NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4761 8.3044 120.3366 55.3916 32.7147 173.9308 2 V 3.5883 7.5970 120.1558 60.9382 32.7636 172.1870 3 E 3.9337 8.9573 128.0656 56.5626 30.7907 175.4952 4 I 4.3978 8.1387 126.1631 59.8995 40.0029 173.9589 5 N 5.0474 8.0501 121.0133 50.3117 41.6495 174.7643 6 N 4.2302 8.6829 117.7109 57.1527 38.6920 176.4798 7 Q 4.0925 8.1617 118.7462 59.0257 28.8162 179.0291 8 R 4.0802 8.4815 119.1138 59.0712 30.2220 179.0965 9 K 4.0047 8.2691 118.1293 59.5253 32.0567 179.2258 10 A 3.9636 8.1089 120.9928 54.9661 18.0596 179.5546 11 F 4.3069 8.1059 119.2155 61.5534 39.5332 177.4881 12 L 3.9644 8.2607 118.7071 57.8875 41.4476 179.2064 13 D 4.3972 8.6618 119.3380 57.4054 40.6658 178.5872 14 M 3.9840 8.0845 118.7386 58.7321 32.2984 178.3021 15 L 3.7619 8.0697 119.3098 57.5794 41.6117 179.3766 16 A 4.0098 8.6613 121.1371 54.7549 18.2750 179.5975 17 W 4.0774 8.0735 126.3652 60.7104 30.6613 178.1531 18 S 3.5791 8.4341 112.5965 61.3011 61.8188 174.7552 19 E 4.1568 8.1768 116.7750 56.3237 29.3787 176.5759 20 G 3.6740 7.6775 107.2343 47.0658 0.0000 175.0784 21 T 4.2276 8.0632 110.0881 62.4035 70.4298 174.6616 22 D 4.8644 7.5955 120.6388 51.7714 40.5235 174.5939 23 N 5.0592 8.1782 114.3849 51.8606 38.6532 176.5899 24 G 4.0118 8.4768 107.3667 45.7548 0.0000 174.0209 25 R 4.3078 7.8567 115.9636 57.6573 31.8018 176.4280 26 Q 3.9099 8.1491 118.2137 55.9543 29.2270 176.4919 27 K 4.0279 8.5137 125.0058 57.1182 32.7353 176.2214 28 T 4.2156 7.8655 113.4121 61.7367 69.7937 173.1250 29 R 4.3366 8.5012 125.9433 57.0505 31.5394 176.8728 30 N 4.7941 7.6610 115.9458 54.7869 39.5143 173.6497 31 H 3.9667 8.7508 118.2817 56.6832 27.0741 176.2744 32 G 3.8357 8.4629 108.4401 45.7634 0.0000 175.3085 33 Y 4.1880 8.3617 118.3306 60.3371 38.2725 176.6905 34 D 3.7571 7.8681 117.6506 52.5928 41.1006 176.0132 35 V 4.2802 7.5348 120.6889 63.0423 32.9600 174.7742 36 I 4.9561 9.0401 129.1781 59.1709 39.5617 175.8403 37 V 4.1038 7.6109 124.6634 62.9488 31.5363 175.7954 38 G 4.0058 8.4612 110.2028 45.1246 0.0000 173.2308 39 G 3.6008 7.3765 109.6465 45.8197 0.0000 174.2741 40 E 4.3053 8.1388 119.3876 56.3285 30.9443 175.8412 41 L 5.4372 8.3556 120.1396 52.9531 45.4933 175.8121 42 F 5.1155 8.0868 114.7803 55.5787 40.2040 175.0999 43 T 4.0876 8.7339 109.2823 61.9901 70.0073 173.9751 44 D 4.7256 8.1117 121.6422 53.4693 41.0185 174.9632 45 Y 4.8427 8.7301 124.1975 58.0684 38.4631 177.8697 46 S 4.2856 8.1131 115.6712 61.0587 63.3201 173.3851 47 D 4.7204 7.6085 117.5717 53.0779 43.8642 173.9446 48 H 2.5911 8.0408 122.6303 54.6829 30.0748 174.2489 49 P 3.8021 0.0000 0.0000 64.1158 30.9191 176.1193 50 R 3.6917 7.0595 115.7176 56.9524 28.3938 175.8892 51 K 4.3426 7.7096 117.6110 54.6442 33.7252 174.4218 52 L 4.5707 8.2263 129.2447 54.0175 41.1969 174.3211 53 V 4.0303 8.1559 124.2870 61.8752 32.9069 174.7435 54 T 3.9305 8.4964 119.3010 62.2844 68.8455 174.3893 55 L 3.9883 8.5584 129.2544 56.0441 40.9419 178.3999 56 N 4.7255 8.8653 119.5977 52.1797 40.4077 174.6452 57 P 4.3029 0.0000 0.0000 64.7895 31.7307 176.6055 58 K 4.6808 7.4059 117.0675 55.2561 32.9785 175.5831 59 L 4.3542 7.9689 117.2490 54.2191 45.5601 173.2894 60 K 4.7916 8.3474 123.8740 55.1646 36.2266 175.1212 61 S 4.7258 8.3723 112.9836 57.7785 66.0056 174.8411 62 T 4.8402 8.0617 114.1721 60.2458 69.8970 174.3911 63 G 4.0837 7.6886 109.8726 47.6767 0.0000 172.6894 64 A 5.1379 9.4755 125.1305 51.3043 23.4901 176.0096 65 G 4.4256 9.2159 105.5850 44.6088 0.0000 174.6057 66 R 4.1856 8.7101 117.5425 57.8084 29.7805 176.7838 67 Y 4.6663 