NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6934 8.4249 118.1214 52.8508 40.0090 174.0132 3 T 3.5619 8.3563 118.9897 63.1705 68.8761 172.1907 4 K 4.4496 8.9859 126.8978 54.7796 34.6637 175.1561 5 Y 4.6125 8.9102 122.6594 56.5477 39.3266 175.7610 6 N 4.3991 8.8002 121.6937 53.8356 40.5907 175.6865 7 K 3.8328 8.7679 128.0071 59.8835 32.5359 178.8811 8 E 3.9483 8.2602 118.2582 59.0161 29.3055 178.9648 9 F 4.2055 8.5945 120.9036 61.4003 39.5408 177.2423 10 L 3.6625 7.9505 118.5854 57.4555 41.4711 179.4771 11 L 3.6190 7.5286 118.8736 57.8171 41.5194 178.7585 12 Y 3.9320 7.6872 118.8100 60.8401 38.6856 178.1429 13 L 3.9467 8.1958 121.1965 57.8780 42.0473 178.7028 14 A 4.1015 8.4798 121.5026 55.0023 18.4327 179.8033 15 G 3.4443 7.8493 103.8729 48.0043 0.0000 175.7606 16 F 3.7857 8.0928 123.6098 60.5872 39.3542 177.4802 17 V 3.6950 8.3543 118.5405 66.1725 31.2020 177.8166 18 D 4.4840 8.1412 117.6089 57.1861 40.6005 178.6436 19 G 3.5527 7.5820 105.5863 46.5180 0.0000 174.1990 20 D 4.5926 8.2735 119.5738 53.0301 41.7529 176.5851 21 G 4.3386 7.6586 107.5329 45.3278 0.0000 173.3868 22 S 4.6745 8.6879 113.5987 56.9268 66.2381 172.7727 23 I 4.8817 8.5488 127.9481 60.0313 38.5764 174.8205 24 I 4.5472 9.0316 129.1876 59.3028 39.4809 174.7070 25 A 5.2648 8.7037 128.6029 50.2380 21.2105 175.3126 26 Q 4.6636 9.2530 120.8258 54.0423 33.4169 174.5843 27 I 4.7458 8.3636 122.2975 59.7486 39.2799 174.4974 28 E 4.6888 9.3945 129.9598 53.6060 31.2604 173.2983 29 P 4.7116 0.0000 0.0000 62.9358 32.8071 175.5315 30 N 4.4235 8.7701 116.9940 53.2408 42.4195 174.7786 31 A 4.2809 9.1614 129.7785 53.6225 18.8131 177.4988 32 S 4.4523 8.5601 109.9290 58.3875 63.7950 173.8523 33 Y 4.4903 7.7563 119.6113 56.1235 39.6926 176.3120 34 K 3.5542 8.6998 123.2348 59.4855 32.1984 178.0893 35 F 4.9318 7.6744 115.1761 57.0273 39.3546 176.5499 36 K 4.2261 8.7271 118.1116 57.3700 30.0687 174.6271 37 H 5.5120 7.7450 113.1145 54.6173 33.2600 172.6407 38 R 4.7458 8.7755 116.1436 54.5653 33.2536 173.7235 39 L 5.0989 8.4956 119.1774 53.2595 43.6585 176.0681 40 K 4.6250 8.9817 123.7810 54.5866 35.2679 174.5294 41 L 5.3018 8.7380 126.8347 53.3306 44.2942 175.9858 42 T 4.8752 9.2154 120.1991 61.7260 72.8122 172.4743 43 F 5.3933 9.0879 128.1230 56.5053 41.6898 174.2870 44 K 4.7780 8.3178 126.3348 54.5112 36.0945 174.8156 45 V 4.5256 8.5513 125.7278 61.4814 34.2953 174.2659 46 T 5.0058 8.2235 124.4846 62.6951 70.1570 174.1078 47 Q 4.5899 8.9079 124.2983 54.4097 33.2784 173.2655 48 K 4.2117 8.8270 125.9473 57.5167 32.7188 177.7847 49 T 4.1211 8.8364 123.3996 66.3267 68.6465 176.7505 50 Q 4.1039 8.1990 118.3976 58.3957 28.8058 177.1566 51 R 4.5994 8.1829 118.1973 55.8907 30.6135 178.0373 52 R 3.9330 8.2856 122.3117 59.2358 29.7583 178.0337 53 W 4.3184 8.3299 116.1796 59.5888 27.9377 177.9721 54 F 3.4480 6.8973 121.4660 60.8301 38.6800 177.2061 55 L 3.9910 7.6605 118.2267 57.6126 41.3783 179.0291 56 D 4.3833 8.4516 119.2871 57.2889 40.7882 178.3570 57 K 3.7834 8.3273 120.4888 59.7361 32.0435 178.2947 58 L 3.6841 7.4410 119.9402 57.8880 41.7945 178.9402 59 V 3.7410 7.5629 117.7686 66.2967 31.2276 177.5707 60 D 4.2992 7.6403 116.1348 57.3210 41.1223 177.7839 61 E 3.9088 8.0117 118.2693 59.4395 29.5671 179.0777 62 I 3.8638 7.9148 119.2334 62.3128 37.2480 177.4207 63 G 4.0546 10.0630 107.1374 45.0147 0.0000 172.7268 64 V 4.2796 7.4203 116.9124 61.1828 33.9187 173.2614 65 G 3.6504 10.6444 106.4713 46.4003 0.0000 171.0680 66 Y 4.8684 7.1258 115.3410 56.2107 41.8150 173.5403 67 V 4.9425 8.5800 118.9221 61.0595 34.2303 174.3278 68 R 4.7599 8.9753 127.5874 54.5439 