NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5055 0.0000 0.0000 61.9460 33.4204 175.2251 3 E 4.2942 8.9139 125.5462 56.1328 30.1426 174.6686 4 I 4.2174 9.5375 129.8086 61.1474 38.8636 175.1190 5 R 4.5330 8.5884 124.9512 55.1539 31.9918 175.0459 6 L 4.8358 8.3878 123.1777 53.4804 43.1199 176.2627 7 R 4.2539 9.4985 126.3063 58.7473 30.4105 175.7712 8 H 4.8029 7.7084 111.5789 54.5760 32.3637 171.4284 9 V 4.1774 8.1379 119.0274 62.1576 31.3359 175.7599 10 V 3.9777 8.9647 129.6107 65.7298 32.1268 175.8674 11 S 4.6643 7.6528 112.2977 57.8363 66.2936 173.3141 12 C 4.9550 8.1744 120.4317 58.3577 33.5328 174.0205 13 S 4.3683 9.7603 122.9491 61.1035 63.4835 174.7481 14 S 4.5743 8.0177 110.5900 57.5922 64.8717 174.4305 15 Q 5.5658 8.3899 123.2610 55.4515 31.1007 173.4921 16 D 4.7114 8.4622 119.0998 53.3595 42.3305 176.5965 17 S 4.3024 8.5748 117.6545 60.8838 63.5875 175.4620 18 T 4.2057 8.0851 109.6310 63.7647 69.8069 175.5989 19 H 4.9171 8.1148 122.3056 53.0355 27.3970 174.1720 20 C 5.0132 7.7038 117.7329 56.1475 32.3109 175.4376 21 A 3.5209 9.6361 125.3910 56.1013 17.5634 180.5533 22 E 3.9010 8.2127 115.9124 61.2484 29.4376 181.1732 23 N 4.7202 8.0905 113.9575 55.7733 38.6413 176.3794 24 L 4.4404 7.8569 119.0921 55.6340 42.1572 177.7567 25 L 4.1705 7.5966 118.7012 56.7640 41.8985 177.7465 26 K 4.5664 7.7628 117.0456 54.2514 35.6385 177.0706 27 A 4.1814 8.6099 126.2302 54.6580 18.7451 178.8643 28 D 4.1798 8.0649 115.1318 57.7736 40.0814 178.3724 29 T 3.6479 7.3307 114.1626 64.6260 68.5602 175.2911 30 Y 3.9394 7.0779 117.9045 59.4365 35.9208 169.9942 31 R 4.7655 7.3156 117.6481 54.5615 31.6509 178.9158 32 K 5.0396 8.4316 119.0893 54.3600 35.9026 174.6298 33 W 5.1828 8.8878 131.9052 55.9887 32.9902 174.9023 34 R 4.6093 8.9769 124.6349 53.7465 33.4252 174.5589 35 A 4.1242 7.8357 122.5464 51.7595 18.9458 178.9201 36 A 4.2971 8.7373 124.0174 54.6510 18.7370 178.4425 37 K 4.6264 7.2010 112.5985 54.2790 36.2805 176.1620 38 A 4.2249 8.3171 123.9274 53.5322 18.8661 178.3084 39 G 3.9172 8.9703 108.6685 45.3079 0.0000 173.3551 40 E 4.2741 7.9153 119.4874 55.4972 29.8015 176.7089 41 K 4.3033 8.8281 124.8187 59.3664 33.1652 177.0275 42 T 5.5531 7.8036 107.3346 60.4545 72.0660 173.0800 43 I 4.8568 8.9309 115.1761 60.1163 41.7365 173.4831 44 S 5.3580 9.3798 116.2880 57.5138 66.2416 173.1989 45 V 4.6571 8.4230 117.1469 59.6193 36.3372 174.1396 46 V 4.5507 8.4932 124.1965 61.1468 33.7896 174.1832 47 L 4.9301 9.0432 128.2039 53.0539 44.4013 175.1183 48 Q 4.8523 8.8673 125.0503 54.7094 30.3302 175.1493 49 L 4.5810 8.6997 127.2121 54.6658 42.0740 177.2892 50 E 4.3101 8.7999 121.7011 58.9050 29.8773 177.2655 51 K 4.7436 7.7302 115.6850 54.5686 36.3519 175.8513 52 E 4.3947 8.6976 122.2317 56.5859 30.1654 175.6038 53 E 4.8147 9.6436 125.3605 54.9716 35.1748 173.7014 54 Q 4.8497 8.6333 122.7368 55.4706 30.7869 174.2543 55 I 4.7336 8.5702 127.3994 60.9943 37.7642 174.7579 56 H 4.7433 9.7658 127.7421 57.8935 31.2083 174.8880 57 S 5.0347 7.9783 110.4616 57.0281 66.4640 173.0484 58 V 4.8402 9.0513 123.5597 61.5737 34.7213 173.4522 59 D 5.4556 9.1946 128.4485 52.8563 43.3205 175.5085 60 I 4.4223 8.9050 123.5833 59.3495 40.7283 174.5896 61 G 3.5389 7.5866 114.9458 44.1725 0.0000 172.9766 62 N 4.6931 8.8199 125.5573 52.8797 40.8965 174.3056 63 D 4.7200 8.0422 116.6501 53.3001 40.8896 176.2280 64 G 4.1192 8.7533 107.1131 45.4757 0.0000 173.4824 65 S 4.0841 7.6145 115.2191 58.2665 63.7722 173.7708 66 A 4.3605 8.8433 124.6436 53.2326 20.5193 177.3720 67 F 5.5218 7.8710 112.1769 55.8954 43.8231 174.4351 