NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8106 8.3544 109.7178 45.2106 0.0000 173.7384 4 D 4.3248 8.3746 123.8825 53.1960 42.9379 175.7691 5 K 3.9862 9.4110 127.3885 59.4923 32.5879 179.1153 6 K 4.0043 8.0467 118.2597 58.8028 32.0176 179.5250 7 V 3.5389 8.0972 118.8966 65.9725 31.4706 177.9776 8 I 3.6718 7.7484 119.5737 64.6320 37.0957 178.2436 9 Q 3.9403 8.1441 120.1710 59.3098 28.7599 177.9335 10 H 4.1701 8.3117 117.4220 58.7913 28.7016 177.6664 11 L 3.9937 8.3311 121.1667 58.0543 41.4899 179.4581 12 N 4.4222 8.3726 116.2941 55.8783 38.4879 177.5373 13 K 3.9490 7.8696 120.9300 59.4947 32.3652 178.8698 14 I 3.7184 7.9467 120.2736 64.3574 36.9171 178.1605 15 L 4.0618 8.4441 121.6699 58.0678 41.8037 179.0746 16 G 3.6786 8.2098 105.7019 48.0574 0.0000 175.3822 17 N 4.3665 8.0235 118.3457 56.0452 38.4780 177.3336 18 E 3.9690 8.1527 119.9878 59.5456 29.1793 179.4895 19 L 3.9373 8.1961 119.0926 57.6517 41.5174 179.8024 20 I 3.6660 7.5374 119.8400 64.1432 37.0407 178.1220 21 A 3.2266 7.8103 121.5585 54.8959 18.0675 179.4627 22 I 3.5896 7.7350 118.4352 64.9469 37.1793 178.4826 23 N 4.3698 7.7361 116.4683 56.1141 38.2745 177.4926 24 Q 3.8516 8.1339 121.1566 59.4961 29.1705 177.8969 25 Y 4.6463 8.1713 118.2699 61.1227 37.8670 178.2526 26 F 4.0405 8.6479 121.9020 61.0047 39.5000 176.9979 27 L 3.9536 8.3631 120.2404 58.4727 41.9053 178.5149 28 H 3.8271 8.2781 116.2487 58.8567 28.5728 177.3963 29 S 4.3321 8.4572 115.1504 61.9475 62.1034 176.6559 30 R 3.8446 7.8460 120.2510 58.9081 29.7669 178.8493 31 M 3.4448 8.3096 119.0781 58.0298 31.9025 178.6492 32 W 4.4462 8.0369 119.1861 60.0234 29.2336 178.3125 33 N 4.3969 8.4584 116.4874 56.4406 37.7469 176.9603 34 D 4.3353 8.0110 118.6166 56.9905 41.4105 177.7006 35 W 4.8003 8.0010 117.0745 57.2181 29.2249 177.1758 36 G 3.9839 8.1561 107.3112 45.9112 0.0000 175.1031 37 L 4.5621 7.9374 122.0960 53.3621 40.2358 177.6592 38 K 4.1008 8.6064 121.8142 59.0716 32.4497 179.1207 39 R 3.8804 7.8247 119.0116 59.1982 29.9172 178.4719 40 L 3.8007 7.7542 118.5673 57.5762 41.5234 179.5742 41 G 3.7131 8.1053 105.5027 47.7165 0.0000 175.7175 42 A 4.0080 8.2871 123.4207 55.1430 18.4425 179.2551 43 H 3.9669 8.3486 116.8447 59.3359 29.8830 177.1236 44 E 3.9892 8.5275 121.3965 59.3488 29.4796 178.0840 45 Y 4.0500 8.1921 119.6559 61.1052 38.8005 177.9308 46 H 4.0598 8.1039 116.8190 58.6696 28.8134 177.5312 47 E 3.8203 8.1376 120.4432 59.4106 29.2901 179.1925 48 S 4.2650 8.2798 113.0959 61.7120 62.4898 176.2903 49 I 3.5950 7.5032 122.2070 64.4145 36.7203 177.8650 50 D 4.3194 8.1218 119.6896 57.8185 40.6625 179.1154 51 E 4.0651 8.1163 118.3707 59.3695 29.4527 179.2146 52 M 4.0374 7.9922 119.0833 58.2267 31.9960 178.8370 53 K 4.0590 7.9323 118.6163 59.3326 32.3178 178.9911 54 H 4.2105 8.3858 116.5673 58.9045 28.5993 177.4261 55 A 3.9926 8.1864 122.5016 55.3044 18.2681 179.0239 56 D 4.2698 8.1533 116.3073 57.6170 41.3996 178.6910 57 K 3.9951 7.9899 118.6836 59.5427 31.9723 179.4017 58 L 4.0694 8.0661 119.2637 57.7639 41.6459 179.5343 59 I 3.7456 8.1045 120.1474 64.4289 36.9111 178.3866 60 E 4.0354 8.1949 119.3737 59.1691 29.2158 179.3455 61 R 3.9884 7.9223 118.2927 59.6457 30.1818 178.4095 62 I 3.6917 8.1143 120.0020 64.6318 36.9958 178.4421 63 L 4.0213 7.9137 119.1357 57.5747 41.2959 179.0474 64 F 4.3400 8.3384 119.9047 61.4304 39.4554 176.6146 65 L 3.8377 7.8616 114.8744 54.8247 41.3267 177.1022 66 E 3.7243 8.1112 118.0053 57.0242 27.0826 174.4916 67 G 3.9387 8.0879 108.6809 44.0938 0.0000 173.4923 68 L 4.5582 8.0195 118.9580 52.1232 42.5576 175.2701 69 P 4.4510 0.0000 0.0000 62.3066 31.9077 175.8342 70 