NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5034 8.3049 120.3262 55.3003 33.5613 174.2835 2 K 4.1790 8.7652 119.9202 56.4323 34.5174 171.5068 3 V 4.2985 7.6068 118.8438 60.3020 34.4916 174.4320 4 G 3.7346 8.6164 116.9425 46.9977 0.0000 173.5567 5 G 3.9718 9.1028 112.1668 44.9749 0.0000 173.0352 6 I 4.4800 7.0583 120.0491 58.9090 39.6089 176.1216 7 E 4.1791 9.0382 125.2450 56.2334 31.3376 178.0086 8 D 4.4073 8.6365 121.6494 57.5152 40.8335 179.5999 9 R 3.8848 7.8586 118.1097 59.2935 30.2097 178.5089 10 Q 3.9647 8.0894 117.3031 59.0394 28.6731 178.5532 11 L 3.8881 7.8505 120.8707 58.3839 42.2327 178.3791 12 E 3.8707 8.1528 118.7280 59.6610 29.6199 178.8952 13 A 4.0432 8.1906 120.4341 54.8957 18.2968 179.7131 14 L 3.9583 7.9892 117.9254 57.9136 41.7472 179.7099 15 K 3.9758 8.3789 118.8294 59.4702 31.9479 179.7144 16 R 3.9029 7.9659 117.8784 59.1480 29.9467 178.9471 17 A 3.9755 7.9507 120.0500 54.9566 18.1939 179.6238 18 A 3.9075 8.2083 119.4515 55.3035 17.9900 179.8862 19 L 3.9112 7.8926 117.6062 57.8224 41.6624 179.7237 20 K 3.9995 8.2790 119.4130 59.1955 32.1358 178.6937 21 A 4.0624 8.2547 121.1162 55.0571 18.1547 179.1971 22 C 4.0487 7.7189 114.4369 62.9964 27.9169 175.8064 23 E 4.1291 8.0245 118.7758 58.2461 29.1130 178.1505 24 L 4.3352 7.5820 117.5595 54.0549 42.4754 176.9076 25 S 4.2731 7.3909 114.8184 58.4379 62.9994 173.0546 26 Y 4.5633 8.8072 128.6761 56.0350 39.4433 175.3166 27 S 4.5418 7.6003 124.2262 56.2467 62.8358 173.2906 28 P 4.2056 0.0000 0.0000 64.6781 32.1389 177.2498 29 Y 4.4318 7.6787 116.1999 59.6812 39.0463 176.7951 30 S 4.2917 8.4809 112.2747 58.2939 63.9350 174.8269 31 H 4.1342 7.8644 115.5585 55.9922 26.6822 174.0195 32 F 4.6248 8.0414 122.6513 56.9415 39.6136 175.0641 33 R 4.5850 8.4676 128.1323 55.0673 32.1256 175.9462 34 V 4.5936 8.7682 122.1000 61.0390 35.2299 174.3317 35 G 4.6108 9.2029 113.9557 43.7470 0.0000 171.2997 36 C 5.4880 9.0398 121.7641 57.5141 35.6935 172.8489 37 S 5.2396 9.3573 119.2339 56.6738 66.3593 172.8025 38 I 5.0604 9.0447 122.3676 59.5318 41.3023 173.9034 39 L 5.0670 8.8330 129.0456 53.6709 43.8475 176.3229 40 T 4.6124 8.9379 117.8013 60.8439 70.2909 175.3840 41 N 4.4156 8.2940 116.9979 56.6075 38.9429 175.1710 42 N 4.4954 8.1075 113.8442 54.0022 39.1760 174.5708 43 D 4.6132 8.0682 115.6637 55.6305 39.0036 173.7514 44 V 4.1845 7.7845 119.5186 61.9789 33.4069 174.6454 45 I 5.0562 8.0158 126.2500 59.6141 39.3442 174.9374 46 F 4.9387 9.2243 125.1239 55.7960 42.4876 174.3262 47 T 5.1873 8.4208 110.4581 60.4629 72.1976 172.6815 48 G 4.3115 8.8219 107.5325 45.5654 0.0000 171.7946 49 A 5.7528 8.4933 120.9881 48.6446 22.8859 175.6923 50 N 4.7463 8.6707 116.4416 53.0066 39.2148 174.3579 51 V 4.9348 8.9808 120.7976 61.6035 34.4752 174.9624 52 E 5.0206 9.5431 128.4364 55.7100 31.4169 174.8252 53 N 5.2924 8.5794 117.3592 52.3213 41.5732 173.9835 54 A 3.0419 8.9224 126.4452 54.5660 18.7541 177.7029 55 S 4.3060 8.7747 111.9540 56.6458 61.6699 173.6733 56 Y 4.4822 8.2114 126.6048 61.2771 37.8941 179.3752 57 S 4.1722 8.2132 112.7450 61.3183 62.4222 174.4223 58 N 4.6845 8.5317 115.4350 53.9542 38.6150 175.0927 59 C 4.6143 7.9662 117.0870 59.9762 29.2020 173.2908 60 I 4.4988 8.6696 123.3428 59.4835 39.7474 175.3893 61 C 4.6303 8.7031 124.3944 59.3324 29.2218 174.8600 62 A 4.0678 8.7003 122.0443 55.3498 18.0022 179.9398 63 E 3.9111 8.0998 116.6823 59.8241 29.6815 179.7056 64 R 3.6274 7.8045 117.4583 58.9796 30.2235 179.1675 65 S 4.0457 8.0033 114.9967 61.4768 62.8274 176.5717 66 A 3.9763 8.1075 123.5566 55.3897 18.0263 179.6613 67 M 3.6307 7.9784 117.2403 58.2394 31.8919 179.0736 68 I 3.6802 7.7213 120.1195 64.2748 37.0242 178.2831 69 Q 3.9233 7.5201 117.3060 58.9878 28.9256 178.8137 70 V 2.4002 7.2118 118.7644 65.7585 31.4163 177.9319 71 L 3.9763 7.9106 118.7764 58.1553 41.2969 179.2742 72 M 4.2348 8.1989 116.6270 56.9094 32.0515 