NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4758 8.1633 118.3323 55.0524 33.5064 173.8078 2 K 4.6695 8.3964 120.6854 55.0627 33.8935 173.8782 3 I 4.8810 8.8566 126.6349 59.3767 40.5380 173.9424 4 L 4.7920 8.7196 129.3611 53.5250 44.0402 175.1072 5 V 4.7435 9.1897 127.8427 61.6281 33.1637 174.1109 6 I 5.0817 8.7036 130.0945 59.8372 39.4525 174.9024 7 Q 4.7629 9.4323 126.7658 54.3103 31.3055 175.4504 8 G 4.2480 8.8147 117.7415 43.8526 0.0000 170.6355 9 P 4.3232 0.0000 0.0000 64.0781 31.9399 176.6350 10 N 4.5381 9.2096 117.6943 53.6722 38.2660 176.6116 11 L 3.8988 7.3428 118.5013 57.5268 41.7932 179.1080 12 N 4.3730 7.9666 114.5983 55.5048 37.5327 175.4593 13 M 4.3563 7.9639 117.7656 55.4205 32.6006 176.1604 14 L 4.0549 7.6291 120.6308 56.1433 42.1806 178.7554 15 G 4.0214 8.7178 108.7353 46.3672 0.0000 173.7221 16 H 4.8971 7.8461 115.0270 55.9724 30.4010 175.0038 17 R 4.5560 7.5334 116.5507 55.7007 34.6082 174.1089 18 D 4.3828 8.8735 119.2591 54.7618 39.6014 172.7723 19 P 4.7848 0.0000 0.0000 65.7260 31.6558 178.5342 20 R 4.0936 7.9051 116.3388 58.0776 30.0546 177.9760 21 L 4.0318 7.7593 119.0247 56.8283 42.6628 176.5558 22 Y 4.5920 7.9969 112.3675 57.2772 39.0115 176.2822 23 G 3.9127 8.6719 108.8523 45.2929 0.0000 173.5119 24 M 4.4864 8.1607 115.4661 55.0261 33.4115 176.6467 25 V 3.9787 7.6253 119.7190 62.3506 32.3958 176.3427 26 T 4.3812 8.5393 119.6375 60.3701 70.9834 175.4924 27 L 3.6903 8.0958 122.0663 58.2027 42.0618 178.4717 28 D 4.1635 7.8375 118.4230 57.3970 40.8187 178.6237 29 Q 3.9538 7.9710 118.5679 58.8152 28.6520 178.7382 30 I 3.6219 7.6878 120.8875 64.7916 37.1275 178.2387 31 H 3.9688 7.7251 117.1645 58.5908 28.3565 177.7558 32 E 4.0332 8.1190 119.4321 59.2578 29.3796 179.3025 33 I 3.7871 7.7520 121.0365 64.5180 37.1696 178.2324 34 M 4.4301 8.2208 120.9766 57.9962 31.7203 178.7806 35 Q 4.1671 8.3347 118.2644 59.4056 28.9268 179.1214 36 T 3.9125 8.1322 116.7631 66.5244 68.3557 176.3771 37 F 4.0638 8.5253 122.7304 61.4364 39.3020 177.3731 38 V 3.7183 8.0562 117.5618 65.9000 31.3932 177.8482 39 K 3.8739 8.3108 118.2366 59.8928 31.8509 179.5050 40 Q 3.9577 8.5482 116.8301 58.4588 28.7350 177.7163 41 G 3.6444 7.5092 104.7402 44.8971 0.0000 173.1863 42 N 4.1196 8.0529 116.8059 53.9267 36.8202 174.6824 43 L 4.1930 7.6498 116.7896 54.8615 43.1216 177.9883 44 D 4.6620 8.3038 122.6110 53.1964 39.7734 175.9537 45 V 4.6075 7.3198 118.8957 60.9883 35.1187 174.7404 46 E 4.5569 9.4254 129.3666 54.4569 31.2292 174.6031 47 L 4.6233 8.4142 127.4635 54.0803 43.0411 176.0401 48 E 4.5107 8.8091 123.7771 54.3191 32.5405 174.2856 49 F 5.3548 8.7234 125.0342 55.8767 41.5148 175.0242 50 F 4.9718 9.5773 125.2395 56.7816 42.6022 172.8009 51 Q 5.0457 8.1147 126.7184 54.7895 31.4284 174.1159 52 T 4.4882 8.3880 117.5813 61.5815 71.1674 173.4714 53 N 4.7369 9.1239 122.6528 53.3793 39.4473 175.3711 54 F 4.7320 8.3663 119.4881 55.5628 40.7027 175.6492 55 E 3.8505 8.9819 125.0089 59.5725 29.3263 179.1524 56 G 3.6761 8.1581 104.8903 47.8061 0.0000 175.3712 57 E 4.2125 8.3865 120.3976 59.1894 29.5535 179.3130 58 I 3.8964 7.8890 119.5837 64.4284 37.1629 178.4440 59 I 3.6737 7.8194 120.4933 64.6013 36.9187 177.8851 60 D 4.3559 8.4547 120.0753 57.7514 40.4876 179.4260 61 K 3.6902 7.7628 118.4396 59.2609 32.2984 178.7028 62 I 3.7890 7.8122 120.3057 64.3653 36.8597 178.4386 63 Q 3.9978 8.2930 119.1554 58.7143 28.3479 178.1192 64 E 3.9572 8.2030 119.6435 59.0106 29.9914 178.7409 65 S 4.2493 7.8107 115.2437 61.3114 62.5722 176.4590 66 V 3.4861 7.3677 121.2536 65.6591 31.5486 176.1827 67 G 3.7989 