N 4.7076 8.9501 121.6464 52.4522 38.6826 173.9185 71 L 4.6185 8.3206 124.1699 54.5370 42.3506 177.4202 72 Q 4.1268 8.4297 122.1701 57.7150 29.4291 175.7201 73 D 4.6400 8.0995 117.6611 52.6387 41.7248 175.3097 74 L 4.5477 8.3631 126.1616 52.9578 43.7763 176.2540 75 G 3.8447 8.2955 117.3247 44.5811 0.0000 171.1338 76 K 4.1354 8.4218 121.7076 55.4416 32.4116 177.6073 77 L 4.0063 8.4346 127.0696 54.8390 42.0573 177.1600 78 L 4.4147 8.6276 124.1278 53.3867 40.9330 175.3549 79 I 4.2672 8.0477 124.3840 59.3897 38.1303 176.7105 80 G 3.9991 8.7455 115.0730 44.8860 0.0000 172.5091 81 E 4.6997 9.3987 116.0054 55.9392 30.8653 175.6458 82 N 5.0823 7.6772 117.0577 50.6359 41.7913 175.1275 83 T 4.3503 8.5707 110.8409 65.1303 68.8880 175.8925 84 Q 3.9472 8.2847 122.2924 59.1214 28.9761 178.2690 85 E 4.1229 8.6728 119.9661 59.4893 29.7141 178.6479 86 M 3.9670 8.2540 118.8494 58.2551 31.9714 178.7038 87 L 4.1501 8.3810 119.3239 58.0436 41.7377 179.6348 88 Q 4.0581 8.3491 118.0287 59.0925 28.5945 178.5193 89 C 4.1735 8.6682 118.1950 63.1205 28.1560 176.0193 90 D 4.6685 8.2622 120.2874 57.2541 40.3639 178.6101 91 L 4.0249 8.0707 120.9616 58.2940 42.1292 178.8071 92 N 4.3867 8.5837 116.8310 56.2094 38.4600 177.1924 93 L 4.0532 8.2943 121.9179 58.1358 42.1797 178.9380 94 E 4.1253 8.6180 118.8319 59.3310 29.5367 179.2859 95 L 4.0391 8.2230 119.2210 57.5476 41.6696 179.2927 96 K 3.9029 8.1269 119.4271 59.6467 32.1224 178.6943 97 A 4.2228 8.1247 120.8955 55.3835 18.1787 179.8674 98 T 3.8628 8.1081 114.4002 66.5250 68.5599 176.8737 99 K 3.8942 7.9302 121.2403 59.8306 32.2374 178.5534 100 D 4.4129 8.1422 119.0262 57.1100 40.5952 178.5813 101 L 3.9720 8.0519 119.5829 58.0565 41.7301 179.5756 102 R 3.9195 8.1390 117.8129 59.6463 30.1473 179.0139 103 E 3.9744 8.0889 117.4257 59.2970 29.3544 179.3306 104 A 3.5747 8.1080 120.8851 55.0157 18.4137 179.7326 105 I 3.6221 7.9902 118.5994 64.3619 37.1129 178.7510 106 V 3.5595 7.7781 119.1285 66.3008 31.4630 177.6267 107 H 3.9920 8.0714 117.6464 59.3704 29.7355 176.8160 108 C 4.0274 8.2675 118.7642 62.8768 27.9454 175.8327 109 E 3.9073 8.1695 120.9066 59.3493 29.0767 178.9215 110 Q 3.9913 7.8912 116.3045 58.5047 28.6178 177.8621 111 V 3.9876 7.2017 111.3547 60.5173 31.9004 175.6192 112 H 3.0669 7.5763 114.3411 56.9745 26.7857 176.3830 113 D 4.5215 7.4068 120.9583 53.5185 38.0301 175.9990 114 Y 4.3313 7.4016 121.0184 60.2967 38.4630 177.6742 115 V 3.7260 7.8440 119.3016 65.9176 31.6678 178.0979 116 S 4.1566 8.4812 115.0864 61.4327 62.5834 176.3479 117 R 3.8864 7.9998 121.5191 59.5506 29.8267 177.9367 118 D 4.3048 8.1446 117.5776 57.2402 41.2583 177.7013 119 L 3.9167 7.8805 120.7337 58.5158 42.0275 179.0089 120 L 4.0041 8.2303 118.9346 57.7311 41.4649 179.5488 121 K 3.9835 8.4216 119.8530 59.3476 32.2237 178.7534 122 D 4.3416 8.0940 119.3274 57.2294 40.6473 178.6709 123 I 3.4818 7.7306 120.3789 64.2184 37.0976 178.2398 124 L 3.9134 8.0769 121.2433 57.9876 41.9142 178.4310 125 E 3.9038 8.3174 119.3972 59.5605 29.5879 178.8773 126 S 4.0898 7.9510 112.5781 61.3939 62.3607 175.9582 127 E 4.1041 8.3806 121.5868 59.4181 29.1607 179.1714 128 E 4.0775 8.7742 119.1246 59.2230 29.4908 179.1761 129 E 4.0419 8.2920 118.9654 59.6224 29.4190 179.0654 130 H 4.3976 8.2829 116.3061 58.9413 28.7101 177.8004 131 I 3.7470 8.2392 122.0424 64.5243 36.9570 177.9135 132 D 4.3198 8.3310 118.7960 57.4074 40.9478 177.5437 133 Y 4.0910 8.1717 119.9476 60.7312 38.7972 178.1126 134 L 3.6299 8.1322 119.7168 57.8370 41.8042 179.2929 135 E 3.8966 8.3396 118.5643 59.8052 29.4177 179.5792 136 T 3.8098 7.7457 115.5396 66.8627 68.5465 176.6481 137 