177.4427 73 A 4.4532 7.6079 119.7398 51.8918 19.4495 177.8427 74 G 3.8132 7.9095 106.1113 45.3446 0.0000 174.4620 75 H 4.7209 7.4178 117.2108 54.5308 27.3796 174.8758 76 R 4.1284 8.3153 123.0511 57.2137 30.5455 175.6115 77 S 3.7889 7.9179 109.4806 59.4704 64.4846 176.1827 78 G 3.9292 8.2031 106.8107 46.1304 0.0000 173.4567 79 W 4.7586 7.7772 118.6646 56.8074 29.6978 176.2099 80 K 4.5370 9.4500 122.1853 58.9782 32.6546 176.5540 81 C 4.3008 7.8331 116.8709 58.5885 35.2089 172.2393 82 M 5.2634 8.3249 122.3635 53.7555 35.5774 173.9350 83 V 4.8921 9.0275 125.7079 61.1476 34.7233 174.0946 84 I 5.1853 9.0820 128.5342 59.5924 40.7123 174.2883 85 C 5.2106 9.2870 121.1477 56.6375 33.1962 173.3354 86 G 4.3039 8.4526 108.2066 44.0782 0.0000 172.8160 87 D 4.3844 7.3996 118.2802 56.3144 41.5202 177.6599 88 S 4.3219 8.3738 114.4326 58.5952 62.4394 174.1648 89 E 4.6271 8.8267 127.0817 58.4947 29.8624 177.8811 90 D 4.7326 8.1436 114.7234 54.2842 40.8290 175.6367 91 Q 4.6587 7.1075 114.5580 55.5628 31.3846 173.7614 92 C 4.3992 8.9222 118.7126 60.0858 29.2952 173.5863 93 V 4.2705 8.0844 122.4667 61.7740 31.4205 175.5865 94 S 4.7197 8.5637 123.2497 55.9732 64.5992 172.4029 95 P 4.9183 0.0000 0.0000 62.2853 31.8743 176.5626 96 C 4.5740 8.5573 116.6270 57.7604 31.9393 174.8403 97 G 3.7446 8.6571 107.4183 47.9007 0.0000 176.0045 98 V 3.6638 7.7797 119.8316 66.3242 31.6622 177.8536 99 C 4.3277 8.1122 115.9379 62.8061 28.0303 176.0733 100 R 4.0633 8.1199 119.8080 59.4518 29.4562 178.9168 101 Q 4.0511 8.0048 118.2198 58.8779 29.3057 177.8717 102 F 4.1823 8.2102 121.3680 61.4458 39.5968 177.1680 103 I 4.0741 8.5583 119.9760 64.6630 36.5426 177.8708 104 N 4.3156 8.4705 117.4818 56.2815 38.4392 176.2724 105 E 3.6820 7.7924 119.7463 57.7953 29.6645 176.7810 106 F 4.4524 7.8260 114.2196 56.6195 40.6368 174.9487 107 V 4.1772 7.0352 112.6334 58.8666 35.0036 175.6448 108 V 3.9261 7.8348 114.3174 60.7534 32.3652 177.7086 109 K 3.9399 8.6772 120.9564 59.7032 31.9577 178.2995 110 D 4.7095 7.9872 115.6005 53.9311 41.2806 175.8917 111 F 4.4040 8.3638 124.2563 58.2158 40.5349 172.3098 112 P 4.8491 0.0000 0.0000 62.3684 33.0955 174.9237 113 I 4.5414 8.9878 125.2174 59.4668 40.0266 174.5840 114 V 4.5253 8.9721 128.7007 61.9026 33.0895 174.3640 115 M 5.1690 9.1775 128.1965 53.6635 34.4315 175.1279 116 L 5.5266 9.4046 122.8291 51.8291 45.0018 175.7215 117 N 5.1412 8.4728 118.5944 51.4883 39.8595 175.6347 118 S 4.9644 9.1884 113.8531 61.2954 63.0432 177.1681 119 T 3.9375 8.7710 108.6770 64.4967 69.3434 174.2773 120 G 3.3180 7.4181 108.9451 44.3552 0.0000 174.3866 121 S 4.1129 7.6589 115.7462 61.2649 62.6328 174.4031 122 R 4.7368 8.5443 119.4195 55.5031 32.0473 175.0394 123 S 5.3402 8.1992 113.4818 58.8301 65.9087 174.0214 124 K 4.6237 8.3770 118.9675 55.3355 36.6191 174.7221 125 V 4.8599 8.4182 124.1418 61.4973 33.6023 174.4919 126 M 5.1552 8.7893 126.1954 54.0499 37.0061 174.5138 127 T 4.8210 9.9640 112.6872 60.7399 71.3645 175.4617 128 M 4.2225 9.0331 121.9763 59.0493 31.9247 178.7676 129 G 3.6808 8.3596 105.2201 47.8204 0.0000 175.2338 130 E 4.1998 7.7919 119.3940 59.0404 29.6289 178.9531 131 L 4.3742 7.8849 118.1550 56.1880 42.9470 177.4899 132 L 4.6742 7.4804 119.2919 52.9245 42.5920 173.4441 133 P 4.4846 0.0000 0.0000 62.4296 32.3948 175.4603 134 M 3.2072 8.6811 115.8383 55.8237 29.6862 177.5922 135 A 4.0878 8.0661 119.8201 52.6873 19.1165 179.1681 136 F 4.4802 8.7149 126.0178 56.5932 37.8577 174.0649 137 G 4.0924 7.3193 112.7482 41.0000 0.0000 168.4703 138 P 4.1140 0.0000 0.0000 65.6733 31.2607 176.9102 139 S 4.1943 7.7599 116.3101 58.7815 62.6762 174.0710 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 8.30 4.50 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.77 4.18 0.00 1.77 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.48 7.81 3 V 7.61 4.30 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 