68 V 4.9130 9.2858 121.2658 61.2265 35.0478 173.7097 69 E 5.1179 9.6316 128.0904 54.3177 33.2315 174.3608 70 V 4.8796 8.4783 125.2169 61.1422 34.5537 174.2755 71 L 5.2099 9.2348 127.1851 53.1253 45.6432 175.7622 72 V 4.5441 8.5720 114.0568 59.8910 35.4939 175.3250 73 G 3.8669 8.4300 109.2902 45.5036 0.0000 171.1024 74 S 5.5535 8.3342 113.5351 56.4784 64.7914 174.6874 75 S 4.2796 9.2664 119.4625 59.7986 63.4881 174.5694 76 A 4.0323 7.8043 125.5462 52.9596 18.4443 177.2686 77 G 3.7136 9.2607 111.1276 46.3426 0.0000 175.2739 78 G 3.8010 8.4179 109.8603 44.3728 0.0000 173.4892 79 A 4.3652 8.2469 121.3528 50.8535 19.5623 176.3992 80 G 4.0570 8.8493 112.5347 44.4713 0.0000 173.9789 81 E 3.9494 8.7651 117.6420 59.9528 29.3823 179.6614 82 Q 4.2523 8.0629 113.2529 56.4703 28.3624 176.2014 83 D 4.5963 7.7246 119.4609 55.2644 42.3190 176.2874 84 Y 4.2770 7.2629 117.4370 57.3985 38.4761 175.3727 85 E 4.2929 8.8979 125.9949 55.4262 31.5613 175.2626 86 V 3.9653 8.1900 125.2885 62.8460 32.1116 174.7172 87 L 4.3446 9.0006 130.1377 56.4150 43.9378 175.5109 88 L 4.9629 7.5769 124.2221 52.7008 43.6913 175.7079 89 V 3.9606 8.4506 126.2532 61.8025 32.2654 175.6970 90 T 4.0471 8.3585 118.0030 64.5494 68.7481 173.2214 91 S 4.9885 9.4087 123.0808 56.6471 66.0864 173.6853 92 S 4.9504 8.7700 118.2992 58.2113 62.8581 173.5656 93 F 4.7284 8.9270 122.0521 57.0238 41.1690 174.7528 94 M 4.6014 7.6458 116.0477 53.3411 35.0550 174.7195 95 S 4.3404 8.7120 121.5211 56.6781 65.8665 173.6830 96 P 3.4670 0.0000 0.0000 65.5961 30.9244 179.1564 97 S 4.0460 7.7288 113.2101 61.6430 62.8400 176.5074 98 E 3.9376 8.0449 121.2051 59.5044 28.9758 179.5355 99 S 4.1428 8.2279 114.4311 61.7403 62.9619 176.7591 100 R 4.0900 8.2782 120.4227 58.7808 29.9460 178.4928 101 S 4.5495 8.0924 111.7762 58.0334 63.6366 175.0536 102 G 3.8528 8.4867 110.6930 46.1296 0.0000 173.4269 103 S 4.3020 7.9620 114.8745 58.8090 64.1952 174.1146 104 N 4.1587 8.5731 120.6653 54.2038 35.6506 172.7179 105 P 4.5181 0.0000 0.0000 63.4695 33.2013 178.9068 106 N 5.1575 7.8852 115.2779 51.8768 39.9598 174.6540 107 R 4.0468 8.1216 120.9855 57.2028 31.0076 175.2588 108 V 5.0647 8.4891 125.7578 60.1920 33.5786 175.3409 109 R 4.4699 9.2269 123.1108 54.4495 33.7845 173.7939 110 M 4.7561 8.2539 122.9094 53.9769 34.3807 175.3116 111 F 4.6537 9.2247 124.0106 55.7262 42.4223 175.2898 112 G 4.3855 8.4850 113.9807 43.7235 0.0000 170.9569 113 P 4.2978 0.0000 0.0000 65.4081 31.3137 178.6317 114 D 4.3163 8.0603 116.2996 55.1941 39.7378 177.0406 115 K 4.3838 7.9077 117.5457 56.5628 32.8094 176.5849 116 L 4.6225 7.1194 118.6088 53.2569 43.0672 176.7053 117 V 3.8845 8.6720 115.3147 61.5013 31.9861 177.9764 118 R 4.1071 8.6536 123.1506 57.9961 29.9372 178.8889 119 A 4.0485 7.9917 119.9234 55.2100 18.8985 179.0370 120 A 4.4434 8.0627 118.6267 55.3130 18.4523 179.3320 121 A 4.2885 8.2731 117.7880 54.4054 18.4781 178.8724 122 E 4.1286 7.9497 117.7242 57.7352 29.9712 176.5422 123 K 4.3073 7.5988 117.1617 55.2717 34.1315 176.1144 124 R 4.7366 7.6484 119.2574 54.6418 32.3026 175.8940 125 W 5.4195 9.2369 121.6366 55.3504 34.3431 174.9525 126 D 5.0144 8.9175 116.4161 52.9775 41.2480 174.8732 127 R 5.1790 8.4190 118.2847 54.7414 34.5096 174.8358 128 V 4.5106 8.5629 121.2631 61.3500 35.1170 173.4881 129 K 4.7050 9.1924 130.1684 54.7086 34.4289 174.6084 130 I 4.8778 8.5417 128.6302 59.5840 39.8481 174.5595 131 V 4.9002 9.0958 127.7225 61.3442 33.7707 173.9616 132 C 5.4543 9.1682 125.4175 58.1782 31.1881 173.1716 133 S 5.0817 9.1409 118.6419 57.1250 66.5892 173.4000 134 Q 4.3691 