Q 3.8184 7.9414 120.0033 58.7883 28.4812 178.9274 138 L 3.8902 7.8113 120.1907 57.6359 41.6388 179.7351 139 G 3.5886 8.4268 106.0850 47.7910 0.0000 175.7201 140 L 4.0834 7.7343 121.1293 57.2718 41.6430 179.4840 141 I 3.5075 7.4053 119.9615 64.4133 36.7815 178.3453 142 Q 3.9722 7.4564 117.4427 58.9880 28.6133 178.8332 143 K 4.1549 7.8126 118.2504 58.6300 32.3641 178.9421 144 V 4.1997 8.0381 110.1060 59.9187 33.1746 177.0114 145 G 4.0113 7.7490 106.4972 45.3014 0.0000 174.4552 146 L 3.9549 8.6497 123.2304 58.1464 42.2098 179.3235 147 E 3.9766 8.1796 117.9635 59.5529 29.4531 179.0131 148 N 4.3456 8.1256 115.9703 56.4288 38.4732 176.6986 149 Y 4.0264 7.9002 119.7975 60.6797 39.1447 177.6723 150 L 4.1007 8.3513 120.2062 57.8366 41.5969 179.2600 151 Q 3.9093 8.1267 119.5042 59.2225 28.8288 177.9554 152 S 4.3599 7.9123 113.2691 59.7700 63.1401 174.3602 153 H 4.6264 7.7301 118.9795 55.7513 29.3823 176.2398 154 M 4.0781 7.8756 121.5996 58.3801 31.9934 175.9349 155 H 5.2206 7.5836 114.2034 53.9207 30.7606 175.0155 156 E 4.1355 8.6762 121.3846 56.7848 29.3095 176.8529 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 3 G 8.35 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 4 D 8.37 4.32 0.00 2.85 2.51 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 5 K 9.41 3.99 0.00 1.81 1.81 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.50 7.81 6 K 8.05 4.00 0.00 1.78 1.65 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.45 7.81 7 V 8.10 3.54 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 1.11 0.00 0.00 0.92 0.00 0.00 8 I 7.75 3.67 2.00 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 1.38 0.55 0.89 0.00 0.00 9 Q 8.14 3.94 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 10 H 8.31 4.17 0.00 3.36 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.33 3.99 0.00 1.81 1.73 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.37 4.42 0.00 2.85 2.85 0.00 0.00 6.70 7.12 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 13 K 7.87 3.95 0.00 1.93 1.99 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 I 7.95 3.72 2.01 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 1.70 0.95 0.92 0.00 0.00 15 L 8.44 4.06 0.00 1.80 1.90 0.92 0.94 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 16 G 8.21 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 17 N 8.02 4.37 0.00 3.03 2.88 0.00 0.00 7.02 7.10 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 18 E 8.15 3.97 0.00 2.17 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 2.60 2.53 0.00 19 L 8.20 3.94 0.00 1.64 1.68 0.90 1.09 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 20 I 7.54 3.67 1.96 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 1.42 0.72 0.89 0.00 0.00 21 A 7.81 3.23 1.07 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 0.00 0.00 22 I 7.74 3.59 1.96 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 1.50 0.56 0.86 0.00 0.00 23 N 7.74 4.37 0.00 2.77 2.83 0.00 0.00 6.76 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.13 3.85 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 25 Y 8.17 4.65 0.00 3.07 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 26 F 8.65 4.04 0.00 3.30 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 27 L 8.36 3.95 0.00 1.89 1.74 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.28 3.83 0.00 3.52 3.04 0.00 5.71 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 29 S 8.46 4.33 0.00 3.98 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 30 R 7.85 3.84 0.00 1.86 1.86 0.00 2.91 0.00 0.00 2.50 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 31 M 8.31 3.44 0.00 0.83 