32.9857 173.5953 69 D 4.9985 8.6864 125.6232 52.1342 42.3650 176.0748 70 E 4.7577 9.2624 127.6255 55.9826 31.7426 177.8530 71 G 3.9896 10.0904 115.1294 45.3108 0.0000 177.9885 72 S 4.2373 9.2117 123.0430 60.0688 63.7950 174.0704 73 V 4.9428 7.2684 110.1463 59.5316 35.8863 174.7600 74 S 5.2738 9.3797 117.5108 57.0153 67.3376 173.0384 75 N 5.2137 9.0417 118.2432 51.7755 42.6365 173.3675 76 Y 4.6133 9.0351 125.4258 57.4037 40.5308 174.1602 77 I 4.4342 7.4218 126.3293 59.1240 41.5331 174.0795 78 L 4.7135 8.7823 127.8504 53.6741 44.2720 176.7396 79 S 4.5717 8.8013 121.6077 59.2515 65.6680 175.4737 80 E 4.0830 8.1686 120.3306 56.5778 30.2112 177.8470 81 I 3.7929 8.4408 125.1442 64.2085 37.4155 178.2633 82 K 3.9603 8.0788 120.2019 59.1777 32.1645 176.9832 83 P 4.4075 0.0000 0.0000 65.4903 31.2237 177.9256 84 L 4.0563 8.1153 120.4301 58.1469 42.0078 178.9204 85 R 3.9136 8.2447 118.5990 59.5214 29.9273 178.0041 86 N 4.3718 8.3577 116.8302 56.5408 38.9690 176.6152 87 F 4.4863 8.8427 122.4616 61.5758 39.5123 177.1644 88 L 3.5580 8.3909 118.9779 57.8116 41.1126 179.4756 89 T 3.8037 7.7560 114.9729 67.0053 68.4911 176.2306 90 Q 4.1899 7.6192 118.6802 58.5684 29.0085 177.9233 91 L 4.1315 7.6154 121.4738 57.6580 41.9485 178.3627 92 Q 3.8341 8.1163 119.8979 58.8703 28.6461 176.7669 93 P 4.0263 0.0000 0.0000 64.6473 31.2891 176.8610 94 F 4.7141 7.7515 114.1869 57.3378 40.0434 176.3069 95 L 4.2290 7.5341 121.2222 54.6969 41.9569 176.8218 96 K 4.4380 9.4768 121.4987 57.1249 34.2501 177.4581 97 L 4.3693 8.3390 116.6828 55.5842 42.7676 177.3612 98 K 5.0629 7.9836 115.5602 55.4539 32.7513 177.8666 99 Q 3.9273 8.0521 122.8539 59.1962 28.8269 178.3419 100 K 3.9375 7.9168 119.0377 59.4163 32.2404 178.9506 101 Q 3.9742 8.1478 117.6414 59.0778 28.6577 178.8332 102 A 4.0152 7.9392 121.4146 55.4994 18.3738 179.5356 103 N 4.2725 8.2787 114.8405 56.1775 38.4467 177.7134 104 L 3.8333 8.1607 120.8831 57.6618 41.7233 179.5703 105 V 3.6367 8.0384 118.3378 66.1506 31.4639 178.0665 106 L 4.0195 8.0696 118.6508 57.5869 41.2033 179.3370 107 K 3.8261 7.9564 118.7366 59.6768 32.2712 178.6094 108 I 4.3155 8.1904 120.2582 64.8528 36.8388 178.6336 109 T 4.0159 8.2017 116.6887 66.6725 68.0496 176.7202 110 E 4.0613 8.2386 119.7231 58.8321 29.8542 178.3700 111 Q 4.5173 7.9150 115.8608 55.9276 28.9837 177.4077 112 L 4.0819 7.5471 121.1388 57.4075 41.6185 177.0318 113 P 4.4454 0.0000 0.0000 66.1354 31.2965 178.8741 114 S 4.3099 8.1621 112.4910 61.1188 62.5659 176.3443 115 A 4.1608 7.8844 125.2191 55.2770 18.1088 179.4839 116 K 4.2984 7.8160 121.6010 58.1499 32.2710 183.6961 117 E 4.2485 8.2799 115.3811 58.5501 29.8744 180.5071 118 S 4.9098 7.8415 112.6766 54.8539 66.7998 172.6177 119 P 3.4009 0.0000 0.0000 65.6157 31.0765 178.8139 120 D 4.2537 7.9530 117.4394 57.2024 40.7585 178.7532 121 K 3.8677 7.8774 119.7107 59.1121 32.2180 178.4219 122 F 4.0779 8.1491 121.0736 61.2250 39.2598 176.7995 123 L 3.6173 7.5126 119.5416 57.9344 41.5853 178.5364 124 E 3.5803 7.5403 118.1484 59.2353 29.8770 178.7036 125 V 2.1818 7.0198 118.0433 65.5721 31.4083 177.6376 126 C 3.8358 7.6964 117.1231 62.8881 27.8629 176.2222 127 T 4.2084 7.4032 112.4750 63.9057 68.2936 176.7118 128 W 4.4292 7.8096 122.1656 59.3518 29.0370 178.4672 129 V 3.6239 7.8673 117.9535 66.2974 30.7788 177.4254 130 D 4.3951 8.1322 118.4244 57.8225 40.7276 179.1268 131 Q 4.0383 8.1517 118.2928 58.7857 28.6494 178.8686 132 I 3.7015 7.7474 120.3109 64.3676 36.9745 178.2050 133 A 4.0033 7.8302 120.0752 55.2228 18.2235 179.2089 134 A 4.0793 7.9788 118.3934 55.3065 18.4924 179.5906 135 L 4.1181 7.6444 116.2829 