NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4578 8.3044 118.1951 55.1101 32.5629 174.3779 1 V 4.2455 7.9633 119.4971 60.7506 34.4752 173.5580 2 L 4.3462 8.2911 127.2602 53.9540 43.7449 176.7280 3 S 4.5857 8.6931 117.0800 57.4784 65.5286 175.0711 4 E 4.2794 8.8175 122.7788 59.5847 29.3603 179.1288 5 G 3.6491 8.1105 105.2211 47.9554 0.0000 175.3788 6 E 3.9542 7.9756 121.0490 58.8595 29.3985 179.4645 7 W 4.3592 8.1358 119.1041 59.8097 28.9988 178.5821 8 Q 4.1395 8.6223 118.4079 59.0500 28.0428 178.8134 9 L 4.0605 7.9831 119.9900 57.6848 41.6096 179.8613 10 V 3.7811 7.8910 118.0952 66.2598 31.7528 178.2767 11 L 4.2907 8.6446 118.9017 57.6001 40.8864 179.1247 12 H 4.2627 8.7238 119.3588 59.3260 30.0300 177.7251 13 V 3.3675 7.7660 120.9741 64.2769 31.3841 178.0981 14 W 3.9769 8.4822 128.9371 59.9275 30.2526 177.8284 15 A 4.0312 7.8122 120.2247 55.0077 18.2014 179.4268 16 K 3.9307 7.3562 116.7784 59.3979 32.0454 179.7277 17 V 2.8246 7.0412 118.0850 65.6645 31.0804 177.6354 18 E 3.9339 7.5320 115.9764 58.0319 29.3240 178.5303 19 A 4.1805 7.3864 120.2889 53.9540 20.1144 177.6912 20 D 4.6653 7.7272 116.1806 52.2323 42.9483 175.5278 21 V 3.4365 7.8732 123.2214 65.5879 32.0621 176.6918 22 A 4.0528 7.9990 120.0935 55.2338 18.4176 179.7367 23 G 3.8864 8.0836 105.0185 47.8076 0.0000 175.5536 24 H 4.1911 8.3754 118.8362 58.4046 28.6726 178.1883 25 G 3.5851 8.3964 107.9890 47.6633 0.0000 175.8485 26 Q 3.8877 7.9643 120.3002 58.8165 28.7932 178.3306 27 D 4.3106 7.7728 119.4546 57.5816 40.9258 179.1689 28 I 3.6323 7.6380 119.8045 64.4707 37.1139 178.6025 29 L 3.4832 7.7130 119.6913 57.6233 41.3408 179.7328 30 I 3.7081 7.7021 119.8395 64.0768 36.9532 178.3896 31 R 3.7735 7.9373 119.6555 59.2387 29.8901 178.2965 32 L 3.8653 7.6989 119.9527 58.3578 42.0625 179.0779 33 F 4.5916 7.8520 117.5854 60.2668 38.5112 177.8587 34 K 4.0423 7.8828 117.5848 59.3656 32.1788 179.2410 35 S 4.2435 7.9944 114.3884 60.5288 64.1967 174.6044 36 H 4.7659 8.1438 118.2533 51.8399 29.4857 171.6855 37 P 4.7461 0.0000 0.0000 64.7021 31.4953 177.5233 38 E 4.1068 8.2652 116.1997 59.5648 29.5064 179.1458 39 T 3.7809 8.0627 110.7920 64.5324 68.7224 176.1917 40 L 3.8233 8.0103 123.0828 57.8724 41.7686 178.7252 41 E 4.1215 7.9916 117.7710 59.0377 29.4246 178.9143 42 K 4.4004 8.1755 117.1150 57.0665 32.5243 176.8093 43 F 4.5521 8.0726 118.8690 55.5907 38.9184 176.0415 44 D 4.3871 8.4850 126.7959 57.1692 40.6794 178.5992 45 R 3.9438 7.7173 117.6356 58.1395 30.4009 177.6916 46 F 5.0692 7.5010 114.8756 57.3686 39.6347 177.4324 47 K 3.8756 8.1561 118.9980 59.7880 31.9986 177.5918 48 H 4.3010 8.2970 112.2740 57.1750 28.8562 175.1868 49 L 3.9802 7.6296 120.8816 54.5966 40.8784 176.8320 50 K 4.1358 9.1575 125.5652 58.3563 32.5891 177.9663 51 T 4.7189 7.4772 107.2775 58.8942 73.2322 174.2512 52 E 3.8782 8.6036 120.6854 59.3156 29.6389 178.4809 53 A 4.0049 7.9093 120.3659 55.2490 18.2771 179.3334 54 E 3.9239 7.6568 115.4728 59.7136 29.8351 179.1850 55 M 4.1289 8.0963 118.8388 58.3663 31.8090 179.0225 56 K 3.9881 8.3622 117.7468 58.8462 32.2937 178.4371 57 A 4.3977 7.6524 118.5744 51.5340 19.2016 177.1302 58 S 4.2547 7.3332 113.7552 57.6686 63.0736 174.5604 59 E 4.0293 8.8632 128.4948 59.2385 29.5398 178.2775 60 D 4.4846 8.1451 118.7651 57.0695 40.9830 178.2789 61 L 3.3986 8.0091 120.9902 57.7996 42.1853 178.8841 62 K 3.8846 7.7175 119.7007 59.5412 32.2524 178.8761 63 K 4.0417 8.3263 118.8657 59.8052 31.9040 178.8594 64 H 4.5091 8.6668 118.5782 58.8663 29.7100 177.6147 65 G 3.5452 8.1002 108.0847 