1.68 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.13 0.00 32 W 8.04 4.45 0.00 3.64 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 33 N 8.46 4.40 0.00 2.84 2.84 0.00 0.00 6.69 8.38 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 34 D 8.01 4.34 0.00 2.55 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.00 4.80 0.00 3.75 3.15 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 36 G 8.16 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 0.00 0.00 0.00 37 L 7.94 4.56 0.00 2.05 1.66 1.31 0.63 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 38 K 8.61 4.10 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.62 7.81 39 R 7.82 3.88 0.00 1.80 1.91 0.00 3.23 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.75 3.80 0.00 1.25 0.14 0.49 0.05 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 41 G 8.11 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 0.00 0.00 0.00 42 A 8.29 4.01 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 43 H 8.35 3.97 0.00 3.28 3.21 0.00 5.60 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 44 E 8.53 3.99 0.00 2.54 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 0.00 2.77 2.69 0.00 45 Y 8.19 4.05 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.10 4.06 0.00 3.27 3.21 0.00 5.70 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 47 E 8.14 3.82 0.00 2.07 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 2.36 2.21 0.00 48 S 8.28 4.26 0.00 4.18 4.08 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 49 I 7.50 3.59 1.84 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 0.99 0.32 0.84 0.00 0.00 50 D 8.12 4.32 0.00 3.03 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 51 E 8.12 4.07 0.00 2.01 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 0.00 2.71 2.50 0.00 52 M 7.99 4.04 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 53 K 7.93 4.06 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.61 7.81 54 H 8.39 4.21 0.00 3.47 3.44 0.00 5.65 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 55 A 8.19 3.99 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 56 D 8.15 4.27 0.00 2.92 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 57 K 7.99 4.00 0.00 2.17 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 58 L 8.07 4.07 0.00 1.85 1.72 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.10 3.75 2.04 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 1.52 1.11 0.92 0.00 0.00 60 E 8.19 4.04 0.00 2.06 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 2.34 2.48 0.00 61 R 7.92 3.99 0.00 2.00 2.11 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.11 3.69 2.03 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 1.53 0.68 0.94 0.00 0.00 63 L 7.91 4.02 0.00 2.10 1.77 0.96 0.87 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 64 F 8.34 4.34 0.00 2.94 3.33 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 65 L 7.86 3.84 0.00 1.72 1.59 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.11 3.72 0.00 1.99 2.05 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 2.16 2.24 0.00 67 G 8.09 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 0.00 0.00 0.00 68 L 8.02 4.56 0.00 1.62 1.61 0.91 1.00 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 69 P 0.00 4.45 0.00 2.04 1.98 0.00 3.64 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 2.03 2.07 0.00 70 N 8.95 4.71 0.00 2.65 2.83 0.00 0.00 7.06 7.29 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 71 L 8.32 4.62 0.00 1.62 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.43 4.13 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.10 