NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4039 8.2893 120.3512 55.3856 33.2103 174.3745 2 E 4.8530 8.5874 123.7226 54.0207 32.8636 173.5275 3 A 4.8078 8.6723 122.0011 49.9723 22.9700 176.4773 4 K 5.0007 8.9309 118.7637 54.3740 35.6634 173.9494 5 A 4.4220 8.3456 118.0901 51.2637 20.6491 173.0054 6 I 3.0944 7.7139 121.2347 60.6750 37.2783 173.3943 7 A 4.5866 8.9183 128.6361 50.2954 20.0132 175.4268 8 R 4.3230 8.4095 121.7181 57.0686 31.3404 176.0668 9 Y 3.5718 8.2391 116.8166 59.3520 34.9474 171.5607 10 V 3.4396 8.2407 121.6828 63.9598 32.2145 175.1970 11 R 3.8841 7.7271 117.3187 56.8750 27.8383 174.6804 12 I 4.6499 6.9610 114.7389 58.9307 41.9320 173.6134 13 S 4.3167 8.5998 118.5716 57.4702 62.7208 172.5835 14 P 4.0337 0.0000 0.0000 66.0051 30.9452 177.9685 15 R 3.8719 8.0006 117.8115 59.7841 30.2517 178.6119 16 K 4.1288 8.2787 118.2579 59.7616 32.1226 179.8059 17 V 3.8602 7.7771 111.9907 63.8964 31.5402 178.4919 18 R 3.9246 8.6754 118.6774 59.6504 29.7478 178.5135 19 L 3.9468 7.2225 115.8471 58.0909 41.9283 179.9079 20 V 3.8177 7.6884 118.2099 64.6239 31.7480 177.9809 21 V 3.5846 8.1752 119.3843 66.2572 31.3795 177.7278 22 D 4.4404 8.5263 118.4800 57.1816 40.3432 178.5221 23 L 4.1692 8.1716 121.0398 56.9573 41.7765 177.4394 24 I 4.4033 7.5836 109.8822 60.0480 38.0927 174.8966 25 R 4.0817 7.5379 121.5704 57.9189 30.0784 176.4828 26 G 4.0554 8.7123 112.9058 45.9708 0.0000 172.9200 27 K 4.7228 7.5212 117.7687 53.4474 34.9322 175.7751 28 S 4.1411 8.6319 116.1370 58.9474 64.3133 175.5176 29 L 4.1945 8.8239 126.6466 58.4015 41.5203 178.8814 30 E 3.9044 8.1651 118.9188 59.1404 29.7312 177.9240 31 E 3.9129 8.8311 119.2530 59.2692 29.7783 178.5419 32 A 3.9904 8.4782 121.0130 55.5291 18.3227 179.8719 33 R 3.8685 7.8884 115.8909 59.3956 29.9357 178.9239 34 N 4.4007 7.6880 114.8537 56.8921 38.9327 176.8532 35 I 3.7948 8.3312 121.0676 64.5817 37.2159 177.9889 36 L 3.9410 8.2153 119.1179 58.2862 41.4511 179.5661 37 R 3.7620 7.7490 117.1771 58.9098 29.8418 176.7091 38 Y 4.6692 7.8168 113.6429 57.8274 38.7436 175.1114 39 T 4.4464 7.7000 117.3328 62.4808 69.6660 175.8150 40 N 4.7093 8.4980 126.8254 51.3389 37.6762 173.3470 41 K 4.5709 7.6546 118.8623 54.5025 36.0399 176.8014 42 R 3.8846 9.0030 123.4266 59.6946 30.2934 178.6311 43 G 4.1019 8.3628 103.7398 48.1149 0.0000 174.2773 44 A 3.9418 8.4641 122.6082 56.1187 18.2405 178.8753 45 Y 3.6827 8.1822 111.7456 60.8242 39.1156 179.0713 46 F 4.0180 7.6183 116.7841 60.8689 39.8336 177.6562 47 V 3.5587 8.3205 117.1614 66.2142 31.4045 177.6655 48 A 3.8763 8.1354 120.6434 55.3233 18.1312 179.1204 49 K 3.5864 7.8920 117.7919 59.8948 32.0837 179.2458 50 V 3.5866 7.5993 118.6192 64.4326 31.4339 177.6726 51 L 3.8435 8.3408 121.4958 58.2247 41.8229 178.3931 52 E 3.8381 8.6499 119.1607 59.3520 29.5971 178.4285 53 S 4.0046 8.2109 112.7592 61.6123 62.2798 176.4119 54 A 3.8645 8.2831 123.2726 55.0029 18.1151 179.0155 55 A 3.9068 7.8160 118.5396 56.1384 18.4822 178.7983 56 A 3.7363 8.5552 116.0392 55.7929 18.0158 179.7237 57 N 4.0855 8.1346 112.2757 55.9532 39.2445 176.5976 58 A 3.9953 8.7323 120.7636 56.9066 18.3623 179.3833 59 V 3.5647 8.7461 114.7896 65.5397 31.4593 177.8181 60 N 4.1766 8.2569 118.5527 56.8102 39.1792 176.2368 61 N 4.7871 8.8269 115.6319 53.4125 39.8623 175.0426 62 H 4.7394 8.1509 117.2172 57.3187 29.9512 174.7448 63 D 4.3589 7.4449 113.0972 55.0866 37.5420 172.8595 64 M 4.4632 8.2034 127.8013 54.8177 35.0517 174.6391 65 L 3.8367 8.1556 118.3556 54.6268 38.2825 173.7428 66 E 3.8877 8.7960 124.4979 59.3795 29.6559 179.2476 67 D 4.4880 8.1604 116.4611 56.8157 41.1446 177.0524 68 R 4.6859 8.7169 116.9939 55.4899 31.5747 175.6075 69 L 5.5447 7.8326 119.1855 54.3594 43.8384 175.3015 70 Y 5.2668 9.0656 118.0314 56.0451 42.3460 174.1050 71 V 4.1555 7.8819 119.0869 61.3648 31.0257 176.7655 72 K 3.4674 8.0101 126.9993 58.5473 32.0199 175.8182 73 A 4.9295 8.1297 119.1770 50.6433 23.2675 173.7308 74 A 4.8084 7.8024 118.7243 