7.4790 113.5479 57.2121 39.1686 175.8796 68 Q 3.4112 7.8477 117.4875 56.8898 26.9136 173.9342 69 L 4.5460 8.4211 120.6206 54.4504 43.7283 176.3042 70 L 4.6310 8.6328 125.7672 54.3893 43.7476 178.3720 71 S 3.9321 8.4158 116.4419 61.4078 62.7590 176.5726 72 R 3.5416 7.7852 121.8414 59.1214 29.6958 178.2144 73 W 4.7252 7.7317 117.3690 58.6343 29.2978 178.5144 74 W 4.5786 8.2264 128.8394 60.7208 30.0889 177.5238 75 D 4.0552 8.3284 118.8252 57.4452 40.2049 178.6836 76 A 3.8949 7.5145 119.5070 55.5671 18.4716 179.4133 77 Y 4.2337 8.0651 114.6296 60.6710 37.8670 178.8412 78 R 3.2990 7.9236 120.3453 59.1642 29.7022 178.5570 79 K 3.8156 7.4728 119.3815 59.2535 31.9763 178.4704 80 Q 3.9601 8.1644 119.6527 59.0326 28.9459 177.1518 81 L 4.3066 8.2984 114.6733 53.9795 42.7904 176.2529 82 G 3.7719 7.2488 105.6166 46.0805 0.0000 174.0623 83 L 4.5327 8.4472 117.7450 53.4072 42.9842 178.2661 84 K 4.2013 8.8415 124.1195 59.3507 32.3613 175.9433 85 D 5.1732 7.8041 114.5764 53.8143 41.7642 174.1968 86 F 4.9130 8.7530 119.5667 57.9180 39.1425 176.0330 87 S 4.5278 8.0885 116.6590 57.0316 65.7954 172.3840 88 P 3.8398 0.0000 0.0000 65.3262 30.7224 178.9191 89 K 3.9825 7.7859 118.0304 59.6573 32.2159 178.9724 90 S 4.3774 7.8943 114.6318 61.7243 62.8663 176.7369 91 Q 4.2605 8.4251 120.9385 59.0701 28.3901 178.4900 92 D 4.4940 8.6442 119.7530 57.2900 40.8488 178.4284 93 A 4.0281 8.2391 121.2479 55.4636 18.4347 179.7354 94 V 3.3701 8.2187 116.2380 66.0304 31.4693 178.0067 95 A 4.1688 7.9778 119.8324 55.4338 18.2547 179.5328 96 L 3.9019 8.1887 117.5575 57.8936 41.5361 179.8657 97 Q 3.8869 8.2332 119.5821 59.3756 28.5950 178.1652 98 Q 3.8877 7.8579 119.0466 59.0866 28.5310 179.0650 99 I 3.8443 8.1637 121.1395 64.0713 37.0407 178.4501 100 K 3.9498 8.1678 120.8140 59.4967 31.8679 178.8050 101 E 4.0271 8.3506 117.8463 58.7500 29.4303 178.6126 102 R 4.2882 7.4910 115.7704 55.6427 30.4595 176.7826 103 G 3.8058 7.8925 106.5301 46.9603 0.0000 174.9602 104 A 4.3058 7.6045 120.5218 52.0739 18.8752 179.8301 105 L 3.8059 7.6174 118.2636 57.3478 41.8438 177.5600 106 P 4.2205 0.0000 0.0000 65.6407 31.1226 178.6236 107 M 4.0270 7.8731 117.1390 58.3950 31.8180 178.7092 108 I 3.6328 7.7664 119.9386 64.4997 37.0555 178.1993 109 D 4.4305 8.0601 118.8289 57.0481 40.7781 178.2685 110 R 4.3044 7.8644 113.5579 56.4735 29.8503 177.2283 111 G 4.0420 8.1430 109.5049 45.9534 0.0000 173.5741 112 D 4.8576 7.5152 120.9170 54.0313 38.1315 176.6275 113 I 3.7877 7.6133 124.5730 63.7639 37.6364 177.5089 114 R 3.9229 7.9493 118.6204 59.5601 29.8624 178.9143 115 Q 3.9911 8.0268 116.8825 58.8607 28.7484 178.4399 116 A 3.9717 7.6039 120.6013 55.1100 18.2509 179.8320 117 I 3.8535 8.2526 118.7018 64.7747 37.0553 178.2454 118 D 4.4108 8.0762 117.4098 57.0593 41.0122 178.1487 119 R 4.0557 7.9436 118.8562 59.6744 30.5666 177.9674 120 C 4.4940 8.4963 115.2462 60.8241 27.6709 175.5384 121 S 4.2796 7.9962 116.9956 61.6477 62.3405 176.0440 122 N 4.8697 8.2159 114.2826 53.4163 37.3025 175.0924 123 I 3.8315 8.0119 120.4818 61.6383 38.7738 176.0699 124 W 4.8204 7.8200 119.5334 54.3792 31.6598 176.0986 125 A 4.2952 8.8078 126.9795 54.9480 18.1593 178.3179 126 S 4.9915 8.0604 108.0359 59.3335 63.8810 174.2159 127 L 4.6143 7.8764 122.5473 53.0307 42.2812 174.3938 128 P 4.5480 0.0000 0.0000 64.6369 31.3241 176.5549 129 G 4.0002 9.6666 112.2709 44.8040 0.0000 173.9540 130 A 4.1750 7.2664 122.1257 53.0969 18.4918 178.3034 131 G 3.7558 7.9609 101.9644 47.4701 0.0000 173.7373 132 Y 4.4499 8.1006 115.1377 56.8919 38.9975 177.8255 133 G 3.9343 8.2840 107.7673 