NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9452 8.0549 120.3928 62.4638 32.6103 175.0685 2 L 4.2154 8.3384 126.1885 52.3471 41.3852 176.0419 3 S 4.5773 9.2923 122.7140 56.9464 67.0838 174.2373 4 A 3.8745 8.4136 121.9159 55.3776 18.0310 179.5067 5 A 3.9218 7.9380 118.7428 55.3295 18.4325 179.4299 6 D 4.2727 7.8356 117.4206 57.4372 40.9700 178.8825 7 K 3.8230 8.8040 119.4611 59.7649 32.3017 179.3119 8 A 4.0901 8.3293 120.4694 54.6533 18.2336 179.3658 9 N 4.3479 8.1373 115.6752 56.2779 38.5994 177.5000 10 V 3.4949 7.9990 119.9505 65.6334 31.5714 177.8365 11 K 3.8978 8.1488 117.7530 59.8320 31.9249 179.2418 12 A 4.0672 7.7636 117.9176 54.4017 18.5631 178.7249 13 A 4.3383 7.7126 118.7880 54.1140 19.5015 179.3752 14 W 4.2728 9.1585 127.8206 60.3943 30.5498 178.2402 15 G 3.8270 8.5944 106.2586 48.0840 0.0000 175.6549 16 K 4.0116 7.4356 118.7766 59.0712 32.4935 178.9133 17 V 3.4411 7.4459 118.7292 64.8484 31.1857 176.5959 18 G 3.6606 7.9931 105.9039 46.8394 0.0000 177.3797 19 G 3.5779 8.6374 110.0294 47.1075 0.0000 174.4335 20 Q 4.0177 7.7573 118.4732 57.9796 28.5472 178.4724 21 A 3.6678 7.3009 122.5076 54.9853 18.4082 179.8609 22 G 3.5087 8.0201 103.4235 48.0165 0.0000 175.7118 23 A 4.0622 7.8558 122.9213 54.7311 18.2660 178.8431 24 H 4.5402 8.5286 114.5792 57.8343 28.8592 178.0837 25 G 3.6558 8.1276 107.9604 47.4690 0.0000 175.8803 26 A 3.9524 8.0081 123.1680 54.7671 18.4863 179.0211 27 E 3.7533 8.0052 117.4791 59.5093 29.6156 178.6508 28 A 3.9109 7.5816 120.4176 55.3793 18.3470 179.2628 29 L 3.4962 7.4447 116.9585 58.0921 41.9014 179.3796 30 E 3.8851 8.3737 119.1791 59.6354 29.4169 179.2532 31 R 3.9882 8.3617 118.3516 58.9796 30.0606 178.5580 32 M 4.1440 8.1988 118.5106 58.9334 32.1139 178.1483 33 F 4.6370 7.6994 116.5834 60.6964 39.1026 177.4768 34 L 4.3408 7.4838 116.5894 57.5799 41.8456 179.3200 35 G 3.2711 8.1387 104.5473 46.0106 0.0000 173.8572 36 F 5.0207 8.2193 119.6992 53.5334 40.0454 172.8943 37 P 4.5046 0.0000 0.0000 65.7976 31.2561 177.2575 38 T 4.1218 8.1370 106.2154 63.7931 68.6022 174.8631 39 T 4.6831 8.2430 112.2428 62.4611 69.5494 176.1514 40 K 4.0497 8.7328 122.7858 59.0928 32.4446 177.6923 41 T 3.9501 8.0242 109.4469 64.9927 68.8980 175.5560 42 Y 3.7647 7.6930 116.6457 59.2272 38.3666 176.9678 43 F 4.6738 7.9969 119.2217 55.8433 40.2490 173.1186 44 P 4.5171 0.0000 0.0000 63.5691 32.1120 177.2777 45 H 4.7888 8.0793 113.4390 55.6865 29.3632 174.6667 46 F 4.9126 7.4345 118.7573 57.0780 40.1297 175.0286 47 N 4.5804 9.1798 116.5350 54.5453 38.9384 177.8172 48 L 3.7136 6.3237 118.6793 56.7637 37.8762 173.1633 49 S 4.7754 7.5167 113.2864 56.2122 65.6774 173.2008 50 H 5.0163 8.1664 119.8612 56.0421 27.7689 171.1784 51 G 3.9025 8.7350 118.8036 44.9335 0.0000 171.0513 52 S 4.6134 8.2123 118.2330 56.9235 66.3739 175.9724 53 D 4.1597 8.0314 122.3396 56.7686 42.3366 178.1027 54 Q 3.5330 7.5897 118.3471 58.8791 28.4888 178.8381 55 V 3.3743 7.5861 118.7262 65.9813 31.5359 178.2152 56 K 4.1965 7.9227 117.4888 59.2052 32.5907 178.8439 57 A 3.9538 8.1136 122.3923 55.1335 18.2907 179.1682 58 H 4.4289 9.0740 117.6204 59.3669 29.9735 177.3331 59 G 3.7761 8.4692 107.9388 48.2409 0.0000 174.8841 60 Q 3.9554 8.0404 121.5814 59.0112 29.2391 179.1568 61 K 4.1735 7.7545 118.6886 59.4212 32.1785 179.4770 62 V 3.6208 7.9145 118.3430 66.0336 31.2459 177.8977 63 A 4.3368 8.4720 120.3216 54.7678 18.1423 178.8702 64 D 4.6272 8.1872 117.0644 56.3678 41.2425 178.8213 65 A 4.0038 7.9308 121.0106 55.1082 18.4280 179.3828 66 L 3.9144 7.7650 117.0332 58.4706 41.5066 180.0455 67 T 3.8138 7.5253 112.7795 66.2032 68.6146 176.5493 68 K 4.1420 8.1382 121.6304 59.4479 32.0212 178.4389 69 A 3.9963 8.2264 121.2824 55.5178 18.1657 179.6384 70 V 3.1305 8.5291 115.9464 65.3837 31.4686 177.3931 71 G 4.1452 7.8509 102.5377 44.8099 0.0000 173.4968 72 H 5.0692 9.2989 118.5749 55.3278 30.6952 175.3323 73 L 4.0092 8.5265 122.2051 58.3553 41.6057 178.5882 74 