8.4676 124.1181 54.6083 28.8462 172.3589 135 P 4.2791 0.0000 0.0000 63.4261 32.1505 176.7948 136 Y 4.5580 7.4912 114.5341 58.6540 38.4266 175.6749 137 S 4.5384 7.7505 113.8271 57.2161 65.2626 173.3913 138 K 4.5737 8.5851 125.5249 56.3857 32.3913 176.9391 139 D 4.5546 7.8022 121.4934 56.6735 40.9879 176.7460 140 S 4.7549 7.6018 112.3950 55.7673 66.9976 171.9559 141 P 4.4149 0.0000 0.0000 62.7728 31.8747 175.6796 142 F 5.0885 7.5726 114.7510 55.0968 41.9725 174.2641 143 G 3.5743 7.2774 110.5204 46.2155 0.0000 173.2115 144 L 4.7860 7.9144 123.6037 53.0837 45.3176 177.3770 145 S 4.4576 9.4346 117.7302 60.8289 63.3260 173.5990 146 F 5.1262 7.4500 112.4555 56.3678 41.1639 173.0600 147 V 4.8776 8.5414 120.0672 61.0813 34.1720 174.7671 148 R 4.6400 8.9460 124.3095 55.0494 33.1555 171.9408 149 F 5.3473 8.7600 122.3502 55.2574 42.0735 174.4829 150 H 5.5363 8.9523 118.1991 54.1106 32.6953 173.5084 151 S 5.5795 9.2038 117.4170 56.1806 64.5501 172.1523 152 P 4.2857 0.0000 0.0000 62.1385 31.9317 175.1091 153 P 4.3922 0.0000 0.0000 62.8996 31.3828 176.3686 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 2 P 0.00 4.51 0.00 2.13 2.07 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 3 E 8.91 4.29 0.00 2.12 1.90 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 2.43 2.37 0.00 4 I 9.54 4.22 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 1.01 0.00 0.00 5 R 8.59 4.53 0.00 1.87 1.85 0.00 3.11 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 6 L 8.39 4.84 0.00 1.66 1.58 1.12 0.93 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 7 R 9.50 4.25 0.00 1.80 2.15 0.00 3.31 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 8 H 7.71 4.80 0.00 3.17 3.33 0.00 5.50 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.14 4.18 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 0.60 0.00 0.00 0.83 0.00 0.00 10 V 8.96 3.98 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 0.82 0.00 0.00 0.81 0.00 0.00 11 S 7.65 4.66 0.00 3.86 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 12 C 8.17 4.95 0.00 2.76 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 13 S 9.76 4.37 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 14 S 8.02 4.57 0.00 3.83 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 15 Q 8.39 5.57 0.00 2.42 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 16 D 8.46 4.71 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.57 4.30 0.00 4.01 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 18 T 8.09 4.21 4.03 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 1.17 0.00 0.00 19 H 8.11 4.92 0.00 3.27 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.70 5.01 0.00 3.31 3.29 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 21 A 9.64 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.21 3.90 0.00 1.98 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 2.32 1.98 0.00 23 N 8.09 4.72 0.00 3.03 3.07 0.00 0.00 6.99 7.58 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 24 L 7.86 4.44 0.00 1.65 1.77 0.83 1.08 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 25 L 7.60 4.17 0.00 1.60 1.74 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.76 4.57 0.00 1.73 1.59 0.00 1.63 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.39 7.81 27 A 8.61 4.18 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 28 D 8.06 4.18 0.00 2.53 2.56 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 0.00 0.00 0.00 0.00 29 T 7.33 3.65 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 1.18 0.00 0.00 30 Y 7.08 3.94 0.00 3.33 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 31 R 7.32 4.77 0.00 1.99 1.69 0.00 3.23 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 32 K 8.43 5.04 0.00 1.73 1.84 0.00 1.59 0.00 0.00 1.96 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.50 7.81 33 W 8.89 5.18 0.00 3.34 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 34 R 8.98 4.61 0.00 1.64 1.52 0.00 3.03 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 35 A 7.84 4.