56.8014 41.9011 177.5797 136 N 4.6572 7.5476 115.4480 52.8098 39.7972 175.4662 137 D 4.6358 8.1266 120.3480 53.3590 39.4611 176.7537 138 S 4.3532 7.6043 114.2015 58.1176 63.5641 173.6719 139 K 4.6126 8.5695 123.8295 56.0638 34.5128 176.9830 140 T 4.5956 7.7978 106.7518 60.9510 69.2214 173.8201 141 R 4.1121 7.9765 121.5366 56.7980 30.8937 174.9142 142 K 4.3199 8.6481 123.1121 58.0014 34.1360 176.1272 143 T 4.3936 7.8273 114.8804 62.4898 69.4534 174.5588 144 T 4.6897 8.3056 116.7174 58.9812 73.2237 174.7561 145 S 4.0514 8.8571 118.1742 62.5463 62.1290 177.2784 146 E 4.0067 8.0878 121.1161 60.9188 29.1869 181.9470 147 T 4.1014 7.6922 114.7560 66.7178 68.8028 176.1047 148 V 3.5982 7.5554 119.9491 66.2124 31.4892 178.0548 149 R 3.8776 8.0310 117.8561 58.8373 29.7084 178.7146 150 A 4.4419 7.4975 122.0604 51.6467 17.4650 178.2214 151 V 4.1187 7.7725 119.6228 63.6084 32.1679 176.9022 152 L 4.1029 7.9716 120.7682 55.4714 41.7338 176.7560 153 D 4.7437 8.3932 123.5090 54.5045 40.5398 175.6441 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 2 N 8.42 4.69 0.00 2.71 2.94 0.00 0.00 6.97 6.65 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 3 T 8.36 3.56 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 0.72 0.00 0.00 4 K 8.99 4.45 0.00 1.64 1.69 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.33 7.81 5 Y 8.91 4.61 0.00 3.19 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 6 N 8.80 4.40 0.00 2.78 2.78 0.00 0.00 6.80 6.21 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 7 K 8.77 3.83 0.00 1.90 1.80 0.00 1.84 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.36 1.38 7.81 8 E 8.26 3.95 0.00 2.22 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 0.00 2.40 2.37 0.00 9 F 8.59 4.21 0.00 3.10 3.34 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 10 L 7.95 3.66 0.00 1.39 1.60 1.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.53 3.62 0.00 1.67 1.60 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.69 3.93 0.00 3.15 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 13 L 8.20 3.95 0.00 1.26 1.28 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.48 4.10 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 15 G 7.85 3.44 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 0.00 16 F 8.09 3.79 0.00 2.86 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 17 V 8.35 3.69 2.40 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 1.23 0.00 0.00 1.36 0.00 0.00 18 D 8.14 4.48 0.00 2.86 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 19 G 7.58 3.55 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 0.00 0.00 0.00 20 D 8.27 4.59 0.00 2.02 2.63 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 21 G 7.66 4.34 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 0.00 22 S 8.69 4.67 0.00 3.80 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 23 I 8.55 4.88 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.94 1.00 0.00 0.00 24 I 9.03 4.55 1.89 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 1.16 0.75 0.98 0.00 0.00 25 A 8.70 5.26 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 26 Q 9.25 4.66 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 I 8.36 4.75 1.84 0.00 0.00 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 1.09 0.53 0.88 0.00 0.00 28 E 9.39 4.69 0.00 1.98 1.73 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 2.21 2.24 0.00 29 P 0.00 4.71 0.00 2.11 2.07 0.00 3.88 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 2.01 2.00 0.00 30 N 8.77 4.42 0.00 2.81 2.87 0.00 0.00 6.88 8.66 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 