D 4.5270 8.1618 116.8593 57.2078 40.8666 176.4010 75 D 4.6870 8.1495 118.0557 52.8098 41.9469 174.5217 76 L 4.0949 8.4112 124.0818 57.1813 42.1436 177.6447 77 P 4.1714 0.0000 0.0000 65.8218 31.7137 178.5035 78 G 3.4460 8.1988 105.2604 48.8577 0.0000 176.1566 79 A 4.4653 7.3941 121.4864 51.4482 17.9035 178.4451 80 L 4.3952 8.2176 117.0826 56.7880 44.5939 176.9651 81 S 4.0295 7.6603 114.0323 62.6284 63.0454 175.7518 82 A 3.6979 8.3876 120.9577 55.2258 17.7344 179.0766 83 L 3.9195 7.9107 114.4918 57.7212 42.3241 180.0297 84 S 3.9196 7.8637 114.5456 61.2060 62.2251 175.4393 85 D 4.3694 8.5481 119.0247 54.8899 41.1541 177.1782 86 L 4.2787 8.0042 120.0314 57.3451 42.4447 177.1387 87 H 4.7659 8.2338 114.4753 55.5865 29.6753 175.1395 88 A 4.3936 7.3691 124.3337 51.4854 18.8518 176.5725 89 H 4.5276 7.4225 124.4966 58.1967 35.0562 176.6943 90 K 4.1316 8.3902 119.1002 59.5935 32.1497 178.8311 91 L 4.2744 7.9061 116.3626 54.6356 42.3113 176.9574 92 R 3.9254 8.1864 116.3771 56.8061 27.6405 176.9814 93 V 3.7674 8.1853 117.2730 62.7782 31.7477 174.7130 94 D 4.4485 8.8507 127.4083 54.8836 41.6356 175.4523 95 P 4.5935 0.0000 0.0000 65.9877 31.1481 177.9236 96 V 3.9094 7.8578 114.8594 64.2731 31.5494 176.8978 97 N 4.3946 8.3343 115.7992 55.8394 38.6594 176.9026 98 F 4.0814 7.7485 118.9684 59.7857 38.8424 177.8306 99 K 4.0586 7.6296 117.4072 59.1782 31.7246 179.0159 100 L 3.8899 7.6131 118.0683 56.4715 41.5612 178.5089 101 L 4.0237 7.7090 120.1261 57.2979 41.9989 178.8873 102 S 4.0972 8.0550 115.0864 61.9628 62.8544 175.4839 103 H 4.1284 7.9601 120.4678 60.2444 29.5823 176.5010 104 C 4.1009 7.9408 117.6085 62.8794 27.9941 176.1426 105 L 4.0806 7.7885 121.7113 57.8663 41.6412 179.0498 106 L 4.1237 8.2434 119.5033 57.8235 41.4016 179.6075 107 V 3.5554 8.2614 118.4281 65.7394 31.4063 178.3992 108 T 3.8728 7.8479 115.8052 66.4134 68.3996 176.6610 109 L 3.8287 8.2576 120.9476 57.9736 41.5241 179.5690 110 A 3.2672 7.2770 118.6063 54.7923 18.1214 179.2070 111 A 3.9672 7.2742 118.4537 55.2932 18.5756 179.0830 112 H 4.4205 7.7525 113.4838 57.2645 29.9801 175.7359 113 H 5.0465 8.4693 116.4914 53.9288 28.3826 173.4039 114 P 4.4014 0.0000 0.0000 65.0910 31.1079 176.4082 115 D 4.8798 8.4099 119.0157 54.8818 42.9192 176.8646 116 D 4.4634 8.1082 117.5033 56.3054 42.1892 176.8271 117 F 4.4678 8.0218 121.3652 58.2073 37.2675 174.1807 118 N 4.7293 7.5521 121.9972 51.4844 40.4036 173.9638 119 P 4.0728 0.0000 0.0000 66.2503 31.2616 179.0704 120 S 4.0706 8.5769 114.0490 61.4678 62.8247 176.7939 121 V 3.5346 7.8566 120.4823 66.1523 31.2229 177.1587 122 H 3.5774 8.0866 118.0984 58.8113 29.4602 176.7221 123 A 3.9656 7.9288 122.1387 55.6951 18.3727 179.5139 124 S 4.3676 8.6923 113.5873 61.6349 63.0554 176.4487 125 L 4.3424 8.4094 120.6250 56.1416 41.3969 177.7204 126 D 4.7650 8.1502 117.7202 55.1729 41.4095 177.2166 127 K 4.4087 7.7392 117.9300 58.7379 33.1750 177.4508 128 F 4.4505 8.1708 122.2675 60.4670 39.3474 176.5576 129 L 3.7874 8.1299 117.0580 57.8028 41.5136 179.8996 130 A 3.9024 7.4252 120.9002 55.1566 18.6101 179.3304 131 N 4.3076 8.5003 114.9720 55.0137 37.4091 177.5077 132 V 3.4314 7.8781 121.9699 65.8738 31.3619 177.7771 133 S 3.7004 7.4477 113.5468 61.8818 62.9380 176.2261 134 T 3.8925 7.9724 118.4683 66.8131 68.0257 176.4539 135 V 3.4991 6.9970 118.5008 66.0527 31.5623 177.5396 136 L 4.5705 7.0429 115.4731 54.4706 42.2835 177.7386 137 T 4.3114 7.6705 115.0836 62.7478 69.0243 172.3126 138 S 4.5588 6.5490 115.9235 59.0220 66.4398 177.7859 139 K 4.2938 8.0231 119.9655 59.3858 32.7149 180.0176 140 Y 4.2773 7.6088 115.1344 62.9747 37.9189 175.9773 141 R 4.2310 7.7271 120.8555 56.7696 30.8509 176.0397 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 3.95 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 0.99 0.00 0.00 0.93 0.00 0.00 2 L 8.34 4.22 0.00 1.79 1.65 1.11 0.69 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 3 S 9.29 4.58 0.00 4.04 