45.6725 0.0000 173.6152 134 Q 4.3657 7.2778 118.6071 54.1040 30.5989 174.7900 135 F 4.1751 8.6551 120.7958 58.8623 40.0820 173.4719 136 E 4.8498 8.0452 126.3518 55.0148 30.8896 176.3615 137 H 4.4616 9.3572 122.7177 55.5750 30.4165 174.6066 138 K 4.5399 8.5955 117.4006 54.9653 34.0551 177.7045 139 A 4.0346 8.6719 124.2528 55.7089 18.2345 180.0806 140 D 4.3358 8.0485 116.7658 57.5873 40.8965 179.0296 141 S 4.2202 8.0160 115.2009 61.2375 62.8908 176.4743 142 L 4.0858 8.0264 121.9751 57.4712 41.5349 179.1400 143 I 3.6719 7.8758 119.5964 64.3694 36.9892 178.3027 144 A 3.9506 7.7410 121.0202 55.2246 18.0347 179.9462 145 K 3.5808 7.1106 114.1872 59.0247 32.1726 179.2542 146 F 4.1735 8.1623 121.2345 61.0747 39.3554 177.2488 147 K 4.4716 8.4505 119.6704 58.9549 31.7858 178.9533 148 E 4.1089 8.0636 114.9533 58.0634 29.5946 177.8088 149 A 4.2384 7.3103 120.8715 52.1490 19.0592 177.7496 150 G 3.9328 7.9746 106.2430 45.0160 0.0000 173.9814 151 G 3.5701 7.4160 108.2707 43.9638 0.0000 173.3335 152 T 4.7586 8.3658 117.9536 61.7825 70.2049 174.5663 153 V 4.6193 7.7695 122.3361 60.8952 34.9508 175.4052 154 R 4.2067 8.5607 121.8366 56.7369 30.6363 175.7630 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.48 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 2 V 7.60 3.59 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 0.73 0.00 0.00 0.95 0.00 0.00 3 E 8.96 3.93 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 2.30 2.37 0.00 4 I 8.14 4.40 1.89 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 1.49 1.02 0.93 0.00 0.00 5 N 8.05 5.05 0.00 2.98 2.87 0.00 0.00 5.60 6.96 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 6 N 8.68 4.23 0.00 2.83 2.84 0.00 0.00 6.88 7.25 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 7 Q 8.16 4.09 0.00 2.35 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 8 R 8.48 4.08 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 9 K 8.27 4.00 0.00 1.80 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.48 7.81 10 A 8.11 3.96 0.70 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 0.00 0.00 11 F 8.11 4.31 0.00 3.60 3.30 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 12 L 8.26 3.96 0.00 1.98 1.84 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.66 4.40 0.00 2.81 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 14 M 8.08 3.98 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 15 L 8.07 3.76 0.00 1.64 1.13 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.66 4.01 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 17 W 8.07 4.08 0.00 3.36 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 18 S 8.43 3.58 0.00 3.95 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 19 E 8.18 4.16 0.00 2.03 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 2.31 2.38 0.00 20 G 7.68 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 21 T 8.06 4.23 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 22 D 7.60 4.86 0.00 2.64 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 23 N 8.18 5.06 0.00 2.75 2.64 0.00 0.00 6.49 7.00 0.00 0.00 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 G 8.48 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 25 R 7.86 4.31 0.00 1.74 1.92 0.00 3.21 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 26 Q 8.15 3.91 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 27 K 8.51 4.03 0.00 1.75 1.70 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.35 7.81 28 T 7.87 4.22 4.17 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 1.20 0.00 0.00 29 R 8.50 4.34 0.00 1.98 1.93 0.00 3.34 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 30 N 7.66 4.79 0.00 2.70 2.72 0.00 0.00 7.46 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 31 H 8.75 3.97 0.00 3.34 3.66 0.00 5.80 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 32 G 8.46 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 33 Y 8.36 4.19 0.00 3.22 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 34 D 7.87 3.76 0.00 2.08 2.39 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 35 V 7.53 4.