0.97 0.00 0.00 0.90 0.00 0.00 4 G 8.62 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.10 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.06 4.48 1.97 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 1.28 0.96 0.90 0.00 0.00 7 E 9.04 4.18 0.00 2.13 1.87 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 2.33 2.44 0.00 8 D 8.64 4.41 0.00 2.76 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 9 R 7.86 3.88 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 10 Q 8.09 3.96 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 11 L 7.85 3.89 0.00 1.76 1.82 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.15 3.87 0.00 2.32 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 2.31 2.35 0.00 13 A 8.19 4.04 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 14 L 7.99 3.96 0.00 1.93 1.71 0.92 0.79 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 15 K 8.38 3.98 0.00 1.89 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 16 R 7.97 3.90 0.00 2.02 1.95 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 17 A 7.95 3.98 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 18 A 8.21 3.91 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 19 L 7.89 3.91 0.00 1.89 1.70 1.02 0.88 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 20 K 8.28 4.00 0.00 1.94 1.77 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 21 A 8.25 4.06 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 22 C 7.72 4.05 0.00 3.12 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.02 4.13 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 2.32 2.32 0.00 24 L 7.58 4.34 0.00 1.76 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.39 4.27 0.00 3.86 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 26 Y 8.81 4.56 0.00 3.06 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 27 S 7.60 4.54 0.00 3.92 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 28 P 0.00 4.21 0.00 1.54 1.69 0.00 2.91 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.99 0.00 29 Y 7.68 4.43 0.00 3.08 3.14 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 30 S 8.48 4.29 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.86 4.13 0.00 3.41 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.04 4.62 0.00 2.92 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 33 R 8.47 4.58 0.00 1.85 1.68 0.00 3.20 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 34 V 8.77 4.59 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 1.02 0.00 0.00 0.87 0.00 0.00 35 G 9.20 4.61 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 0.00 0.00 0.00 36 C 9.04 5.49 0.00 2.96 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 37 S 9.36 5.24 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.04 5.06 1.69 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 0.56 0.00 0.00 39 L 8.83 5.07 0.00 1.79 1.60 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.94 4.61 4.19 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 1.19 0.00 0.00 41 N 8.29 4.42 0.00 2.91 2.98 0.00 0.00 7.16 7.67 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 42 N 8.11 4.50 0.00 2.80 2.86 0.00 0.00 7.06 8.47 0.00 0.00 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 D 8.07 4.61 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.78 4.18 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 0.66 0.00 0.00 0.95 0.00 0.00 45 I 8.02 5.06 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.87 0.00 0.00 46 F 9.22 4.94 0.00 2.82 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 47 T 8.42 5.19 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 1.22 0.00 0.00 48 G 8.82 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 49 A 8.49 5.75 1.25 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 50 N 8.67 4.75 0.00 2.82 2.98 0.00 0.00 5.32 7.68 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 