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 4 A 8.41 3.87 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 5 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 6 D 7.84 4.27 0.00 2.93 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 7 K 8.80 3.82 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 8 A 8.33 4.09 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 9 N 8.14 4.35 0.00 3.04 2.85 0.00 0.00 6.46 7.14 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 10 V 8.00 3.49 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 0.32 0.00 0.00 0.81 0.00 0.00 11 K 8.15 3.90 0.00 1.83 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.42 7.81 12 A 7.76 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 14 W 9.16 4.27 0.00 3.33 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 15 G 8.59 3.83 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 0.00 0.00 0.00 16 K 7.44 4.01 0.00 2.04 1.89 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 V 7.45 3.44 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 0.19 0.00 0.00 0.63 0.00 0.00 18 G 7.99 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 0.00 0.00 0.00 19 G 8.64 3.58 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 0.00 0.00 0.00 20 Q 7.76 4.02 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 21 A 7.30 3.67 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 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 23 A 7.86 4.06 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 24 H 8.53 4.54 0.00 3.25 3.31 0.00 5.81 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 25 G 8.13 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 0.00 0.00 0.00 26 A 8.01 3.95 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 27 E 8.01 3.75 0.00 2.25 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 28 A 7.58 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.44 3.50 0.00 1.63 1.12 0.93 0.82 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 30 E 8.37 3.89 0.00 1.97 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 2.27 2.40 0.00 31 R 8.36 3.99 0.00 1.98 1.89 0.00 3.12 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 32 M 8.20 4.14 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.70 0.00 33 F 7.70 4.64 0.00 3.05 2.98 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 34 L 7.48 4.34 0.00 1.83 1.67 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.14 3.27 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 0.00 36 F 8.22 5.02 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 37 P 0.00 4.50 0.00 2.22 2.18 0.00 3.71 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 2.16 2.21 0.00 38 T 8.14 4.12 4.35 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 1.28 0.00 0.00 39 T 8.24 4.68 4.44 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 1.37 0.00 0.00 40 K 8.73 4.05 0.00 1.78 2.03 0.00 1.66 0.00 0.00 1.53 0.00 0.00 3.13 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.22 7.81 41 T 8.02 3.95 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 1.18 0.00 0.00 42 Y 7.69 3.76 0.00 2.87 2.49 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 0.00 0.00 0.00 0.00 43 F 8.00 4.67 0.00 2.68 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 0.00 0.00 0.00 44 P 0.00 4.52 0.00 2.18 2.13 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 45 H 8.08 4.79 0.00 3.41 3.46 0.00 5.52 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 46 F 7.43 4.91 0.00 2.95 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 47 N 9.18 4.58 0.00 2.88 2.82 0.00 0.00 6.92 6.74 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 48 L 6.32 3.71 0.00 1.59 1.69 0.34 0.45 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 49 S 7.52 4.78 0.00 3.75 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 50 H 8.17 5.02 0.00 3.17 3.14 0.00 5.78 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 51 G 8.74 3.90 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 0.00 0.00 0.00 52 S 8.21 4.61 0.00 3.96 3.89 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 53 D 8.03 4.16 0.00 2.68 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 54 Q 7.59 3.53 0.00 1.