NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.0921 8.4449 121.4515 54.8370 31.4413 175.0379 6 L 3.0466 7.5910 116.6704 54.8757 38.1213 170.1312 7 A 4.4187 8.8035 123.7292 50.7559 20.1590 177.4578 8 C 5.0326 8.8574 120.4763 57.7463 40.4380 173.6482 9 Q 4.8826 9.4984 121.0623 53.9702 31.7894 174.1781 10 E 3.8741 9.0566 123.2750 56.3077 30.3528 176.3759 11 I 3.9695 8.4591 128.8724 61.7966 37.0606 176.0880 12 T 4.3280 8.4795 115.5459 61.4405 70.8327 174.4504 13 V 3.5908 7.7074 122.7804 62.5447 31.7439 174.0801 14 P 4.3505 0.0000 0.0000 65.8512 31.3156 177.7436 15 L 3.7094 8.3958 117.6753 57.4862 42.1747 177.2648 16 C 4.7342 7.8836 115.6686 56.9207 40.6916 173.4195 17 K 4.4997 7.8526 118.0346 55.7722 33.9374 176.3601 18 G 3.7585 8.6065 108.7009 47.4265 0.0000 174.0053 19 I 4.4639 8.0486 109.0104 60.1284 38.5821 176.3377 20 G 4.1157 10.2234 109.1250 46.7918 0.0000 172.8900 21 Y 5.0330 7.3540 116.0936 55.9859 40.8119 174.6643 22 E 4.5977 9.1417 118.6165 56.2528 31.9231 174.8605 23 Y 5.2104 8.3273 117.3446 56.5533 42.2327 174.4234 24 T 5.8713 9.4047 116.3888 59.8487 71.7357 171.4847 25 Y 5.3353 7.9132 118.7110 55.7803 41.1892 174.5366 26 M 4.9725 8.6639 118.8350 52.8031 36.1315 173.7295 27 P 5.2652 0.0000 0.0000 62.0776 32.6388 176.1910 28 N 4.7160 8.3332 117.5976 51.5735 39.3938 175.4183 29 Q 3.8047 8.1279 115.0540 58.7244 28.4683 176.8716 30 F 4.6074 7.7245 115.9715 56.9935 39.0170 175.7776 31 N 4.3971 8.2058 116.6737 54.1341 36.5019 173.9514 32 H 4.6699 8.1809 116.5198 56.1064 29.2503 176.1282 33 D 4.6229 9.2441 124.6695 56.1075 41.4331 176.8895 34 T 4.7977 7.4550 108.3139 59.0969 73.2968 174.6106 35 Q 4.0604 8.5728 120.1487 59.0796 28.7192 178.7239 36 D 4.2518 8.0216 119.7270 57.1842 40.5397 178.2113 37 E 3.8466 7.9913 119.7598 59.2513 29.6580 178.7745 38 A 3.8988 8.0907 121.0321 55.0601 18.3938 179.8591 39 G 3.4165 8.6925 104.7884 47.8242 0.0000 175.9115 40 L 3.9026 7.6661 120.4352 57.1606 41.8023 178.9110 41 E 4.2167 7.5360 119.0907 58.9465 29.8259 178.9388 42 V 3.3435 7.3132 119.0096 64.7707 31.3470 177.5573 43 H 4.6043 8.4130 116.1603 57.8029 28.3044 177.0691 44 Q 4.0901 7.9503 119.4497 57.6213 28.8122 177.1186 45 F 4.5105 8.1579 118.2774 56.7999 39.2607 176.9464 46 W 4.0461 8.0989 130.3464 60.3355 30.3722 175.8960 47 P 4.3917 0.0000 0.0000 65.8096 29.2521 178.5632 48 L 4.0353 7.9565 117.1655 57.7968 41.3726 179.6353 49 V 3.8498 7.8308 118.2693 66.0100 31.2144 178.0334 50 E 3.9537 8.0012 117.4959 59.2753 29.3757 179.0627 51 I 3.8279 7.9690 119.0749 61.8203 36.4177 175.7989 52 Q 3.5736 7.9008 118.3816 57.0356 26.0275 173.0247 53 C 4.4953 7.7235 112.7438 57.6632 37.0014 173.6574 54 S 4.8454 7.6291 114.3587 56.2263 64.9656 172.9306 55 P 4.4330 0.0000 0.0000 65.1065 31.4333 176.7170 56 D 4.7247 7.9833 117.9516 55.1124 41.8416 177.9390 57 L 4.1442 8.0272 121.3951 58.1385 42.0206 178.6674 58 K 3.8436 8.0803 118.7899 59.5491 32.1605 178.2343 59 F 4.1181 8.2648 120.3244 61.1460 39.0792 176.4287 60 F 4.0468 8.5624 120.3461 61.3629 39.1511 176.9248 61 L 3.5584 8.0603 118.6446 58.0834 41.3983 179.1189 62 C 4.3023 8.0957 116.4555 59.7925 38.3574 176.1345 63 S 4.0472 7.9275 117.1045 60.0666 62.1290 176.0414 64 M 3.9944 6.8371 120.3258 57.6732 32.4634 177.3891 65 Y 4.4557 7.9640 115.5546 59.0730 39.7750 176.1617 66 T 4.5900 7.8548 109.0131 58.2650 68.6334 171.5556 67 P 4.4281 0.0000 0.0000 62.9022 32.7912 177.1299 68 I 3.9770 8.0977 122.3550 62.0856 37.5968 175.7616 69 C 5.2618 9.0873 126.6688 54.8648 45.8126 173.1495 70 L 5.0568 8.6456 125.0026 52.8437 44.5745 176.4683 71 E 4.1250 8.7251 120.5598 59.0244 29.9078 178.2914 72 D 4.4364 8.0783 117.2568 55.6871 40.2411 176.0719 73 Y 4.2435 7.9489 123.3946 56.5395 39.2604 176.2187 74 K 4.4049 7.8815 130.5004 54.0945 31.5903 175.7592 75 K 4.2892 6.6606 117.7958 54.0638 35.5094 173.2546 76 P 4.4487 0.0000 0.0000 62.9699 31.6904 176.5109 77 L 4.7027 8.2866 124.4456 52.2709 42.1141 173.8726 78 P 4.7153 0.0000 0.0000 60.9957 33.2547 174.0675 79 P 5.0359 0.0000 0.0000 62.9648 32.3967 176.8958 80 C 4.7074 9.1045 119.2062 56.6382 39.9787 174.7094 81 R 3.8053 9.2176 121.8829 59.8938 29.5193 178.9445 82 S 4.0769 8.1139 113.4181 61.4535 62.7746 176.6084 83 V 3.5354 7.7352 121.5424 65.8910 31.3394 177.1745 84 C 3.0726 7.9112 117.5706 59.4073 