51.1169 22.2771 175.5279 75 Y 4.7734 7.6427 116.7711 56.5698 41.5434 172.7265 76 V 4.9989 8.7508 120.6613 60.1823 34.0334 174.4177 77 D 5.1171 8.6664 122.5573 52.2110 44.2711 175.2809 78 E 4.2071 8.8358 122.5660 56.4427 30.6660 175.7404 79 G 4.1533 8.4712 112.5774 43.1414 0.0000 169.9937 80 P 4.3068 0.0000 0.0000 62.6855 31.0487 176.0061 81 A 4.1446 8.4960 125.3839 52.1279 19.4450 176.3327 82 L 4.4791 9.3875 122.1669 53.3848 43.3668 175.9171 83 K 4.8177 8.6163 124.3116 55.3295 33.3224 176.5262 84 R 4.7121 9.1775 124.1655 53.9255 34.1653 175.1241 85 V 4.1001 8.5000 123.2299 62.9162 32.4932 174.7319 86 L 4.6216 9.0295 130.8413 52.6440 43.5447 173.8156 87 P 4.7407 0.0000 0.0000 62.7711 32.2029 175.7084 88 R 4.7859 8.3470 121.5139 54.0647 34.2184 174.1048 89 A 4.2283 8.6510 124.3736 53.1729 18.8131 177.3757 90 R 4.2237 9.4295 115.6656 56.8913 28.1172 176.6831 91 G 3.9081 7.3345 101.3659 46.8600 0.0000 175.9803 92 R 3.8168 7.9020 119.7505 58.5073 30.6526 173.4397 93 A 3.6418 7.9502 129.3960 52.0820 15.0832 176.5479 94 D 4.9654 9.1498 122.3302 53.5259 44.0474 175.4661 95 I 4.8862 8.0070 112.1573 59.4023 39.7840 174.7708 96 I 4.1617 9.0302 128.6033 59.8979 39.6677 174.7955 97 K 4.8929 8.4771 128.6546 54.5679 32.8507 176.1773 98 K 4.0841 8.8783 126.2850 56.6678 32.7464 177.6630 99 R 4.7130 8.4338 124.6353 55.6822 32.2478 175.8631 100 T 4.6041 8.0635 113.2075 61.0982 70.8429 172.7079 101 S 5.0373 8.7146 123.6565 57.3680 66.5697 172.9505 102 H 5.1247 8.8554 118.6656 54.1483 30.9171 172.6853 103 I 4.4351 8.4147 124.8049 60.9088 38.8398 175.3491 104 T 4.6245 8.4633 121.9073 61.6471 72.4586 173.0410 105 V 4.4676 8.1855 125.2518 60.8676 34.9354 173.7391 106 I 4.7077 8.5482 122.1058 59.1228 39.8367 174.5678 107 L 4.7089 9.0558 127.8674 53.4364 43.6510 176.0133 108 G 4.5883 8.3031 108.8703 44.5405 0.0000 170.7927 109 E 4.8377 8.7519 118.7150 54.9268 30.9304 175.6328 110 K 3.8956 9.6025 127.1169 57.6065 31.6612 178.7984 111 H 4.8215 8.4630 118.5425 54.6556 31.9662 172.3210 112 G 4.1789 7.8773 119.7883 46.3798 0.0000 173.4872 113 K 4.2021 7.8185 127.4595 54.3972 32.8505 174.7263 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 8.29 4.40 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 2 E 8.59 4.85 0.00 2.11 1.85 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 2.13 2.34 0.00 3 A 8.67 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.93 5.00 0.00 1.66 1.72 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.21 7.81 5 A 8.35 4.42 1.20 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 0.00 0.00 0.00 6 I 7.71 3.09 1.82 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 1.29 0.41 0.84 0.00 0.00 7 A 8.92 4.59 1.20 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 0.00 0.00 0.00 8 R 8.41 4.32 0.00 1.89 1.35 0.00 3.34 0.00 0.00 2.97 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.54 0.00 9 Y 8.24 3.57 0.00 3.19 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 10 V 8.24 3.44 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 -0.27 0.00 0.00 0.90 0.00 0.00 11 R 7.73 3.88 0.00 2.09 2.01 0.00 3.43 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 12 I 6.96 4.65 1.83 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.78 0.00 0.00 13 S 8.60 4.32 0.00 3.90 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 14 P 0.00 4.03 0.00 2.19 2.03 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 15 R 8.00 3.87 0.00 1.80 2.00 0.00 3.24 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 16 K 8.28 4.13 0.00 2.13 1.88 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.54 7.81 17 V 7.78 3.86 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 0.87 0.00 0.00 0.96 0.00 0.00 18 R 8.68 3.92 0.00 1.99 2.04 0.00 3.34 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 19 L 7.22 3.95 0.00 1.99 1.79 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.69 3.82 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 21 V 8.18 3.