NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0461 8.0544 120.3104 61.7335 32.7415 174.0692 2 H 4.5971 8.6471 121.7293 54.0110 31.2016 172.4646 3 L 4.8384 7.7724 126.4729 52.8271 45.0899 176.6385 4 T 4.1588 8.7374 113.4541 61.1046 70.9822 175.6174 5 A 3.8895 8.5647 123.4947 55.3651 18.3013 179.8613 6 A 3.9158 7.9407 118.5253 55.4628 18.5388 179.5375 7 E 3.8541 8.0929 116.9116 59.5563 29.4609 179.7444 8 K 3.8421 8.1575 118.5961 59.6134 31.9860 179.6282 9 S 4.0878 8.2642 115.2247 61.3740 62.5476 176.5127 10 A 4.0160 8.0990 123.5482 55.1293 18.0572 179.7263 11 I 3.2132 7.6306 118.1425 64.5985 37.3288 178.8213 12 L 4.1782 8.2000 119.8955 57.5172 41.1941 179.2749 13 D 4.4309 8.2012 118.6643 57.4490 41.0973 178.3122 14 L 4.2140 7.9237 120.7277 57.9495 42.2119 178.6665 15 W 4.4047 8.9648 128.6591 60.3947 30.4174 177.8123 16 G 3.8525 8.1796 103.8521 46.3260 0.0000 174.5344 17 K 4.3854 8.0451 119.1223 55.2615 33.4192 176.2142 18 V 3.6858 6.6703 119.7157 61.6620 32.4490 175.8370 19 N 4.4712 8.1941 124.8735 52.2799 38.8777 175.7387 20 V 3.4342 8.0221 128.3977 65.8848 31.7205 177.8397 21 G 3.5498 7.9337 104.9825 47.6215 0.0000 175.2084 22 E 3.8392 8.3439 121.6336 59.0504 29.6440 178.8378 23 I 3.6641 7.7744 120.0850 64.2728 37.1275 178.6553 24 G 3.5511 8.2213 106.2883 47.7575 0.0000 175.5852 25 A 3.9700 8.1706 123.8405 54.7745 18.3201 179.4055 26 E 3.8435 8.2318 117.6224 59.1777 29.6565 178.9186 27 A 3.9265 8.3302 121.2855 55.1479 18.5046 179.4149 28 L 3.9690 8.1153 119.1035 58.0128 42.1105 179.2907 29 G 3.5937 8.0922 105.7262 48.0506 0.0000 175.8865 30 R 3.9002 8.3180 121.4072 58.4827 30.0333 178.7211 31 L 4.0752 8.1119 120.3585 58.5373 41.8492 179.2858 32 L 4.0982 7.8286 119.9111 56.8865 41.2532 179.7218 33 V 3.5621 7.4956 117.7298 65.8665 31.6515 178.0063 34 V 3.5696 7.7832 117.0867 64.2439 32.7723 175.5937 35 Y 4.0661 7.3135 115.7933 54.3783 38.0706 174.0937 36 P 4.4833 0.0000 0.0000 64.0663 31.8910 177.7970 37 W 4.3932 8.0953 115.5558 59.3373 27.8479 178.0242 38 T 4.2972 7.5394 110.7566 64.4278 68.0638 176.3332 39 Q 4.2891 8.1646 121.3459 58.7785 28.3993 178.3327 40 R 3.7662 7.7598 119.2486 59.3462 30.0392 177.9933 41 F 4.1525 7.6986 115.3650 58.5354 39.1657 175.8615 42 F 4.5015 7.8538 117.8223 56.6645 40.0534 176.9606 43 E 3.9926 8.4909 123.3710 59.5033 29.3146 179.6898 44 K 4.1730 7.9545 116.0373 59.2781 32.6988 178.0071 45 F 4.5123 8.2109 118.3782 59.1695 39.4344 173.9400 46 G 3.8406 7.4913 104.9105 43.9855 0.0000 172.4683 47 D 4.4449 8.8187 122.0576 54.7261 41.2859 176.9309 48 L 4.8141 8.4812 126.9867 54.6993 42.4729 177.2060 49 S 4.5708 8.8015 112.7739 58.7453 63.6314 174.2688 50 S 4.6698 7.5012 115.3654 55.8433 67.1526 174.3481 51 A 3.9363 8.5529 124.6568 55.4172 17.8998 179.8676 52 S 4.0050 8.0759 109.7773 61.6051 62.5871 175.9308 53 A 4.1356 8.0640 123.1326 55.2851 17.6373 179.5850 54 I 3.6910 7.8997 118.3935 64.7521 37.0279 177.9577 55 M 4.3447 8.0381 116.6778 56.1800 32.1713 177.4296 56 S 4.6776 7.4848 113.3473 57.1797 64.7156 174.2697 57 N 4.3766 7.4657 121.7582 53.5110 39.7804 175.2586 58 A 3.9509 8.4970 129.7617 55.4256 18.5656 179.1572 59 H 3.9388 7.8128 115.8346 57.9895 28.6681 177.8356 60 V 3.6233 8.0372 120.2611 65.8991 31.3555 178.3073 61 K 3.9242 7.7992 117.8711 59.4941 31.4030 179.5899 62 S 4.1047 8.0971 114.6592 61.6674 62.9006 175.9923 63 H 4.3233 8.7345 122.5450 58.7512 29.6356 177.3199 64 G 3.6519 8.3645 107.6001 47.9139 0.0000 175.4627 65 A 4.0305 7.9497 123.1514 54.6585 18.3781 179.6161 66 K 3.8831 8.0755 118.2455 59.6059 32.2334 179.2090 67 V 3.6528 8.0410 118.7718 66.1596 31.4138 178.0816 68 L 4.2480 8.1921 118.3895 57.5152 41.4701 179.2784 69 A 4.1503 8.4686 121.3647 55.0780 18.2796 179.6369 70 S 4.1029 8.2776 111.8669 61.4484 62.6461 176.0272 71 F 4.2630 8.6768 123.4961 61.5809 38.9035 177.1699 72 S 4.1010 8.5205 113.7297 61.7888 63.0093 176.2166 73 E 4.1874 8.4773 121.2876 59.3959 29.0972 179.5574 74 G 3.6815 8.0173 105.6775 47.8499 0.0000 175.4136 75 L 3.7972 7.1996 119.0004 56.2792 41.6263 178.5447 76 K 4.2489 7.5975 116.9930 56.7289 33.0674 176.1085 77 