31 A 9.16 4.28 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 32 S 8.56 4.45 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.76 4.49 0.00 3.16 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 34 K 8.70 3.55 0.00 1.38 1.38 0.00 1.16 0.00 0.00 1.34 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.64 7.81 35 F 7.67 4.93 0.00 2.46 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 36 K 8.73 4.23 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.58 7.81 37 H 7.75 5.51 0.00 3.30 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.78 4.75 0.00 1.56 0.80 0.00 2.69 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 39 L 8.50 5.10 0.00 1.62 1.66 0.90 0.63 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 40 K 8.98 4.62 0.00 1.79 1.63 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 41 L 8.74 5.30 0.00 1.58 1.62 0.98 0.93 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 42 T 9.22 4.88 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 1.18 0.00 0.00 43 F 9.09 5.39 0.00 3.28 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 44 K 8.32 4.78 0.00 1.68 1.41 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.25 7.81 45 V 8.55 4.53 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 1.31 0.00 0.00 0.83 0.00 0.00 46 T 8.22 5.01 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 1.24 0.00 0.00 47 Q 8.91 4.59 0.00 2.19 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 48 K 8.83 4.21 0.00 1.87 1.68 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.51 7.81 49 T 8.84 4.12 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 50 Q 8.20 4.10 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.48 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 51 R 8.18 4.60 0.00 1.84 1.57 0.00 2.98 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 52 R 8.29 3.93 0.00 2.18 2.03 0.00 3.17 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 53 W 8.33 4.32 0.00 3.71 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 6.90 3.45 0.00 1.51 2.49 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 55 L 7.66 3.99 0.00 1.92 1.80 0.97 1.27 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 56 D 8.45 4.38 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.33 3.78 0.00 1.97 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.43 7.81 58 L 7.44 3.68 0.00 1.63 1.37 0.71 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.56 3.74 2.33 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 1.21 0.00 0.00 1.23 0.00 0.00 60 D 7.64 4.30 0.00 2.64 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 61 E 8.01 3.91 0.00 1.84 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 2.07 2.28 0.00 62 I 7.91 3.86 1.79 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.38 0.62 0.00 0.00 63 G 10.06 4.05 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 0.00 0.00 0.00 64 V 7.42 4.28 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 0.75 0.00 0.00 1.00 0.00 0.00 65 G 10.64 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 66 Y 7.13 4.87 0.00 3.01 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 67 V 8.58 4.94 2.19 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 0.93 0.00 0.00 1.07 0.00 0.00 68 R 8.98 4.76 0.00 2.08 1.80 0.00 3.20 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 1.55 1.59 0.00 69 D 8.69 5.00 0.00 2.77 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 70 E 9.26 4.76 0.00 2.05 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 2.25 2.23 0.00 71 G 10.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.21 4.24 0.00 4.