51 V 8.98 4.93 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 1.14 0.00 0.00 1.02 0.00 0.00 52 E 9.54 5.02 0.00 2.07 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 0.00 2.36 2.47 0.00 53 N 8.58 5.29 0.00 2.80 2.83 0.00 0.00 6.89 7.96 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 54 A 8.92 3.04 1.27 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 0.00 0.00 0.00 55 S 8.77 4.31 0.00 3.75 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 56 Y 8.21 4.48 0.00 2.95 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 57 S 8.21 4.17 0.00 3.85 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 58 N 8.53 4.68 0.00 2.92 2.88 0.00 0.00 7.04 7.55 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 59 C 7.97 4.61 0.00 2.90 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 60 I 8.67 4.50 1.87 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 1.21 0.96 0.84 0.00 0.00 61 C 8.70 4.63 0.00 2.87 3.06 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 62 A 8.70 4.07 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 63 E 8.10 3.91 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 64 R 7.80 3.63 0.00 1.79 1.55 0.00 2.83 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.50 0.00 65 S 8.00 4.05 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.11 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 67 M 7.98 3.63 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.42 0.00 68 I 7.72 3.68 1.96 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 1.65 0.92 0.89 0.00 0.00 69 Q 7.52 3.92 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 70 V 7.21 2.40 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.13 0.00 0.00 71 L 7.91 3.98 0.00 1.68 1.65 0.51 0.68 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 72 M 8.20 4.23 0.00 1.95 2.14 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 2.62 2.82 0.00 73 A 7.61 4.45 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 74 G 7.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.42 4.72 0.00 3.19 3.48 0.00 5.70 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.32 4.13 0.00 1.78 1.96 0.00 3.42 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 77 S 7.92 3.79 0.00 3.75 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 78 G 8.20 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 0.00 0.00 0.00 79 W 7.78 4.76 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 9.45 4.54 0.00 1.81 1.94 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.51 7.81 81 C 7.83 4.30 0.00 2.87 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 82 M 8.32 5.26 0.00 2.31 2.26 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 2.70 2.55 0.00 83 V 9.03 4.89 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 0.97 0.00 0.00 0.92 0.00 0.00 84 I 9.08 5.19 1.90 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 1.33 0.54 0.95 0.00 0.00 85 C 9.29 5.21 0.00 2.90 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 G 8.45 4.30 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 0.00 87 D 7.40 4.38 0.00 1.97 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 88 S 8.37 4.32 0.00 4.17 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 89 E 8.83 4.63 0.00 2.09 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 0.00 2.44 2.37 0.00 90 D 8.14 4.73 0.00 2.66 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 91 Q 7.11 4.66 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.90 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 92 C 8.92 4.40 0.00 2.90 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 93 V 8.08 4.27 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 0.91 0.00 0.00 1.12 0.00 0.00 94 S 8.56 4.72 0.00 4.05 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 95 P 0.00 4.92 0.00 2.28 2.25 0.00 3.42 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 