43.6653 175.1399 85 E 3.7157 8.3041 120.4825 59.3731 28.9862 179.6964 86 R 3.7826 7.9550 117.8379 59.0414 30.1618 178.9246 87 A 4.3345 7.7583 121.8871 54.4373 18.4060 179.6158 88 K 2.4800 7.8049 118.1891 59.0197 31.8966 178.8486 89 A 4.0435 7.6688 120.0006 55.0360 18.2803 179.4162 90 G 3.7506 7.7046 104.5073 46.2196 0.0000 174.4945 91 C 4.9341 8.1469 117.0096 57.3824 41.3788 175.9627 92 A 4.2427 8.1959 123.1118 54.8923 17.9319 177.6829 93 P 4.2269 0.0000 0.0000 65.6959 31.3060 178.4604 94 L 4.0765 8.0050 118.4432 58.5273 42.1026 178.6914 95 M 4.2406 8.1906 118.4034 58.7754 31.8951 179.0412 96 R 4.3389 8.5377 119.7280 58.7038 29.9451 178.7589 97 Q 3.8774 8.0225 119.2561 59.0274 29.0701 176.5818 98 Y 4.4008 7.7861 112.3738 57.8499 38.0905 176.0191 99 G 3.8655 8.8562 108.5173 45.3406 0.0000 173.3677 100 F 4.7198 8.5419 117.4284 55.1583 41.8063 175.1029 101 A 4.5371 8.4730 127.2455 50.3624 19.9935 176.8242 102 W 4.4643 8.7703 129.8029 56.7132 31.4175 174.2256 103 P 4.2408 0.0000 0.0000 62.9863 31.5761 176.6226 104 D 4.4639 8.9531 122.0338 57.5001 41.3528 178.5929 105 R 4.0806 8.0288 116.5990 58.9851 30.1530 177.0185 106 M 4.6951 7.7584 116.1282 54.7237 32.0458 176.2525 107 R 4.3213 7.9334 116.3990 57.0318 30.0238 176.3576 108 C 4.5834 9.0344 118.8362 59.4267 40.7426 175.5326 109 D 4.2135 8.2460 118.4619 55.7033 38.9080 177.1599 110 R 4.3118 7.9437 114.0075 56.4279 30.2334 175.9838 111 L 4.7020 7.5706 119.5781 53.1779 43.1081 175.0014 112 P 4.5510 0.0000 0.0000 63.0173 33.1633 175.1821 113 E 4.8270 8.5289 120.1556 54.7597 32.1173 175.7024 114 Q 4.1523 8.4638 120.7803 57.6011 29.2084 177.3874 115 G 3.9776 8.8936 110.3033 45.0801 0.0000 173.4265 116 N 4.5328 7.5969 116.8199 52.1771 37.7897 173.4749 117 P 4.5684 0.0000 0.0000 63.6639 32.2573 176.0845 118 D 4.7579 8.3819 118.0816 55.8416 42.2568 176.7341 119 T 4.7430 8.6489 113.6696 61.3201 71.9309 173.9187 120 L 4.2694 8.5325 125.5821 54.8457 42.4187 175.1153 121 C 5.2700 8.3722 115.7837 54.1578 46.3583 172.6701 122 M 4.8291 9.0097 119.6419 53.7669 34.2578 175.0701 123 D 4.5739 8.4708 122.9666 53.3194 43.1110 174.6041 124 Y 4.3909 8.4000 124.9840 60.5493 38.3025 176.1847 125 E 4.4259 8.4167 119.5121 55.2779 30.6234 176.3859 126 R 4.1800 8.4185 121.9764 56.4623 30.4005 175.0417 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 5 E 8.44 4.09 0.00 1.88 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 2.17 2.37 0.00 6 L 7.59 3.05 0.00 1.72 1.47 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.80 4.42 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 8 C 8.86 5.03 0.00 2.99 3.19 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 9 Q 9.50 4.88 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 10 E 9.06 3.87 0.00 1.84 1.84 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 2.13 1.96 0.00 11 I 8.46 3.97 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.84 0.00 0.00 12 T 8.48 4.33 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 1.26 0.00 0.00 13 V 7.71 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 14 P 0.00 4.35 0.00 2.47 2.34 0.00 3.86 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 2.16 2.18 0.00 15 L 8.40 3.71 0.00 1.63 1.78 0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.88 4.73 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.85 4.50 0.00 1.68 1.67 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.35 7.81 18 G 8.61 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 19 I 8.05 4.46 2.07 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.28 0.89 0.00 0.00 20 G 10.22 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 21 Y 7.35 5.03 0.00 3.32 3.17 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 22 E 9.14 4.60 0.00 1.79 1.60 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 2.23 2.29 0.00 23 Y 8.33 5.21 0.00 3.23 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.40 5.87 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 25 Y 7.91 5.34 0.00 2.92 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 26 M 8.66 4.97 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 27 P 0.00 5.27 0.00 2.22 2.10 0.00 3.43 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 28 N 8.33 4.72 0.00 2.76 2.91 0.00 0.00 5.81 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.13 