8.1909 109.0891 45.5243 0.0000 173.1583 68 S 4.0416 7.6367 126.0384 58.8739 61.8490 171.5016 69 D 4.5150 9.3391 123.1015 55.5335 43.3535 174.9793 70 Y 4.6412 7.7142 115.3167 57.1888 39.0468 175.0966 71 E 4.6218 9.0870 123.4405 57.1848 32.0221 176.3512 72 G 4.3125 7.9108 104.2871 45.0392 0.0000 171.8677 73 I 5.1535 8.9253 122.0772 59.2776 40.5758 174.7671 74 I 4.7953 8.6192 127.3342 59.7057 39.2599 174.3839 75 I 4.9242 9.1047 128.1046 59.1940 41.1504 173.7570 76 N 5.1898 9.0849 128.5047 50.5209 39.4584 172.9875 77 P 4.5446 0.0000 0.0000 62.2298 32.8866 178.0047 78 G 3.6790 8.5297 107.8398 46.1120 0.0000 176.1786 79 A 4.1448 8.2048 121.9555 54.8234 18.7938 179.4769 80 F 4.8225 7.5595 116.0514 59.4873 38.8068 177.5072 81 S 4.4884 8.0903 117.0208 61.0995 62.4293 175.7072 82 H 5.1916 8.1322 117.4698 56.0167 29.1379 176.0848 83 T 4.6710 7.8751 109.0113 61.4306 70.9584 173.0374 84 S 4.6291 8.4353 117.3943 56.8182 61.5747 174.0875 85 I 3.4034 7.7459 129.6411 63.6667 36.9736 177.6160 86 A 3.9429 7.7955 121.2659 55.2942 18.1514 179.6346 87 I 3.6986 8.0727 118.3064 64.1045 37.1663 178.2635 88 A 4.0305 7.8307 121.3020 55.5558 18.1949 179.4229 89 D 4.2814 8.4756 117.3023 57.4191 40.6456 178.8738 90 A 3.9821 7.7661 120.2031 55.2274 18.7927 179.3796 91 I 3.8079 8.0482 118.4902 64.8750 36.9808 178.5442 92 M 4.0895 7.9065 118.1322 58.3469 31.9436 178.2774 93 L 4.2412 7.9183 116.0252 55.9770 40.8190 178.5542 94 A 4.1782 7.9939 121.6023 52.4902 18.2078 177.9113 95 G 3.9133 8.4409 104.5006 45.8321 0.0000 173.1129 96 K 4.5523 7.4060 114.2527 54.1223 35.9486 173.4880 97 P 4.2925 0.0000 0.0000 63.5713 32.3810 175.5963 98 V 4.9314 8.4040 122.9419 61.2205 35.1141 173.7090 99 I 4.8391 8.7291 128.5657 59.5198 39.9915 174.0721 100 E 4.9483 8.7975 127.9731 54.9266 30.9357 174.7726 101 V 4.8755 8.6566 126.3904 61.3472 34.9888 173.7888 102 H 5.0294 8.9837 123.5203 53.9484 32.2503 174.3865 103 L 4.1623 9.0107 123.2076 57.7790 42.4773 177.6867 104 T 4.5579 7.8683 106.4568 59.7590 70.8826 174.0884 105 N 4.4976 8.2196 120.7592 52.5623 37.6655 175.2479 106 I 3.9405 8.0343 118.4440 62.1652 37.9895 177.1589 107 Q 4.0786 8.0782 119.4935 57.4456 28.8392 176.3601 108 A 4.7555 7.8527 120.3592 51.6721 19.9773 176.5557 109 R 4.6312 7.3858 118.9079 56.6320 32.2119 175.4713 110 E 3.8769 8.2128 120.8705 57.1444 30.2713 177.7292 111 E 3.8946 8.4930 120.8107 59.4503 29.6422 179.1559 112 F 4.4821 7.5191 111.4389 58.3852 38.1811 175.8814 113 R 3.8951 7.4038 119.5597 56.4873 30.5140 177.6945 114 K 4.1697 7.7849 118.1694 59.0387 32.5592 177.5964 115 N 4.2506 7.9580 117.8091 53.4156 39.5126 173.4607 116 S 4.6421 8.2205 118.5131 55.7612 64.1296 173.7333 117 Y 4.2842 8.2534 127.2960 61.2703 38.1965 178.4158 118 T 4.2027 8.1403 110.3145 64.9169 68.8355 176.6687 119 G 3.6402 8.3801 108.4623 47.2595 0.0000 175.5229 120 A 4.0343 7.9613 122.0695 54.7377 18.4299 178.9185 121 A 4.2640 7.7092 117.4777 53.0629 19.2450 177.6268 122 C 4.4529 7.0253 114.9546 58.9571 29.2283 174.1450 123 G 3.7796 8.3639 109.4032 49.1103 0.0000 174.2155 124 G 4.4620 7.8622 105.4651 44.5540 0.0000 171.9535 125 V 5.1339 8.2957 119.9892 60.9333 34.9326 174.6772 126 I 4.9409 8.6796 127.2091 59.7597 40.8067 174.2863 127 M 5.7810 8.4440 122.5932 55.5306 33.8238 175.1655 128 G 3.7150 9.3349 109.5935 45.4616 0.0000 173.6290 129 F 4.5023 7.9634 116.5642 56.2133 40.2444 177.9851 130 G 3.8537 8.0033 110.3792 45.5693 0.0000 173.5742 131 P 4.5174 0.0000 0.0000 65.9070 31.3032 177.7882 132 L 4.0347 8.3085 118.6772 58.2576 41.7973 179.0343 133 G 3.6309 8.3655 105.5782 48.0465 