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.89 0.00 0.00 36 I 9.04 4.96 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.37 0.92 0.00 0.00 37 V 7.61 4.10 2.29 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 1.04 0.00 0.00 0.95 0.00 0.00 38 G 8.46 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 39 G 7.38 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.31 0.00 1.92 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 2.40 2.29 0.00 41 L 8.36 5.44 0.00 1.41 1.45 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.09 5.12 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.73 4.09 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 1.19 0.00 0.00 44 D 8.11 4.73 0.00 2.71 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 45 Y 8.73 4.84 0.00 3.08 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 S 8.11 4.29 0.00 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.61 4.72 0.00 2.73 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 48 H 8.04 2.59 0.00 1.40 2.60 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 3.80 0.00 1.89 1.44 0.00 2.69 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.17 0.00 50 R 7.06 3.69 0.00 2.02 1.98 0.00 3.11 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 51 K 7.71 4.34 0.00 1.70 1.60 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 52 L 8.23 4.57 0.00 1.66 1.57 0.91 0.97 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 53 V 8.16 4.03 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 0.94 0.00 0.00 0.97 0.00 0.00 54 T 8.50 3.93 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 L 8.56 3.99 0.00 1.71 1.52 0.94 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 56 N 8.87 4.73 0.00 2.76 2.73 0.00 0.00 6.79 8.03 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 57 P 0.00 4.30 0.00 2.04 2.14 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 58 K 7.41 4.68 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.33 7.81 59 L 7.97 4.35 0.00 1.68 1.46 0.96 0.66 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 60 K 8.35 4.79 0.00 1.63 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.41 7.81 61 S 8.37 4.73 0.00 3.92 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.06 4.84 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 63 G 7.69 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 0.00 0.00 0.00 64 A 9.48 5.14 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 65 G 9.22 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 0.00 0.00 0.00 0.00 66 R 8.71 4.19 0.00 0.67 0.66 0.00 2.21 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 0.71 0.95 0.00 67 Y 7.48 4.67 0.00 3.26 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 68 Q 7.85 3.41 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 69 L 8.42 4.55 0.00 2.13 2.06 1.30 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.63 4.63 0.00 1.95 1.61 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.42 3.93 0.00 3.97 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 72 R 7.79 3.54 0.00 1.55 1.24 0.00 