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.74 4.30 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 37 K 7.20 4.63 0.00 1.83 1.65 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.50 7.81 38 A 8.32 4.22 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 39 G 8.97 3.92 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 0.00 0.00 0.00 40 E 7.92 4.27 0.00 2.00 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 2.32 2.31 0.00 41 K 8.83 4.30 0.00 1.71 1.83 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.43 7.81 42 T 7.80 5.55 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 I 8.93 4.86 1.87 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 0.90 0.47 0.65 0.00 0.00 44 S 9.38 5.36 0.00 3.91 3.69 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 45 V 8.42 4.66 1.55 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 -0.80 0.00 0.00 0.27 0.00 0.00 46 V 8.49 4.55 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 0.97 0.00 0.00 0.66 0.00 0.00 47 L 9.04 4.93 0.00 1.46 1.45 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.87 4.85 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 49 L 8.70 4.58 0.00 1.67 1.58 0.96 0.65 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 50 E 8.80 4.31 0.00 1.88 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 2.36 2.27 0.00 51 K 7.73 4.74 0.00 1.69 1.72 0.00 1.59 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.43 7.81 52 E 8.70 4.39 0.00 1.99 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 2.38 2.34 0.00 53 E 9.64 4.81 0.00 1.91 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 2.24 2.48 0.00 54 Q 8.63 4.85 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 55 I 8.57 4.73 2.04 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 1.36 0.84 1.20 0.00 0.00 56 H 9.77 4.74 0.00 3.20 3.56 0.00 5.93 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 57 S 7.98 5.03 0.00 3.99 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 58 V 9.05 4.84 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 0.91 0.00 0.00 1.18 0.00 0.00 59 D 9.19 5.46 0.00 2.84 2.75 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 60 I 8.90 4.42 2.31 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 1.39 1.71 0.54 0.00 0.00 61 G 7.59 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.82 4.69 0.00 2.93 2.88 0.00 0.00 6.22 7.89 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 63 D 8.04 4.72 0.00 2.83 2.46 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 64 G 8.75 4.12 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 0.00 0.00 0.00 65 S 7.61 4.08 0.00 3.90 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 66 A 8.84 4.36 1.15 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 67 F 7.87 5.52 0.00 2.94 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 68 V 9.29 4.91 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 0.90 0.00 0.00 0.47 0.00 0.00 69 E 9.63 5.12 0.00 1.99 1.71 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 2.15 2.33 0.00 70 V 8.48 4.