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 55 V 7.59 3.37 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 1.14 0.00 0.00 1.07 0.00 0.00 56 K 7.92 4.20 0.00 2.01 2.02 0.00 1.54 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.63 1.48 7.81 57 A 8.11 3.95 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 58 H 9.07 4.43 0.00 3.36 3.49 0.00 5.81 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 59 G 8.47 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 0.00 0.00 0.00 60 Q 8.04 3.96 0.00 2.05 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 61 K 7.75 4.17 0.00 2.02 1.90 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.76 7.81 62 V 7.91 3.62 2.19 0.00 0.00 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 0.90 0.00 0.00 63 A 8.47 4.34 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.19 4.63 0.00 3.00 2.77 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 65 A 7.93 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 66 L 7.77 3.91 0.00 1.71 1.40 0.96 0.81 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 67 T 7.53 3.81 4.54 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 1.37 0.00 0.00 68 K 8.14 4.14 0.00 1.87 2.12 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 69 A 8.23 4.00 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.53 3.13 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 0.80 0.00 0.00 -0.13 0.00 0.00 71 G 7.85 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 9.30 5.07 0.00 2.89 3.20 0.00 5.68 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 73 L 8.53 4.01 0.00 1.65 1.82 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.16 4.53 0.00 2.66 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 75 D 8.15 4.69 0.00 2.54 2.53 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 76 L 8.41 4.09 0.00 1.70 1.62 0.87 1.03 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 77 P 0.00 4.17 0.00 2.14 2.08 0.00 3.69 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 2.08 0.00 78 G 8.20 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 0.00 0.00 0.00 79 A 7.39 4.47 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 80 L 8.22 4.40 0.00 1.78 1.45 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.66 4.03 0.00 3.79 3.89 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 82 A 8.39 3.70 1.26 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 0.00 0.00 0.00 83 L 7.91 3.92 0.00 1.65 1.75 0.93 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 84 S 7.86 3.92 0.00 3.99 3.75 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 85 D 8.55 4.37 0.00 2.62 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 86 L 8.00 4.28 0.00 1.85 1.79 0.95 0.83 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 87 H 8.23 4.77 0.00 3.14 3.49 0.00 5.83 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 88 A 7.37 4.39 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 7.42 4.53 0.00 3.10 3.22 0.00 5.91 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.39 4.13 0.00 1.92 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.48 7.81 91 L 7.91 4.27 0.00 1.78 1.75 0.83 1.03 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 92 R 8.19 3.93 0.00 2.01 2.11 0.00 3.56 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 93 V 8.19 3.77 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 0.23 0.00 0.00 1.09 0.00 0.00 94 D 8.85 4.45 0.00 2.88 2.65 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 95 P 0.00 4.59 0.00 2.27 2.25 0.00 3.69 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.50 0.00 96 V 7.86 3.91 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 0.98 0.00 0.00 0.93 0.00 0.00 