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 22 D 8.53 4.44 0.00 2.93 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 23 L 8.17 4.17 0.00 1.84 1.72 0.94 0.95 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 24 I 7.58 4.40 1.88 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 1.18 0.86 0.92 0.00 0.00 25 R 7.54 4.08 0.00 1.90 1.91 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 26 G 8.71 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 27 K 7.52 4.72 0.00 1.87 1.89 0.00 2.00 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 28 S 8.63 4.14 0.00 4.08 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 29 L 8.82 4.19 0.00 1.85 1.83 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.17 3.90 0.00 2.10 1.94 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 2.40 2.38 0.00 31 E 8.83 3.91 0.00 2.12 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 2.34 2.36 0.00 32 A 8.48 3.99 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 33 R 7.89 3.87 0.00 2.07 1.99 0.00 3.42 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 1.64 1.71 0.00 34 N 7.69 4.40 0.00 2.85 2.98 0.00 0.00 7.11 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 35 I 8.33 3.79 2.04 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 1.56 1.13 0.95 0.00 0.00 36 L 8.22 3.94 0.00 1.81 1.73 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.75 3.76 0.00 1.86 2.17 0.00 3.02 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.00 38 Y 7.82 4.67 0.00 3.02 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 39 T 7.70 4.45 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 1.24 0.00 0.00 40 N 8.50 4.71 0.00 2.69 2.77 0.00 0.00 7.00 6.68 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 41 K 7.65 4.57 0.00 1.81 1.66 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.38 7.81 42 R 9.00 3.88 0.00 1.86 2.02 0.00 3.24 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.68 0.00 43 G 8.36 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.46 3.94 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 45 Y 8.18 3.68 0.00 2.92 2.45 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 46 F 7.62 4.02 0.00 3.18 3.04 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 0.00 0.00 0.00 47 V 8.32 3.56 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 0.84 0.00 0.00 0.96 0.00 0.00 48 A 8.14 3.88 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 49 K 7.89 3.59 0.00 1.42 1.74 0.00 1.23 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.32 1.26 7.81 50 V 7.60 3.59 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 0.90 0.00 0.00 0.85 0.00 0.00 51 L 8.34 3.84 0.00 1.76 1.86 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.65 3.84 0.00 2.15 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 2.27 2.34 0.00 53 S 8.21 4.00 0.00 3.91 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 54 A 8.28 3.86 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 55 A 7.82 3.91 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 56 A 8.56 3.74 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 57 N 8.13 4.09 0.00 2.96 2.89 0.00 0.00 7.07 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 58 A 8.73 4.00 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 59 V 8.75 3.56 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 60 N 8.26 4.18 0.00 2.92 2.85 0.00 0.00 7.29 7.24 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 61 N 8.83 4.79 0.00 2.59 2.57 0.00 0.00 6.87 8.04 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 62 H 8.15 4.74 0.00 3.18 3.26 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.44 4.36 0.00 2.82 2.99 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 64 M 8.20 4.46 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.70 0.00 65 L 8.16 3.84 0.00 1.81 1.99 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.80 3.89 0.00 2.00 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 2.40 2.38 0.00 67 D 8.16 4.49 0.00 2.70 