2.82 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 73 W 7.73 4.73 0.00 3.63 3.45 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 74 W 8.23 4.58 0.00 3.38 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 75 D 8.33 4.06 0.00 2.74 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 76 A 7.51 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.07 4.23 0.00 3.29 3.09 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 78 R 7.92 3.30 0.00 0.67 1.48 0.00 2.55 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.00 79 K 7.47 3.82 0.00 1.70 1.81 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 80 Q 8.16 3.96 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 81 L 8.30 4.31 0.00 1.76 1.77 1.05 1.08 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 82 G 7.25 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.45 4.53 0.00 1.57 1.90 1.09 1.22 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 84 K 8.84 4.20 0.00 1.84 1.96 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.43 7.81 85 D 7.80 5.17 0.00 3.16 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 86 F 8.75 4.91 0.00 2.59 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 87 S 8.09 4.53 0.00 3.95 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 88 P 0.00 3.84 0.00 1.61 0.49 0.00 3.25 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 89 K 7.79 3.98 0.00 1.78 1.82 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.55 7.81 90 S 7.89 4.38 0.00 4.39 4.47 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 91 Q 8.43 4.26 0.00 2.55 2.42 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 1.65 2.25 0.00 92 D 8.64 4.49 0.00 3.10 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 93 A 8.24 4.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.37 2.39 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 1.03 0.00 0.00 1.51 0.00 0.00 95 A 7.98 4.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.19 3.90 0.00 1.83 1.74 0.94 1.08 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 97 Q 8.23 3.89 0.00 2.20 1.93 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 2.47 2.50 0.00 98 Q 7.86 3.89 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 99 I 8.16 3.84 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.77 0.00 0.00 100 K 8.17 3.95 0.00 1.90 1.97 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 101 E 8.35 4.03 0.00 2.11 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 2.39 2.58 0.00 102 R 7.49 4.29 0.00 1.94 1.97 0.00 3.38 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 1.94 1.78 0.00 103 G 7.89 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 0.00 104 A 7.60 4.31 1.18 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 0.00 105 L 7.62 3.81 0.00 1.66 1.69 0.90 1.01 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 0.00 106 P 0.00 4.22 0.00 2.13 2.08 0.00 3.72 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 2.09 2.15 0.00 107 M 7.87 4.03 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 108 I 7.77 3.63 1.84 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.17 0.93 0.00 0.00 109 D 8.06 4.43 0.00 2.77 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 0.00 110 R 7.86 4.30 0.00 1.98 2.03 0.00 3.27 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 111 G 8.14 4.04 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 0.00 0.00 0.00 112 D 7.52 4.86 0.00 2.64 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 0.00 113 I 7.61 3.79 1.64 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 1.59 -0.00 0.60 0.00 0.00 