97 N 8.33 4.39 0.00 2.34 2.40 0.00 0.00 6.95 8.43 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 98 F 7.75 4.08 0.00 3.05 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.63 4.06 0.00 1.98 1.79 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 L 7.61 3.89 0.00 1.38 0.67 0.56 -0.07 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 0.00 101 L 7.71 4.02 0.00 1.72 1.61 0.88 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 0.00 102 S 8.05 4.10 0.00 3.99 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 0.00 103 H 7.96 4.13 0.00 3.14 3.43 0.00 5.62 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 0.00 104 C 7.94 4.10 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.79 4.08 0.00 1.97 1.87 1.09 1.19 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 0.00 106 L 8.24 4.12 0.00 2.14 1.84 1.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.26 3.56 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 0.96 0.00 0.00 0.87 0.00 0.00 108 T 7.85 3.87 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 1.23 0.00 0.00 109 L 8.26 3.83 0.00 1.89 1.73 1.14 1.45 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 0.00 110 A 7.28 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.27 3.97 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 0.00 112 H 7.75 4.42 0.00 2.98 3.30 0.00 5.60 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 0.00 113 H 8.47 5.05 0.00 3.22 3.41 0.00 5.30 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.40 0.00 2.22 2.33 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 115 D 8.41 4.88 0.00 2.64 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 0.00 116 D 8.11 4.46 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 4.47 0.00 2.95 3.02 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 0.00 118 N 7.55 4.73 0.00 3.01 2.91 0.00 0.00 6.06 7.76 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 0.00 119 P 0.00 4.07 0.00 2.14 2.14 0.00 3.57 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 2.21 0.00 120 S 8.58 4.07 0.00 3.97 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 0.00 121 V 7.86 3.53 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 122 H 8.09 3.58 0.00 2.31 3.20 0.00 5.67 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 0.00 123 A 7.93 3.97 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 0.00 124 S 8.69 4.37 0.00 3.99 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 0.00 125 L 8.41 4.34 0.00 1.83 1.88 1.17 0.94 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 0.00 126 D 8.15 4.77 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.74 4.41 0.00 1.99 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 F 8.17 4.45 0.00 2.98 2.98 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 0.00 129 L 8.13 3.79 0.00 1.81 1.71 1.08 1.06 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 0.00 130 A 7.43 3.90 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.31 0.00 2.90 3.05 0.00 0.00 6.75 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.88 3.43 1.63 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 0.71 0.00 0.00 -0.15 0.00 0.00 133 S 7.45 3.70 0.00 4.02 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 0.00 134 T 7.97 3.89 4.14 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 1.15 0.00 0.00 135 V 7.00 3.50 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 0.69 0.00 0.00 0.90 0.00 0.00 136 L 7.04 4.57 0.00 1.02 1.08 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.67 4.31 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 1.36 0.00 0.00 138 S 6.55 4.56 0.00 3.89 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 0.00 139 K 8.02 4.29 0.00 1.73 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.31 7.81 140 Y 7.61 4.28 0.00 3.24 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 0.00 141 R 7.73 4.23 0.00 1.97 1.92 0.00 3.37 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00