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.27 4.94 2.18 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 0.75 0.00 0.00 0.93 0.00 0.00 74 S 9.38 5.27 0.00 3.71 3.74 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 0.00 0.00 0.00 75 N 9.04 5.21 0.00 2.62 2.58 0.00 0.00 7.00 8.14 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 76 Y 9.04 4.61 0.00 3.06 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 77 I 7.42 4.43 0.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.95 0.64 0.00 0.00 78 L 8.78 4.71 0.00 1.69 1.71 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.80 4.57 0.00 3.94 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 80 E 8.17 4.08 0.00 2.07 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 2.46 2.48 0.00 81 I 8.44 3.79 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.91 0.98 0.00 0.00 82 K 8.08 3.96 0.00 1.86 1.85 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.55 7.81 83 P 0.00 4.41 0.00 2.40 2.38 0.00 3.86 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 2.27 2.09 0.00 84 L 8.12 4.06 0.00 2.01 2.02 1.10 0.69 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 85 R 8.24 3.91 0.00 2.08 2.14 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 86 N 8.36 4.37 0.00 2.97 3.07 0.00 0.00 6.91 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 87 F 8.84 4.49 0.00 3.16 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 88 L 8.39 3.56 0.00 1.65 1.61 0.98 0.51 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 89 T 7.76 3.80 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 1.20 0.00 0.00 90 Q 7.62 4.19 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 91 L 7.62 4.13 0.00 0.87 1.09 0.81 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.12 3.83 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.69 0.00 93 P 0.00 4.03 0.00 0.92 1.61 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 94 F 7.75 4.71 0.00 3.11 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 95 L 7.53 4.23 0.00 1.68 1.59 0.93 1.35 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 96 K 9.48 4.44 0.00 1.75 1.80 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.37 7.81 97 L 8.34 4.37 0.00 1.75 1.69 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.98 5.06 0.00 1.93 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.36 1.40 7.81 99 Q 8.05 3.93 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 100 K 7.92 3.94 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.49 7.81 101 Q 8.15 3.97 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 102 A 7.94 4.02 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 0.00 103 N 8.28 4.27 0.00 2.68 2.79 0.00 0.00 7.08 6.33 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 0.00 104 L 8.16 3.83 0.00 1.81 1.73 0.90 0.89 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 0.00 105 V 8.04 3.64 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 1.10 0.00 0.00 1.02 0.00 0.00 106 L 8.07 4.02 0.00 1.86 1.69 0.88 0.54 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 0.00 107 K 7.96 3.83 0.00 1.68 1.74 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.68 1.08 7.81 108 I 8.19 4.32 2.17 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 1.02 0.00 0.00 109 T 8.20 4.02 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 110 E 8.24 4.06 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 111 Q 7.91 4.52 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.84 3.04 0.00 112 L 7.55 4.08 0.00 1.78 1.82 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.45 0.00 2.20 2.15 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 114 S 8.16 4.31 0.00 3.92 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 0.00 115 A 7.88 4.