H 4.9539 8.1940 117.6716 55.0771 29.6889 175.2066 78 L 3.9601 7.9873 119.4598 57.1058 41.8839 178.4131 79 Q 4.3980 7.8423 115.6644 55.9163 29.8137 175.5547 80 D 4.7436 8.0130 118.4225 52.0683 41.9591 176.3060 81 L 4.1296 7.9472 123.1182 57.8885 41.9641 179.2299 82 K 3.9989 8.1089 117.1309 59.5565 32.2782 179.1090 83 G 3.6735 8.1012 105.2195 48.1014 0.0000 175.7608 84 T 3.6794 7.6528 117.2252 65.7780 68.6976 175.7097 85 F 4.5826 8.0757 116.9367 57.1212 39.1898 177.4383 86 A 3.9973 7.5924 123.2081 55.3139 18.1593 180.3618 87 K 3.9156 7.9127 117.5189 59.6283 32.3160 178.9643 88 L 4.1279 7.8844 118.8570 57.4844 41.5306 179.2585 89 S 4.1454 8.3989 115.1092 60.8687 62.3593 175.7699 90 E 3.8769 8.1891 121.3037 59.4382 29.2419 179.2570 91 L 3.8738 7.8350 119.8735 58.7531 42.2059 178.8730 92 H 4.3095 8.6806 116.2377 58.3656 28.4399 177.1052 93 C 4.4620 8.0441 119.9478 61.4116 28.2155 175.8221 94 D 4.3414 7.9034 119.6764 56.6417 40.9576 177.8712 95 K 4.1679 8.0090 118.6004 58.0599 32.7626 177.1066 96 L 4.4312 7.8100 116.1641 54.4361 42.5406 176.0655 97 H 4.3542 7.6091 114.6216 56.6082 26.7212 175.2952 98 V 3.6719 8.0234 118.9501 62.2222 32.1434 174.9925 99 D 4.3039 8.6445 127.4578 53.2721 42.0094 175.0893 100 P 3.5650 0.0000 0.0000 65.3790 31.7733 177.8636 101 E 3.9181 8.1323 119.4360 59.4710 29.3181 178.5888 102 N 4.3554 8.1392 116.3656 56.0557 38.4929 177.3033 103 F 4.4900 7.3839 119.0330 60.7866 38.9261 177.9065 104 R 4.0397 8.0393 117.1957 59.1112 29.9745 178.8523 105 L 3.8964 7.9667 118.8762 57.7433 41.5953 179.3728 106 L 4.1191 8.1410 120.4169 57.9384 42.0003 179.0845 107 G 3.7178 8.1963 105.8185 48.1270 0.0000 175.4422 108 N 4.5112 8.4183 118.9556 56.1604 38.4100 177.5066 109 M 4.1486 8.1993 120.4046 58.1951 31.9435 178.7396 110 I 3.5800 7.8306 120.1307 64.2184 37.2502 178.4845 111 V 3.4521 7.7469 119.0017 66.1732 31.3981 178.1498 112 I 3.6239 7.8355 119.1653 64.2436 37.0043 178.2896 113 A 3.9565 8.1237 121.7850 55.0522 18.1436 179.6656 114 L 3.6615 7.7666 117.3250 57.7347 41.3591 179.5787 115 A 3.6896 6.9055 119.3753 55.2179 18.3357 178.7725 116 H 4.1602 7.9546 115.6737 59.4358 30.0581 176.4790 117 H 4.4924 7.7620 114.8290 56.0338 30.4612 174.8016 118 H 5.0004 8.2060 118.1674 53.9190 29.4581 172.8807 119 P 4.3664 0.0000 0.0000 66.0940 31.8102 178.5062 120 S 4.3166 8.1171 113.8931 61.1894 62.9126 175.3536 121 E 4.1770 8.1916 118.3176 58.5017 30.1542 177.1662 122 F 4.5001 7.9444 123.5192 57.1473 38.0715 174.9206 123 T 4.2170 7.2590 115.1363 60.6505 71.4734 173.4958 124 P 4.1948 0.0000 0.0000 65.9895 31.3929 178.8067 125 C 4.1555 7.9489 114.9821 63.0867 28.1075 176.1784 126 T 3.9081 7.8162 117.3814 66.4427 67.9623 176.4020 127 Q 3.4291 7.9082 121.7195 59.1238 28.8854 178.4689 128 A 3.9963 8.0019 121.2761 55.1286 18.3444 179.4646 129 A 3.8792 7.8722 118.6787 55.4590 18.4033 179.9301 130 F 4.0825 8.3333 116.2829 60.7576 38.9511 177.9115 131 Q 4.1382 8.7507 118.2494 58.9664 28.4778 179.0583 132 K 4.0490 8.0123 119.5173 59.3227 32.0149 179.7861 133 V 3.6599 7.7392 119.4203 64.7497 31.5061 178.6311 134 T 4.0816 8.5039 110.6231 64.5545 68.5309 176.4743 135 A 4.1255 8.2521 123.8561 54.8348 18.4245 179.8049 136 G 3.5065 8.2409 104.3146 47.9467 0.0000 176.1369 137 V 3.2159 7.9827 120.6880 65.3928 31.6216 177.9289 138 A 3.8775 8.0736 120.6037 55.1981 18.0215 179.1103 139 N 4.3297 8.2402 114.4300 56.7850 39.3885 176.6428 140 A 4.1097 8.0181 122.1853 55.1812 18.5476 179.6650 141 L 3.7167 7.8832 117.1578 56.9439 41.4250 178.5345 142 A 4.7355 7.6295 118.6796 52.7532 19.1164 178.3224 143 H 4.0561 7.8684 117.4975 59.1229 29.6983 177.0639 144 K 4.0485 7.6418 118.4952 58.6847 32.0651 178.2948 145 Y 4.5346 7.9011 117.5230 60.2016 37.6083 175.3338 146 H 4.6655 7.8935 121.2947 55.8627 29.0232 174.7288 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 V 8.05 4.05 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 0.89 0.00 0.00 0.93 0.00 0.00 2 H 8.65 4.60 0.00 3.16 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.77 4.84 0.00 1.50 1.42 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.74 4.16 