3.80 0.00 1.76 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.14 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 30 F 7.72 4.61 0.00 2.80 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 31 N 8.21 4.40 0.00 2.94 2.99 0.00 0.00 6.93 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 32 H 8.18 4.67 0.00 3.41 3.27 0.00 5.63 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 33 D 9.24 4.62 0.00 2.69 2.76 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 34 T 7.46 4.80 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 1.23 0.00 0.00 35 Q 8.57 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 36 D 8.02 4.25 0.00 2.67 2.68 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 37 E 7.99 3.85 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 38 A 8.09 3.90 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 39 G 8.69 3.42 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 0.00 40 L 7.67 3.90 0.00 1.74 1.68 0.87 0.71 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 41 E 7.54 4.22 0.00 1.96 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 2.17 2.24 0.00 42 V 7.31 3.34 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 0.74 0.00 0.00 0.69 0.00 0.00 43 H 8.41 4.60 0.00 3.32 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.95 4.09 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 45 F 8.16 4.51 0.00 3.20 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 W 8.10 4.05 0.00 3.62 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 47 P 0.00 4.39 0.00 2.17 2.09 0.00 3.78 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 48 L 7.96 4.04 0.00 2.01 1.87 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.83 3.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 50 E 8.00 3.95 0.00 2.20 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 2.28 2.38 0.00 51 I 7.97 3.83 2.04 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 1.55 0.70 0.95 0.00 0.00 52 Q 7.90 3.57 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 53 C 7.72 4.50 0.00 3.40 3.41 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 54 S 7.63 4.85 0.00 3.83 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 55 P 0.00 4.43 0.00 2.25 2.19 0.00 3.82 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 2.01 2.00 0.00 56 D 7.98 4.72 0.00 2.77 2.84 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 57 L 8.03 4.14 0.00 1.93 1.76 1.23 0.46 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 58 K 8.08 3.84 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.37 7.81 59 F 8.26 4.12 0.00 3.24 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 60 F 8.56 4.05 0.00 3.29 3.36 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 61 L 8.06 3.56 0.00 1.52 1.45 0.55 -0.08 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 62 C 8.10 4.30 0.00 2.91 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 63 S 7.93 4.05 0.00 3.58 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 64 M 6.84 3.99 0.00 1.68 1.86 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.13 0.00 65 Y 7.96 4.46 0.00 2.89 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 66 T 7.85 4.59 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 1.23 0.00 0.00 67 P 0.00 4.43 0.00 1.74 1.96 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.13 0.00 68 I 8.10 3.98 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.77 0.00 0.00 69 C 9.09 5.26 0.00 3.18 3.17 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 70 L 8.65 5.06 0.00 1.96 1.78 0.98 1.06 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 71 E 8.73 4.12 0.00 1.93 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 2.17 2.13 0.00 72 D 8.08 4.44 0.00 2.83 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 73 Y 7.95 4.24 0.00 2.86 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.88 4.40 0.00 1.60 1.58 0.00 1.82 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.26 7.81 75 K 6.66 4.29 0.00 1.19 0.74 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.31 7.81 76 P 0.00 4.45 0.00 2.10 2.08 0.00 3.59 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 77 L 8.29 4.70 0.00 1.74 1.61 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.72 0.00 2.18 2.17 0.00 3.98 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 