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.82 4.30 0.00 1.91 1.73 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.25 7.81 117 E 8.28 4.25 0.00 1.96 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 2.28 2.17 0.00 118 S 7.84 4.91 0.00 3.86 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 0.00 119 P 0.00 3.40 0.00 2.09 1.88 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 120 D 7.95 4.25 0.00 2.69 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 0.00 121 K 7.88 3.87 0.00 1.85 1.80 0.00 1.47 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.51 7.81 122 F 8.15 4.08 0.00 3.22 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 0.00 123 L 7.51 3.62 0.00 1.85 1.58 0.80 1.25 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 0.00 124 E 7.54 3.58 0.00 1.83 1.82 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 1.66 1.63 0.00 125 V 7.02 2.18 1.76 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 0.85 0.00 0.00 0.49 0.00 0.00 126 C 7.70 3.84 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.40 4.21 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 1.18 0.00 0.00 128 W 7.81 4.43 0.00 3.53 3.12 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 0.00 0.00 0.00 129 V 7.87 3.62 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 1.08 0.00 0.00 0.96 0.00 0.00 130 D 8.13 4.40 0.00 2.97 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 0.00 131 Q 8.15 4.04 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 132 I 7.75 3.70 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.94 0.00 0.00 133 A 7.83 4.00 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 0.00 134 A 7.98 4.08 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 0.00 135 L 7.64 4.12 0.00 1.80 1.73 0.91 1.12 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 0.00 136 N 7.55 4.66 0.00 2.88 2.76 0.00 0.00 7.04 8.18 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 0.00 137 D 8.13 4.64 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 0.00 138 S 7.60 4.35 0.00 3.98 3.76 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 0.00 139 K 8.57 4.61 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.58 7.81 140 T 7.80 4.60 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 1.21 0.00 0.00 141 R 7.98 4.11 0.00 1.79 1.86 0.00 3.17 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 142 K 8.65 4.32 0.00 1.71 1.75 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.42 7.81 143 T 7.83 4.39 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 144 T 8.31 4.69 4.34 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 1.24 0.00 0.00 145 S 8.86 4.05 0.00 3.94 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 0.00 146 E 8.09 4.01 0.00 2.03 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 0.00 2.24 2.22 0.00 147 T 7.69 4.10 4.34 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 1.25 0.00 0.00 148 V 7.56 3.60 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 1.14 0.00 0.00 0.76 0.00 0.00 149 R 8.03 3.88 0.00 1.88 2.03 0.00 3.13 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 150 A 7.50 4.44 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 0.00 151 V 7.77 4.12 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 0.72 0.00 0.00 1.03 0.00 0.00 152 L 7.97 4.10 0.00 1.62 1.76 0.91 1.07 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 0.00 153 D 8.39 4.74 0.00 2.75 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