4.64 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.36 4.55 0.00 1.51 1.51 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.30 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 76 K 8.42 4.14 0.00 1.71 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.43 4.01 0.00 1.63 1.56 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.63 4.41 0.00 1.80 1.69 1.01 0.70 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 79 I 8.05 4.27 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.89 0.00 0.00 80 G 8.75 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.40 4.70 0.00 2.08 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 0.00 2.65 2.23 0.00 82 N 7.68 5.08 0.00 2.91 2.88 0.00 0.00 5.99 7.22 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 83 T 8.57 4.35 5.31 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 1.75 0.00 0.00 84 Q 8.28 3.95 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 85 E 8.67 4.12 0.00 2.30 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 86 M 8.25 3.97 0.00 1.35 2.08 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.10 0.00 87 L 8.38 4.15 0.00 1.91 1.72 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.35 4.06 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 89 C 8.67 4.17 0.00 3.22 3.21 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 90 D 8.26 4.67 0.00 2.97 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 91 L 8.07 4.02 0.00 1.80 1.85 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.58 4.39 0.00 2.93 2.89 0.00 0.00 6.68 7.28 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 93 L 8.29 4.05 0.00 1.94 2.01 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.62 4.13 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 95 L 8.22 4.04 0.00 1.73 1.74 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.13 3.90 0.00 1.91 2.02 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 97 A 8.12 4.22 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 98 T 8.11 3.86 4.55 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 1.30 0.00 0.00 99 K 7.93 3.89 0.00 1.88 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 D 8.14 4.41 0.00 2.90 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 0.00 101 L 8.05 3.97 0.00 1.87 1.73 0.92 0.82 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 0.00 102 R 8.14 3.92 0.00 1.99 2.00 0.00 3.14 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 1.66 1.89 0.00 103 E 8.09 3.97 0.00 2.17 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 2.35 2.34 0.00 104 A 8.11 3.57 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 0.00 105 I 7.99 3.62 2.02 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 1.41 0.61 0.93 0.00 0.00 106 V 7.78 3.56 2.25 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 0.98 0.00 0.00 0.97 0.00 0.00 107 H 8.07 3.99 0.00 3.40 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.27 4.03 0.00 3.15 3.11 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 0.00 109 E 8.17 3.91 0.00 2.14 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 2.37 2.44 0.00 110 Q 7.89 3.99 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 111 V 7.20 3.99 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 0.75 0.00 0.00 0.98 0.00 0.00 112 H 7.58 3.07 0.00 3.18 3.18 0.00 5.65 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 0.00 113 D 7.41 4.52 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.40 4.33 0.00 3.09 2.94 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 0.00 115 V 7.84 3.73 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.01 0.00 0.00 116 S 8.48 4.16 0.00 