0.0000 175.2168 134 Y 4.0840 8.2732 119.0000 60.8589 37.4241 177.9218 135 N 3.9139 8.0847 117.1517 56.1319 38.6453 177.1643 136 M 3.9168 8.0426 120.0485 58.2910 32.0300 178.6398 137 A 3.9325 7.8998 120.7981 54.9641 18.4367 179.5940 138 L 3.8805 7.8450 117.4658 58.2305 41.8566 179.2459 139 M 4.1067 7.9385 117.7908 58.7702 32.0223 178.2133 140 A 3.9610 7.8488 120.6490 55.3891 18.5599 179.2662 141 M 3.9754 8.4625 117.2244 58.7804 32.2730 178.6321 142 V 3.6193 8.1154 118.6175 66.1253 31.7350 177.8280 143 N 4.3897 8.1484 115.9536 56.2359 38.1018 177.5868 144 I 3.7273 7.9586 120.9261 64.3622 37.4319 178.2170 145 L 4.0907 8.5125 119.9542 58.0920 41.6556 179.2803 146 A 3.9018 8.1487 119.9999 55.6780 18.3450 179.4699 147 E 4.0129 8.6024 116.3956 59.7064 29.3205 179.7500 148 M 4.1525 8.1016 118.5805 58.0068 31.8329 178.2613 149 K 4.1412 8.0653 119.2508 59.0946 32.2546 178.6656 150 A 4.0535 7.7736 120.2731 55.0689 18.4922 178.9763 151 F 4.1905 7.9966 116.7977 59.8845 39.5688 175.7238 152 Q 4.3543 7.5624 120.8929 56.5507 28.9270 174.9720 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 4.48 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.79 0.00 2 K 8.40 4.67 0.00 1.84 1.63 0.00 1.38 0.00 0.00 1.38 0.00 0.00 2.63 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.42 7.81 3 I 8.86 4.88 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 0.91 0.00 0.00 4 L 8.72 4.79 0.00 1.68 1.45 0.81 0.07 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 5 V 9.19 4.74 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 1.14 0.00 0.00 0.84 0.00 0.00 6 I 8.70 5.08 1.97 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 1.42 0.64 1.09 0.00 0.00 7 Q 9.43 4.76 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 8 G 8.81 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 0.00 0.00 0.00 0.00 9 P 0.00 4.32 0.00 1.78 1.57 0.00 3.58 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 10 N 9.21 4.54 0.00 2.80 2.93 0.00 0.00 6.87 6.34 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 11 L 7.34 3.90 0.00 1.73 1.65 0.86 0.50 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 12 N 7.97 4.37 0.00 2.79 3.04 0.00 0.00 6.05 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 13 M 7.96 4.36 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 14 L 7.63 4.05 0.00 1.73 1.63 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.72 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.85 4.90 0.00 3.28 3.32 0.00 5.65 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 17 R 7.53 4.56 0.00 1.77 1.81 0.00 3.54 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 18 D 8.87 4.38 0.00 2.88 2.78 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 0.00 0.00 0.00 19 P 0.00 4.78 0.00 2.31 2.31 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 20 R 7.91 4.09 0.00 1.76 1.99 0.00 3.17 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 21 L 7.76 4.03 0.00 1.45 1.53 0.54 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.00 4.59 0.00 2.98 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 23 G 8.67 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.16 4.49 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 25 V 7.63 3.98 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 0.81 0.00 0.00 0.94 0.00 0.00 26 T 8.54 4.38 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 1.10 0.00 0.00 27 L 8.10 3.69 0.00 1.75 1.54 0.71 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.84 4.16 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.97 3.95 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 