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 71 L 9.23 5.21 0.00 1.46 1.62 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.57 4.54 0.67 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 0.33 0.00 0.00 -0.15 0.00 0.00 73 G 8.43 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 0.00 0.00 0.00 74 S 8.33 5.55 0.00 3.95 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 75 S 9.27 4.28 0.00 4.05 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 0.00 76 A 7.80 4.03 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 77 G 9.26 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 78 G 8.42 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.25 4.37 1.11 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 0.00 0.00 80 G 8.85 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 81 E 8.77 3.95 0.00 2.04 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 2.44 2.31 0.00 82 Q 8.06 4.25 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 7.72 4.60 0.00 2.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 7.26 4.28 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.90 4.29 0.00 1.75 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 2.36 2.30 0.00 86 V 8.19 3.97 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 0.76 0.00 0.00 0.95 0.00 0.00 87 L 9.00 4.34 0.00 1.64 1.67 0.99 0.68 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 88 L 7.58 4.96 0.00 1.66 1.39 0.42 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.45 3.96 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 0.76 0.00 0.00 0.92 0.00 0.00 90 T 8.36 4.05 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 1.13 0.00 0.00 91 S 9.41 4.99 0.00 3.86 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 92 S 8.77 4.95 0.00 4.01 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 93 F 8.93 4.73 0.00 2.82 3.01 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 94 M 7.65 4.60 0.00 1.85 2.05 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 95 S 8.71 4.34 0.00 3.93 3.86 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 0.00 0.00 0.00 96 P 0.00 3.47 0.00 1.85 1.53 0.00 3.28 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.85 0.00 97 S 7.73 4.05 0.00 3.79 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 98 E 8.04 3.94 0.00 2.10 2.20 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 2.28 2.28 0.00 99 S 8.23 4.14 0.00 4.01 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 0.00 100 R 8.28 4.09 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 101 S 8.09 4.55 0.00 4.02 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 0.00 102 G 8.49 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.96 4.30 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.57 4.16 0.00 2.80 2.84 0.00 0.00 7.03 8.02 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 0.00 105 P 0.00 4.52 0.00 2.07 2.07 0.00 3.56 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 2.08 2.21 0.00 106 N 7.89 5.16 0.00 2.61 2.84 0.00 0.00 7.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.12 4.05 0.00 1.94 1.97 0.00 3.32 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 108 V 8.49 5.06 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 0.91 0.00 0.00 1.06 0.00 0.00 109 R 9.23 4.47 0.00 1.58 1.09 0.00 2.57 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.22 0.00 110 M 8.25 4.76 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 111 F 9.22 4.65 0.00 3.16 2.97 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 0.00 112 G 8.49 4.39 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 0.00 113 P 0.00 4.30 0.00 2.17 2.06 0.00 3.58 