4.04 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 0.00 117 R 8.00 3.89 0.00 1.93 2.16 0.00 3.17 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 1.70 1.70 0.00 118 D 8.14 4.30 0.00 3.05 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 0.00 119 L 7.88 3.92 0.00 1.89 1.86 0.94 0.68 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 0.00 120 L 8.23 4.00 0.00 1.85 1.70 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.42 3.98 0.00 1.92 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.35 7.81 122 D 8.09 4.34 0.00 2.91 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 0.00 123 I 7.73 3.48 1.96 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 1.14 0.69 0.79 0.00 0.00 124 L 8.08 3.91 0.00 1.83 1.84 0.93 0.77 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 0.00 125 E 8.32 3.90 0.00 2.17 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 0.00 2.31 2.33 0.00 126 S 7.95 4.09 0.00 4.00 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 0.00 127 E 8.38 4.10 0.00 2.14 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 0.00 2.50 2.53 0.00 128 E 8.77 4.08 0.00 2.11 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 2.35 2.52 0.00 129 E 8.29 4.04 0.00 2.19 2.05 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 2.36 2.37 0.00 130 H 8.28 4.40 0.00 3.59 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.24 3.75 2.07 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 1.47 0.80 0.94 0.00 0.00 132 D 8.33 4.32 0.00 2.92 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 0.00 133 Y 8.17 4.09 0.00 3.12 3.13 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 0.00 134 L 8.13 3.63 0.00 2.06 1.67 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.34 3.90 0.00 1.97 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 2.55 0.00 136 T 7.75 3.81 4.38 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 1.19 0.00 0.00 137 Q 7.94 3.82 0.00 1.78 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.25 2.00 0.00 138 L 7.81 3.89 0.00 1.76 1.61 0.83 0.88 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 0.00 139 G 8.43 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 0.00 140 L 7.73 4.08 0.00 1.80 1.79 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.41 3.51 1.78 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 1.08 -0.11 0.81 0.00 0.00 142 Q 7.46 3.97 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 143 K 7.81 4.15 0.00 1.74 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.75 7.81 144 V 8.04 4.20 2.12 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 0.78 0.00 0.00 1.07 0.00 0.00 145 G 7.75 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 0.00 0.00 0.00 146 L 8.65 3.95 0.00 1.76 1.68 0.96 0.96 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 0.00 147 E 8.18 3.98 0.00 2.06 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 2.41 0.00 148 N 8.13 4.35 0.00 3.07 2.89 0.00 0.00 6.75 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.90 4.03 0.00 3.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.35 4.10 0.00 1.88 1.74 0.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.13 3.91 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 152 S 7.91 4.36 0.00 3.67 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 0.00 153 H 7.73 4.63 0.00 2.88 3.01 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.88 4.08 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.46 0.00 155 H 7.58 5.22 0.00 3.10 3.17 0.00 5.72 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 0.00 156 E 8.68 4.14 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00