I 7.69 3.62 1.61 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 1.46 0.71 0.56 0.00 0.00 31 H 7.73 3.97 0.00 2.71 1.54 0.00 5.64 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 32 E 8.12 4.03 0.00 2.19 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 0.00 2.47 2.33 0.00 33 I 7.75 3.79 2.04 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 1.55 0.65 0.97 0.00 0.00 34 M 8.22 4.43 0.00 2.25 2.48 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.64 0.00 35 Q 8.33 4.17 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.83 2.69 0.00 36 T 8.13 3.91 4.45 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 1.25 0.00 0.00 37 F 8.53 4.06 0.00 3.30 3.31 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 38 V 8.06 3.72 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.12 0.00 0.00 39 K 8.31 3.87 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.69 7.81 40 Q 8.55 3.96 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 41 G 7.51 3.64 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 0.00 0.00 0.00 42 N 8.05 4.12 0.00 2.74 2.83 0.00 0.00 6.96 7.46 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 43 L 7.65 4.19 0.00 1.70 1.64 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.30 4.66 0.00 2.63 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 45 V 7.32 4.61 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 0.87 0.00 0.00 0.97 0.00 0.00 46 E 9.43 4.56 0.00 1.98 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 2.14 2.22 0.00 47 L 8.41 4.62 0.00 1.31 0.79 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.81 4.51 0.00 2.07 1.80 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 2.22 2.30 0.00 49 F 8.72 5.35 0.00 2.95 2.74 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 50 F 9.58 4.97 0.00 3.00 2.88 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 51 Q 8.11 5.05 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 52 T 8.39 4.49 3.85 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 1.43 0.00 0.00 53 N 9.12 4.74 0.00 2.60 2.66 0.00 0.00 6.88 7.45 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 54 F 8.37 4.73 0.00 3.19 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.98 3.85 0.00 1.16 1.67 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 2.18 1.99 0.00 56 G 8.16 3.68 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 0.00 0.00 0.00 57 E 8.39 4.21 0.00 2.42 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 2.41 2.35 0.00 58 I 7.89 3.90 2.16 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.33 1.02 0.00 0.00 59 I 7.82 3.67 1.86 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 1.51 0.72 0.89 0.00 0.00 60 D 8.45 4.36 0.00 2.89 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 61 K 7.76 3.69 0.00 1.49 1.82 0.00 1.33 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.91 1.11 7.81 62 I 7.81 3.79 1.97 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 1.51 1.37 0.93 0.00 0.00 63 Q 8.29 4.00 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 64 E 8.20 3.96 0.00 1.95 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 2.30 2.31 0.00 65 S 7.81 4.25 0.00 4.01 3.87 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 66 V 7.37 3.49 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 0.74 0.00 0.00 0.93 0.00 0.00 67 G 8.19 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 0.00 0.00 0.00 68 S 7.64 4.04 0.00 3.85 3.78 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 0.00 0.00 0.00 69 D 9.34 4.52 0.00 2.38 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 