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 68 R 8.72 4.69 0.00 1.69 1.89 0.00 3.03 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 69 L 7.83 5.54 0.00 1.91 1.89 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.07 5.27 0.00 3.08 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 71 V 7.88 4.16 2.21 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 0.82 0.00 0.00 1.00 0.00 0.00 72 K 8.01 3.47 0.00 1.36 1.78 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.48 7.81 73 A 8.13 4.93 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 74 A 7.80 4.81 1.13 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 0.00 0.00 75 Y 7.64 4.77 0.00 2.94 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 76 V 8.75 5.00 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 0.82 0.00 0.00 0.94 0.00 0.00 77 D 8.67 5.12 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.84 4.21 0.00 1.93 1.81 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 2.26 2.32 0.00 79 G 8.47 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.31 0.00 2.26 2.19 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 81 A 8.50 4.14 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 82 L 9.39 4.48 0.00 1.82 1.62 0.94 0.94 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 83 K 8.62 4.82 0.00 1.64 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 84 R 9.18 4.71 0.00 1.63 1.76 0.00 3.29 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 85 V 8.50 4.10 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 0.73 0.00 0.00 0.93 0.00 0.00 86 L 9.03 4.62 0.00 1.74 1.52 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.74 0.00 1.98 1.96 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 88 R 8.35 4.79 0.00 1.92 1.70 0.00 3.24 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 89 A 8.65 4.23 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 90 R 9.43 4.22 0.00 1.92 1.99 0.00 3.37 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 G 7.33 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 92 R 7.90 3.82 0.00 2.01 1.95 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 93 A 7.95 3.64 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 94 D 9.15 4.97 0.00 2.60 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 95 I 8.01 4.89 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 1.23 0.66 0.91 0.00 0.00 96 I 9.03 4.16 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 1.23 0.77 0.94 0.00 0.00 97 K 8.48 4.89 0.00 1.67 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.45 7.81 98 K 8.88 4.08 0.00 1.68 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 99 R 8.43 4.71 0.00 1.68 1.96 0.00 3.18 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 100 T 8.06 4.60 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 1.30 0.00 0.00 101 S 8.71 5.04 0.00 3.69 3.67 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 0.00 102 H 8.86 5.12 0.00 3.08 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.41 4.44 1.83 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 1.19 0.75 0.87 0.00 0.00 104 T 8.46 4.62 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 0.50 0.00 0.00 105 V 8.19 4.47 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 0.94 0.00 0.00 0.83 0.00 0.00 106 I 8.55 4.71 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.82 0.00 0.00 107 L 9.06 4.71 0.00 1.68 1.55 0.81 0.58 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 0.00 108 G 8.30 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.75 4.84 0.00 1.91 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 2.32 0.00 110 K 9.60 3.90 0.00 1.62 1.55 0.00 0.86 0.00 0.00 0.83 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 1.31 7.81 111 H 8.46 4.82 0.00 3.19 3.19 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.88 4.18 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 0.00 0.00 0.00 113 K 7.82 4.20 0.00 1.72 1.50 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.98 7.81