96 C 8.56 4.57 0.00 3.20 3.14 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 97 G 8.66 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 0.00 0.00 0.00 98 V 7.78 3.66 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 1.14 0.00 0.00 0.97 0.00 0.00 99 C 8.11 4.33 0.00 3.21 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 0.00 100 R 8.12 4.06 0.00 2.09 2.06 0.00 3.18 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 101 Q 8.00 4.05 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 102 F 8.21 4.18 0.00 3.48 3.26 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 0.00 103 I 8.56 4.07 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.11 1.12 0.00 0.00 104 N 8.47 4.32 0.00 2.87 3.01 0.00 0.00 6.87 7.26 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 0.00 105 E 7.79 3.68 0.00 1.50 1.24 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 1.47 1.47 0.00 106 F 7.83 4.45 0.00 2.08 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 0.00 0.00 0.00 107 V 7.04 4.18 1.66 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 -0.29 0.00 0.00 0.85 0.00 0.00 108 V 7.83 3.93 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 0.82 0.00 0.00 1.02 0.00 0.00 109 K 8.68 3.94 0.00 1.80 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.43 7.81 110 D 7.99 4.71 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.36 4.40 0.00 3.27 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 0.00 112 P 0.00 4.85 0.00 1.99 2.05 0.00 3.30 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 113 I 8.99 4.54 2.03 0.00 0.00 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 1.31 0.93 0.97 0.00 0.00 114 V 8.97 4.53 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 0.84 0.00 0.00 0.88 0.00 0.00 115 M 9.18 5.17 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 116 L 9.40 5.53 0.00 1.50 1.51 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.47 5.14 0.00 3.06 2.99 0.00 0.00 5.64 7.64 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 0.00 118 S 9.19 4.96 0.00 3.85 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 0.00 119 T 8.77 3.94 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 0.00 120 G 7.42 3.32 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 0.00 121 S 7.66 4.11 0.00 3.88 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 0.00 122 R 8.54 4.74 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 123 S 8.20 5.34 0.00 3.83 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 0.00 124 K 8.38 4.62 0.00 1.70 1.69 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 125 V 8.42 4.86 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 0.78 0.00 0.00 0.92 0.00 0.00 126 M 8.79 5.16 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 127 T 9.96 4.82 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 1.28 0.00 0.00 128 M 9.03 4.22 0.00 2.44 2.36 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 2.67 2.67 0.00 129 G 8.36 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 0.00 130 E 7.79 4.20 0.00 2.11 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 2.36 2.37 0.00 131 L 7.88 4.37 0.00 1.71 1.79 1.00 0.97 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 0.00 132 L 7.48 4.67 0.00 1.61 1.56 0.97 1.03 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 0.00 133 P 0.00 4.48 0.00 2.10 1.98 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 134 M 8.68 3.21 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 135 A 8.07 4.09 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 0.00 136 F 8.71 4.48 0.00 2.93 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 0.00 137 G 7.32 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 0.00 138 P 0.00 4.11 0.00 1.84 1.94 0.00 3.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 139 S 7.76 4.19 0.00 3.76 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