79 P 0.00 5.04 0.00 2.39 2.18 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 80 C 9.10 4.71 0.00 2.94 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 9.22 3.81 0.00 2.03 1.95 0.00 3.10 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 82 S 8.11 4.08 0.00 4.06 4.10 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 0.00 0.00 0.00 83 V 7.74 3.54 2.34 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 1.27 0.00 0.00 1.12 0.00 0.00 84 C 7.91 3.07 0.00 2.72 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 85 E 8.30 3.72 0.00 2.02 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 2.45 2.43 0.00 86 R 7.96 3.78 0.00 1.95 1.92 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 87 A 7.76 4.33 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 88 K 7.80 2.48 0.00 0.79 1.31 0.00 1.04 0.00 0.00 1.26 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.75 0.21 7.81 89 A 7.67 4.04 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 90 G 7.70 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 0.00 0.00 0.00 91 C 8.15 4.93 0.00 3.35 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.20 4.24 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 93 P 0.00 4.23 0.00 2.20 2.14 0.00 3.56 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 2.21 2.14 0.00 94 L 8.00 4.08 0.00 1.86 1.98 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 95 M 8.19 4.24 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.69 0.00 96 R 8.54 4.34 0.00 2.08 2.05 0.00 3.22 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 97 Q 8.02 3.88 0.00 2.02 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 1.84 2.16 0.00 98 Y 7.79 4.40 0.00 3.44 3.23 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 99 G 8.86 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 0.00 0.00 0.00 100 F 8.54 4.72 0.00 3.19 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 0.00 101 A 8.47 4.54 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 0.00 102 W 8.77 4.46 0.00 3.38 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 0.00 103 P 0.00 4.24 0.00 2.04 1.96 0.00 2.70 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 2.15 2.03 0.00 104 D 8.95 4.46 0.00 2.81 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 0.00 105 R 8.03 4.08 0.00 1.75 1.87 0.00 3.02 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 106 M 7.76 4.70 0.00 2.24 1.60 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.49 0.00 107 R 7.93 4.32 0.00 2.19 2.16 0.00 3.44 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 108 C 9.03 4.58 0.00 3.01 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 0.00 109 D 8.25 4.21 0.00 2.81 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 0.00 110 R 7.94 4.31 0.00 1.97 2.12 0.00 3.08 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 111 L 7.57 4.70 0.00 1.75 1.83 1.16 1.12 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 0.00 112 P 0.00 4.55 0.00 2.14 2.19 0.00 3.72 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 2.10 2.03 0.00 113 E 8.53 4.83 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 114 Q 8.46 4.15 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 115 G 8.89 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 0.00 116 N 7.60 4.53 0.00 2.87 3.02 0.00 0.00 6.91 7.31 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 0.00 117 P 0.00 4.57 0.00 2.20 2.20 0.00 3.74 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 1.97 1.98 0.00 118 D 8.38 4.76 0.00 2.77 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 0.00 119 T 8.65 4.74 4.27 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 1.27 0.00 0.00 120 L 8.53 4.27 0.00 1.58 1.50 0.64 0.82 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 0.00 121 C 8.37 5.27 0.00 3.10 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 0.00 122 M 9.01 4.83 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 123 D 8.47 4.57 0.00 2.65 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 0.00 124 Y 8.40 4.39 0.00 2.86 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 0.00 125 E 8.42 4.43 0.00 2.07 1.88 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 2.33 2.39 0.00 126 R 8.42 4.18 0.00 1.72 1.74 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00