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 2.02 1.66 0.00 114 D 8.06 4.32 0.00 2.81 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 0.00 115 K 7.91 4.38 0.00 2.00 2.12 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.46 7.81 116 L 7.12 4.62 0.00 1.79 1.76 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.67 3.88 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 0.79 0.00 0.00 1.04 0.00 0.00 118 R 8.65 4.11 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 119 A 7.99 4.05 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 0.00 120 A 8.06 4.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.27 4.29 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.13 0.00 2.27 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 2.34 2.40 0.00 123 K 7.60 4.31 0.00 1.08 1.13 0.00 1.90 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.52 7.81 124 R 7.65 4.74 0.00 1.45 1.71 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 125 W 9.24 5.42 0.00 3.14 3.25 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 0.00 126 D 8.92 5.01 0.00 2.67 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 0.00 127 R 8.42 5.18 0.00 1.87 1.99 0.00 3.30 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 128 V 8.56 4.51 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 0.54 0.00 0.00 0.41 0.00 0.00 129 K 9.19 4.71 0.00 0.97 1.20 0.00 0.63 0.00 0.00 1.05 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.08 1.03 7.81 130 I 8.54 4.88 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 1.08 0.00 0.00 131 V 9.10 4.90 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 0.85 0.00 0.00 0.89 0.00 0.00 132 C 9.17 5.45 0.00 3.01 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 0.00 133 S 9.14 5.08 0.00 3.86 3.69 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 0.00 134 Q 8.47 4.37 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.95 0.00 0.00 0.00 0.00 0.00 1.90 2.30 0.00 135 P 0.00 4.28 0.00 1.42 1.81 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.91 0.00 136 Y 7.49 4.56 0.00 3.08 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 0.00 137 S 7.75 4.54 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.59 4.57 0.00 1.77 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 139 D 7.80 4.55 0.00 2.63 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 0.00 140 S 7.60 4.75 0.00 3.82 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 0.00 141 P 0.00 4.41 0.00 1.96 2.05 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 142 F 7.57 5.09 0.00 3.14 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 0.00 143 G 7.28 3.57 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 0.00 0.00 0.00 144 L 7.91 4.79 0.00 1.77 1.53 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 145 S 9.43 4.46 0.00 4.02 4.03 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 0.00 146 F 7.45 5.13 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.54 4.88 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 0.81 0.00 0.00 0.56 0.00 0.00 148 R 8.95 4.64 0.00 1.46 1.79 0.00 3.24 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 149 F 8.76 5.35 0.00 3.02 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 0.00 150 H 8.95 5.54 0.00 3.19 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 9.20 5.58 0.00 3.88 4.05 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 0.00 152 P 0.00 4.29 0.00 1.98 2.07 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 153 P 0.00 4.39 0.00 2.01 1.93 0.00 3.60 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00