114 R 7.95 3.92 0.00 1.83 1.99 0.00 3.12 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 115 Q 8.03 3.99 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 116 A 7.60 3.97 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 0.00 117 I 8.25 3.85 2.08 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 1.43 1.68 0.98 0.00 0.00 118 D 8.08 4.41 0.00 2.85 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 0.00 119 R 7.94 4.06 0.00 2.08 2.10 0.00 3.37 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 120 C 8.50 4.49 0.00 3.38 3.48 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 0.00 121 S 8.00 4.28 0.00 4.05 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 0.00 122 N 8.22 4.87 0.00 2.88 2.97 0.00 0.00 5.92 7.81 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 0.00 123 I 8.01 3.83 1.41 0.00 0.00 0.53 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 0.57 -0.86 0.00 0.00 124 W 7.82 4.82 0.00 3.52 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 0.00 125 A 8.81 4.30 1.23 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 0.00 0.00 0.00 126 S 8.06 4.99 0.00 4.28 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 0.00 127 L 7.88 4.61 0.00 2.02 1.74 1.29 1.02 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 0.00 128 P 0.00 4.55 0.00 2.19 2.29 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 129 G 9.67 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 0.00 130 A 7.27 4.18 1.79 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 0.00 131 G 7.96 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.10 4.45 0.00 3.13 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 0.00 133 G 8.28 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.28 4.37 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 135 F 8.66 4.18 0.00 3.15 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 0.00 136 E 8.05 4.85 0.00 1.75 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 2.57 2.52 0.00 137 H 9.36 4.46 0.00 3.20 3.45 0.00 5.64 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 0.00 138 K 8.60 4.54 0.00 1.88 1.74 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.47 7.81 139 A 8.67 4.03 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 0.00 140 D 8.05 4.34 0.00 2.72 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 0.00 141 S 8.02 4.22 0.00 4.21 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 0.00 142 L 8.03 4.09 0.00 1.90 1.69 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.88 3.67 2.00 0.00 0.00 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 1.71 1.11 0.92 0.00 0.00 144 A 7.74 3.95 1.21 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 0.00 0.00 145 K 7.11 3.58 0.00 1.37 1.27 0.00 0.62 0.00 0.00 1.23 0.00 0.00 2.49 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.62 0.21 7.81 146 F 8.16 4.17 0.00 3.16 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 0.00 147 K 8.45 4.47 0.00 2.02 1.83 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.68 7.81 148 E 8.06 4.11 0.00 2.02 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 2.38 2.23 0.00 149 A 7.31 4.24 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 0.00 150 G 7.97 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.42 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 0.00 152 T 8.37 4.76 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 153 V 7.77 4.62 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 0.97 0.00 0.00 1.06 0.00 0.00 154 R 8.56 4.21 0.00 2.01 1.96 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00