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 1.23 0.00 0.00 5 A 8.56 3.89 1.32 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 6 A 7.94 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.09 3.85 0.00 2.11 1.92 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 2.29 2.32 0.00 8 K 8.16 3.84 0.00 1.86 1.77 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.58 7.81 9 S 8.26 4.09 0.00 3.99 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 10 A 8.10 4.02 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 11 I 7.63 3.21 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.10 0.48 0.00 0.00 12 L 8.20 4.18 0.00 1.69 1.76 0.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.20 4.43 0.00 2.79 2.81 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 14 L 7.92 4.21 0.00 2.00 2.15 0.88 1.14 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 15 W 8.96 4.40 0.00 3.83 3.22 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 16 G 8.18 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 17 K 8.05 4.39 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.58 7.81 18 V 6.67 3.69 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 -0.16 0.00 0.00 0.60 0.00 0.00 19 N 8.19 4.47 0.00 2.68 2.56 0.00 0.00 6.81 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.02 3.43 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 1.15 0.00 0.00 0.74 0.00 0.00 21 G 7.93 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 22 E 8.34 3.84 0.00 2.04 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 2.05 2.22 0.00 23 I 7.77 3.66 1.82 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.43 0.81 0.00 0.00 24 G 8.22 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 25 A 8.17 3.97 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 26 E 8.23 3.84 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 A 8.33 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.12 3.97 0.00 1.75 1.64 0.78 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.09 3.59 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 30 R 8.32 3.90 0.00 1.87 1.96 0.00 3.13 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 31 L 8.11 4.08 0.00 1.89 1.87 0.97 0.69 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 32 L 7.83 4.10 0.00 1.86 1.69 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.50 3.56 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 0.72 0.00 0.00 0.91 0.00 0.00 34 V 7.78 3.57 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 35 Y 7.31 4.07 0.00 2.60 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 36 P 0.00 4.48 0.00 2.22 2.09 0.00 3.87 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 37 W 8.10 4.39 0.00 3.60 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 38 T 7.54 4.30 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 1.05 0.00 0.00 39 Q 8.16 4.29 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 40 R 7.76 3.77 0.00 1.72 1.64 0.00 3.12 0.00 0.00 2.91 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 41 F 7.70 4.15 0.00 2.45 2.31 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 42 F 7.85 4.50 0.00 2.74 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 0.00 0.00 0.00 43 E 8.49 3.99 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 44 K 7.95 4.17 0.00 1.94 1.99 0.00 1.83 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.84 7.81 45 F 8.21 4.51 0.00 3.15 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 46 G 7.49 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 0.00 0.00 0.00 47 D 8.82 4.44 0.00 2.66 2.64 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 48 L 8.48 4.81 0.00 1.67 1.65 1.01 1.07 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 49 S 8.80 4.57 0.00 3.95 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 50 S 7.50 4.67 0.00 4.00 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 51 A 8.55 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.08 4.00 0.00 3.86 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 53 A 8.06 4.14 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 54 I 7.90 3.69 1.99 