0.00 0.00 0.00 70 Y 7.71 4.64 0.00 3.01 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 71 E 9.09 4.62 0.00 1.83 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 2.24 2.30 0.00 72 G 7.91 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 0.00 0.00 0.00 73 I 8.93 5.15 1.88 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 1.18 0.70 0.92 0.00 0.00 74 I 8.62 4.80 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 1.04 0.00 0.00 75 I 9.10 4.92 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 2.01 0.94 0.00 0.00 76 N 9.08 5.19 0.00 2.92 2.98 0.00 0.00 7.10 8.49 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 77 P 0.00 4.54 0.00 2.42 2.20 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.14 0.00 78 G 8.53 3.68 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 0.00 0.00 0.00 79 A 8.20 4.14 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 80 F 7.56 4.82 0.00 3.18 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 81 S 8.09 4.49 0.00 3.60 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 82 H 8.13 5.19 0.00 3.25 3.48 0.00 5.56 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 T 7.88 4.67 4.36 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 1.32 0.00 0.00 84 S 8.44 4.63 0.00 3.83 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 85 I 7.75 3.40 1.60 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.75 0.00 0.00 86 A 7.80 3.94 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 87 I 8.07 3.70 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.97 0.00 0.00 88 A 7.83 4.03 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 89 D 8.48 4.28 0.00 2.78 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 90 A 7.77 3.98 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 91 I 8.05 3.81 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.96 0.00 0.00 92 M 7.91 4.09 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.60 0.00 93 L 7.92 4.24 0.00 1.61 1.71 0.94 0.68 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 94 A 7.99 4.18 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 95 G 8.44 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.41 4.55 0.00 1.96 1.77 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.42 7.81 97 P 0.00 4.29 0.00 2.10 2.05 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 98 V 8.40 4.93 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 1.03 0.00 0.00 1.01 0.00 0.00 99 I 8.73 4.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.87 0.00 0.00 100 E 8.80 4.95 0.00 2.06 1.79 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 2.10 2.11 0.00 101 V 8.66 4.88 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.70 0.00 0.00 102 H 8.98 5.03 0.00 3.13 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 9.01 4.16 0.00 1.81 1.89 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.87 4.56 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 105 N 8.22 4.50 0.00 2.62 2.69 0.00 0.00 6.63 7.82 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 0.00 106 I 8.03 3.94 2.01 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 1.34 0.66 0.80 0.00 0.00 107 Q 8.08 4.08 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.38 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 108 A 7.85 4.76 1.16 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 0.00 109 R 7.39 4.63 0.00 1.62 1.58 0.00 3.15 0.00 0.00 3.17 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 110 E 8.21 3.88 0.00 1.16 1.12 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 2.01 2.12 0.00 