.67 4.03 0.00 1.95 1.95 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 2.30 2.37 0.00 37 G 8.80 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 38 N 8.57 4.83 0.00 2.79 2.88 0.00 0.00 5.99 7.66 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 39 R 7.62 4.20 0.00 2.02 2.16 0.00 2.93 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 40 T 8.00 5.54 4.24 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 1.24 0.00 0.00 41 R 8.39 4.44 0.00 1.73 1.95 0.00 3.40 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 42 I 7.90 4.85 1.88 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 1.22 1.16 0.90 0.00 0.00 43 Q 8.33 3.96 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.94 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 44 D 8.78 5.30 0.00 2.65 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 45 F 9.21 4.71 0.00 3.13 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 46 E 8.19 4.85 0.00 1.95 1.72 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 2.15 2.25 0.00 47 G 8.33 3.89 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 0.00 0.00 0.00 48 I 8.11 4.71 1.84 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 1.25 0.42 0.89 0.00 0.00 49 V 8.12 4.44 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.11 0.00 0.00 50 I 9.43 3.78 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.37 0.66 0.00 0.00 51 R 7.58 4.44 0.00 1.34 1.45 0.00 3.31 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 52 I 8.52 4.73 1.76 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.87 0.00 0.00 53 R 9.12 4.48 0.00 1.85 1.95 0.00 3.11 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 54 R 8.22 4.77 0.00 1.74 1.85 0.00 3.34 0.00 0.00 3.78 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 55 N 8.67 4.73 0.00 2.63 2.72 0.00 0.00 7.06 7.98 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 56 G 8.03 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 57 F 8.91 4.31 0.00 3.02 3.02 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 58 N 6.53 3.55 0.00 2.77 2.44 0.00 0.00 5.96 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 59 T 7.62 4.23 4.42 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 1.34 0.00 0.00 60 T 8.55 5.33 4.22 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 1.24 0.00 0.00 61 F 8.57 5.57 0.00 3.19 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 62 T 8.88 4.90 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 1.21 0.00 0.00 63 V 8.68 5.10 2.65 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 1.09 0.00 0.00 1.42 0.00 0.00 64 R 9.20 5.31 0.00 1.84 1.69 0.00 3.25 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 65 K 9.17 4.77 0.00 1.59 1.58 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.08 1.30 7.81 66 V 7.86 5.04 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 1.19 0.00 0.00 0.91 0.00 0.00 67 S 8.39 4.21 0.00 4.04 3.93 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 68 Y 9.25 3.34 0.00 3.16 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 69 G 8.02 4.06 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 0.00 70 V 7.83 4.19 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 0.95 0.00 0.00 0.96 0.00 0.00 71 G 8.66 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 0.00 0.00 0.00 0.00 72 V 9.57 4.73 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 1.14 0.00 0.00 1.07 0.00 0.00 73 E 8.90 5.40 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 74 R 8.91 4.41 0.00 1.04 0.66 0.00 2.21 0.00 0.00 2.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.82 0.00 75 I 7.18 4.54 1.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.27 0.71 0.00 0.00 76 F 8.09 4.87 0.00 2.49 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.45 0.00 2.13 1.98 0.00 3.84 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 2.20 2.11 0.00 78 L 8.80 4.50 0.00 1.95 1.67 0.77 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.77 5.07 0.00 3.10 3.51 0.00 5.95 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.75 4.32 0.00 4.01 3.89 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 81 P 0.00 4.80 0.00 2.12 2.10 0.00 3.82 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 82 L 7.58 4.32 0.00 1.38 0.61 0.93 0.63 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 83 I 7.36 4.05 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.91 0.00 0.00 84 Q 8.68 4.03 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 85 K 7.56 4.67 0.00 1.73 1.62 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.36 7.81 86 I 7.97 4.19 1.70 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.18 0.72 0.00 0.00 87 D 8.50 4.89 0.00 2.65 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 88 I 8.27 4.32 1.88 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 1.35 0.39 0.91 0.00 0.00 89 V 8.85 4.44 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 0.70 0.00 0.00 0.93 0.00 0.00 90 Q 7.10 5.04 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 91 R 7.93 4.91 0.00 1.76 1.76 0.00 3.28 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 92 G 8.47 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.62 4.00 0.00 1.78 1.90 0.00 3.29 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 94 A 8.55 4.05 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 95 R 8.69 3.99 0.00 1.95 2.08 0.00 3.32 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 96 R 7.52 4.48 0.00 1.74 1.84 0.00 3.36 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 97 A 7.82 4.21 1.23 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 98 K 8.06 4.04 0.00 1.86 1.94 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.68 1.37 7.81 99 L 7.98 5.12 0.00 1.84 1.99 0.79 0.81 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 0.00 100 Y 7.78 4.24 0.00 3.07 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 0.00 101 F 8.39 4.43 0.00 3.27 3.39 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 0.00 102 I 6.33 3.35 1.55 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 1.30 0.28 0.18 0.00 0.00 103 R 7.88 3.95 0.00 2.02 2.01 0.00 3.28 0.00 0.00 3.21 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 104 N 7.82 4.68 0.00 2.90 2.89 0.00 0.00 6.96 7.73 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 0.00 105 L 7.36 4.50 0.00 1.62 1.57 0.95 0.86 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 0.00 106 S 8.68 4.81 0.00 3.97 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 0.00 107 D 8.29 4.55 0.00 2.95 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 0.00 108 R 8.26 3.91 0.00 1.89 2.00 0.00 3.18 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 109 E 8.08 4.04 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 2.34 2.48 0.00 110 I 7.70 3.98 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.93 0.00 0.00 111 R 7.70 4.06 0.00 1.96 1.85 0.00 3.34 0.00 0.00 3.21 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 112 R 7.79 4.35 0.00 1.94 2.00 0.00 3.30 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 113 K 7.34 4.53 0.00 1.99 1.91 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.68 7.81 114 L 8.41 4.94 0.00 1.57 1.55 0.92 1.03 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 0.00 115 R 7.68 3.79 0.00 1.92 1.89 0.00 3.25 0.00 0.00 3.25 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 116 A 7.48 4.37 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 0.00 117 D 8.41 4.68 0.00 2.73 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 0.00 118 R 7.85 3.72 0.00 1.82 2.02 0.00 3.27 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 119 K 8.13 4.02 0.00 1.82 1.97 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 120 R 8.57 3.93 0.00 1.94 1.98 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 121 I 8.31 3.90 1.87 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 1.54 1.37 0.91 0.00 0.00 122 D 8.00 4.43 0.00 2.81 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 0.00 123 K 7.93 4.05 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 124 D 8.88 4.40 0.00 2.93 2.56 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 0.00 125 R 8.09 4.16 0.00 1.83 2.00 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 126 A 8.24 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.16 4.15 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 0.00 128 E 8.29 4.08 0.00 2.39 1.95 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 2.30 2.34 0.00 129 R 8.68 3.95 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 130 A 8.46 3.95 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 0.00 131 A 7.58 4.09 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 0.00 132 K 7.74 4.10 0.00 1.88 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.61 7.81 133 E 8.31 4.07 0.00 2.25 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 2.45 2.51 0.00 134 E 7.49 4.46 0.00 1.98 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 2.53 2.45 0.00 135 V 7.32 4.40 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 0.84 0.00 0.00 0.99 0.00 0.00 136 Q 8.88 4.11 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 137 K 8.19 4.19 0.00 1.80 1.67 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81