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 1.54 1.17 0.95 0.00 0.00 55 M 8.04 4.34 0.00 1.98 2.09 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 2.60 2.82 0.00 56 S 7.48 4.68 0.00 3.93 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 57 N 7.47 4.38 0.00 3.01 2.87 0.00 0.00 6.95 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 58 A 8.50 3.95 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 59 H 7.81 3.94 0.00 2.53 1.84 0.00 6.11 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.04 3.62 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 1.08 0.00 0.00 1.07 0.00 0.00 61 K 7.80 3.92 0.00 1.94 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.53 7.81 62 S 8.10 4.10 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.73 4.32 0.00 3.37 3.47 0.00 5.79 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 64 G 8.36 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 65 A 7.95 4.03 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 66 K 8.08 3.88 0.00 1.87 1.96 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.49 7.81 67 V 8.04 3.65 2.26 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 1.05 0.00 0.00 0.97 0.00 0.00 68 L 8.19 4.25 0.00 1.91 1.87 1.10 0.69 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 69 A 8.47 4.15 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 70 S 8.28 4.10 0.00 4.03 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 71 F 8.68 4.26 0.00 3.35 3.37 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 72 S 8.52 4.10 0.00 4.28 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 0.00 73 E 8.48 4.19 0.00 2.20 1.89 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 2.34 2.45 0.00 74 G 8.02 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 75 L 7.20 3.80 0.00 1.50 1.40 -0.44 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.60 4.25 0.00 1.74 1.60 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 77 H 8.19 4.95 0.00 3.08 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.99 3.96 0.00 1.54 1.62 0.77 0.82 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 79 Q 7.84 4.40 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.42 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 80 D 8.01 4.74 0.00 2.67 2.47 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 0.00 0.00 0.00 0.00 81 L 7.95 4.13 0.00 1.74 1.78 0.82 1.08 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 82 K 8.11 4.00 0.00 1.66 1.78 0.00 1.33 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.46 7.81 83 G 8.10 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 0.00 0.00 0.00 84 T 7.65 3.68 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 0.55 0.00 0.00 85 F 8.08 4.58 0.00 3.10 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 86 A 7.59 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 87 K 7.91 3.92 0.00 1.85 1.78 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.59 7.81 88 L 7.88 4.13 0.00 2.01 1.81 1.09 0.93 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 89 S 8.40 4.15 0.00 4.00 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 90 E 8.19 3.88 0.00 2.23 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 2.31 2.54 0.00 91 L 7.84 3.87 0.00 1.78 1.87 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.68 4.31 0.00 3.30 3.64 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.04 4.46 0.00 2.71 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 0.00 0.00 0.00 0.00 94 D 7.90 4.34 0.00 2.80 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 95 K 8.01 4.17 0.00 1.69 2.02 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.45 7.81 96 L 7.81 4.43 0.00 1.85 1.74 0.77 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.61 4.35 0.00 3.41 3.48 0.00 5.65 0.00 0.00 0.00 0.00 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.02 3.67 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 0.21 0.00 0.00 0.34 0.00 0.00 99 D 8.64 4.30 0.00 2.66 2.47 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 0.00 0.00 0.00 0.00 100 P 0.00 3.56 0.00 2.34 2.58 0.00 3.50 