111 E 8.49 3.89 0.00 1.95 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 2.22 0.00 112 F 7.52 4.48 0.00 2.97 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 0.00 113 R 7.40 3.90 0.00 1.73 1.83 0.00 3.08 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.19 0.00 114 K 7.78 4.17 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.28 7.81 115 N 7.96 4.25 0.00 2.67 2.55 0.00 0.00 6.58 7.16 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 0.00 116 S 8.22 4.64 0.00 3.90 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 0.00 117 Y 8.25 4.28 0.00 3.07 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 0.00 118 T 8.14 4.20 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 1.31 0.00 0.00 119 G 8.38 3.64 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 0.00 0.00 0.00 120 A 7.96 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 0.00 121 A 7.71 4.26 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 0.00 122 C 7.03 4.45 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.36 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.86 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 0.00 125 V 8.30 5.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 126 I 8.68 4.94 1.82 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 1.24 0.66 0.96 0.00 0.00 127 M 8.44 5.78 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 128 G 9.33 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.96 4.50 0.00 3.04 3.10 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 0.00 130 G 8.00 3.85 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 0.00 0.00 0.00 131 P 0.00 4.52 0.00 2.24 2.20 0.00 3.70 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 2.17 2.24 0.00 132 L 8.31 4.03 0.00 1.82 1.96 0.93 1.07 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 0.00 133 G 8.37 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 0.00 134 Y 8.27 4.08 0.00 3.20 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 0.00 135 N 8.08 3.91 0.00 2.74 2.35 0.00 0.00 7.16 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 0.00 136 M 8.04 3.92 0.00 1.82 2.06 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.29 0.00 137 A 7.90 3.93 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 0.00 138 L 7.84 3.88 0.00 1.65 1.57 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 139 M 7.94 4.11 0.00 2.20 2.24 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 2.67 2.59 0.00 140 A 7.85 3.96 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 0.00 141 M 8.46 3.98 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 142 V 8.12 3.62 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 1.02 0.00 0.00 1.04 0.00 0.00 143 N 8.15 4.39 0.00 3.02 2.86 0.00 0.00 7.06 6.82 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 0.00 144 I 7.96 3.73 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.55 0.91 0.00 0.00 145 L 8.51 4.09 0.00 1.72 1.72 0.96 0.98 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 0.00 146 A 8.15 3.90 1.41 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 0.00 0.00 147 E 8.60 4.01 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 148 M 8.10 4.15 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 149 K 8.07 4.14 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 150 A 7.77 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.19 0.00 3.11 3.09 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 0.00 152 Q 7.56 4.35 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.32 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00