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 101 E 8.13 3.92 0.00 2.04 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 2.29 2.38 0.00 102 N 8.14 4.36 0.00 2.66 2.81 0.00 0.00 6.97 7.61 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 0.00 103 F 7.38 4.49 0.00 3.20 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 0.00 104 R 8.04 4.04 0.00 2.03 2.01 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 105 L 7.97 3.90 0.00 1.62 1.23 0.37 -0.04 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 0.00 106 L 8.14 4.12 0.00 1.84 1.74 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.20 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 0.00 108 N 8.42 4.51 0.00 2.97 2.96 0.00 0.00 7.07 7.37 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 0.00 109 M 8.20 4.15 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.07 0.00 110 I 7.83 3.58 1.90 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.74 0.00 0.00 111 V 7.75 3.45 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 1.27 0.00 0.00 1.19 0.00 0.00 112 I 7.84 3.62 1.85 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 1.46 0.75 0.88 0.00 0.00 113 A 8.12 3.96 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 0.00 114 L 7.77 3.66 0.00 0.83 0.96 0.39 0.41 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 0.00 115 A 6.91 3.69 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 0.00 116 H 7.95 4.16 0.00 3.04 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.76 4.49 0.00 2.99 3.01 0.00 5.65 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 0.00 118 H 8.21 5.00 0.00 3.22 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.76 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 4.37 0.00 2.20 2.20 0.00 3.75 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 2.00 1.99 0.00 120 S 8.12 4.32 0.00 3.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.19 4.18 0.00 2.09 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 0.00 2.39 2.31 0.00 122 F 7.94 4.50 0.00 3.15 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 0.00 123 T 7.26 4.22 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 1.27 0.00 0.00 124 P 0.00 4.19 0.00 2.16 2.13 0.00 3.59 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 2.11 2.18 0.00 125 C 7.95 4.16 0.00 2.94 2.96 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 0.00 126 T 7.82 3.91 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 1.45 0.00 0.00 127 Q 7.91 3.43 0.00 1.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 128 A 8.00 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 0.00 129 A 7.87 3.88 1.32 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 0.00 130 F 8.33 4.08 0.00 3.44 3.37 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 0.00 131 Q 8.75 4.14 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 132 K 8.01 4.05 0.00 1.93 1.83 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 133 V 7.74 3.66 1.92 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 0.84 0.00 0.00 0.69 0.00 0.00 134 T 8.50 4.08 4.37 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 1.58 0.00 0.00 135 A 8.25 4.13 1.46 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 0.00 136 G 8.24 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.22 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 0.46 0.00 0.00 0.64 0.00 0.00 138 A 8.07 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.24 4.33 0.00 2.75 3.02 0.00 0.00 7.24 8.82 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 0.00 140 A 8.02 4.11 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 0.00 141 L 7.88 3.72 0.00 0.88 0.22 0.23 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.63 4.74 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 0.00 0.00 0.00 0.00 0.00 143 H 7.87 4.06 0.00 3.33 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.64 4.05 0.00 1.55 1.73 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.61 7.81 145 Y 7.90 4.53 0.00 3.06 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 0.00 146 H 7.89 4.67 0.00 3.13 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00