47.6359 0.0000 175.9446 66 V 3.6135 7.7399 120.2173 66.0483 31.5694 178.3069 67 T 3.8892 7.7939 115.2518 66.4934 68.1876 176.8910 68 V 3.5779 7.9979 120.2803 66.1873 31.6412 178.2222 69 L 4.2363 8.2053 118.8085 58.0743 41.3890 179.7276 70 T 4.0625 8.3346 115.9126 66.3794 68.1587 176.7773 71 A 3.9662 8.0332 122.7464 55.1508 18.4668 179.5098 72 L 3.7385 8.2933 119.3822 58.0067 42.0886 179.3471 73 G 3.1992 8.5009 106.0183 47.6341 0.0000 175.5805 74 A 4.0468 7.7917 122.0097 54.4773 18.5910 179.6655 75 I 3.8216 7.1572 118.6169 64.4881 37.3019 178.3937 76 L 3.9352 7.5938 119.7810 57.7327 41.2087 179.6457 77 K 3.9234 7.5807 116.5972 58.3697 32.3642 178.7547 78 K 3.9439 7.8380 118.4498 56.0672 32.6594 176.5630 79 K 2.0000 8.2727 118.2746 56.5158 29.8507 174.5092 80 G 3.9900 7.8525 105.5850 46.0513 0.0000 174.0240 81 H 4.5872 7.2278 118.0513 55.2206 27.1333 174.9693 82 H 5.6642 7.6379 110.8949 54.6294 29.7247 176.7476 83 E 4.0001 8.6219 120.4840 60.4710 27.5276 178.6495 84 A 4.0181 8.0225 121.6760 54.6748 18.2553 179.1797 85 E 4.1603 8.0201 115.6223 58.8717 29.4501 179.2774 86 L 4.1794 7.8538 119.4459 57.0954 41.8355 178.7781 87 K 3.8763 7.5307 118.2837 59.4871 32.2263 177.4432 88 P 4.3601 0.0000 0.0000 65.5208 31.5110 178.1793 89 L 4.0593 7.4658 121.2005 57.9815 41.9785 178.7440 90 A 4.2133 8.4899 121.2757 54.9840 18.2857 179.3653 91 Q 3.8852 8.1293 118.3707 59.3761 29.1086 178.7525 92 S 3.9871 7.9725 114.9582 61.9121 63.1153 176.1294 93 H 4.1912 8.4366 119.0812 57.6192 28.2525 177.3601 94 A 2.7847 7.9247 123.0001 54.5070 18.5599 179.7052 95 T 3.6445 7.5397 112.9092 66.8355 68.7305 176.2012 96 K 3.9845 7.6014 120.3511 59.1263 32.8580 177.4491 97 H 4.2390 8.2637 117.5167 56.4743 29.4443 175.5168 98 K 3.2914 7.3598 116.9576 55.9942 28.2867 174.1431 99 I 4.3117 8.3605 119.2709 58.5130 38.6229 174.7690 100 P 4.5331 0.0000 0.0000 62.2923 32.0802 177.4330 101 I 3.6793 8.3284 120.5932 64.4522 36.9311 178.3749 102 K 3.7942 7.9546 120.0194 59.9309 31.9152 178.2488 103 Y 4.0922 7.8045 116.2855 60.9437 37.8935 178.3350 104 L 4.2263 7.8674 119.5774 57.6992 41.8227 179.1717 105 E 4.0986 8.0910 118.8865 59.1443 29.3458 179.2689 106 F 4.5368 7.8865 117.9101 60.8326 38.9437 177.6060 107 I 3.8576 8.1352 118.2104 64.0599 37.7580 178.0348 108 S 4.2173 8.1980 115.9380 61.4368 62.6141 176.2898 109 E 3.9960 8.2753 121.7619 59.2916 29.4585 178.7698 110 A 4.0507 8.0418 120.8948 55.0229 18.3957 179.7257 111 I 3.6622 8.1931 118.7168 64.6659 37.2536 178.6282 112 I 3.8386 7.7904 120.5950 64.6951 36.9591 177.9599 113 H 4.1203 8.3325 118.9614 59.3429 29.6558 177.5123 114 V 3.5544 7.8491 119.9948 66.0054 31.2993 178.0182 115 L 3.7544 7.8336 118.7745 57.7161 41.0233 178.9675 116 H 4.3738 7.8554 117.4777 59.3549 29.9153 177.3572 117 S 4.1523 7.6966 115.6402 61.8391 62.8560 176.6744 118 R 4.0191 7.8363 118.9248 57.8329 31.3601 176.5797 119 H 5.0442 8.1918 115.4184 53.7597 29.5910 172.6750 120 P 4.3313 0.0000 0.0000 65.8366 31.7724 179.5855 121 G 3.6725 8.1741 106.6547 47.5431 0.0000 173.6120 122 N 4.9803 8.0942 114.4665 52.9572 39.6184 174.7193 123 F 4.9572 7.8816 118.7244 56.3999 39.4549 174.1167 124 G 3.9192 7.5919 109.5701 43.8179 0.0000 171.6777 125 A 3.8853 8.4564 120.6047 55.4147 18.1851 179.6921 126 D 4.1746 7.9442 116.4408 57.4622 40.9702 178.7040 127 A 3.9331 7.7536 120.7893 55.1588 18.3916 179.3282 128 Q 3.1395 7.7962 118.3392 58.7069 28.9815 178.6547 129 G 3.4612 7.9163 106.8377 47.5884 0.0000 175.6520 130 A 3.8704 7.8747 123.3309 54.9880 18.3980 179.4185 131 M 4.0359 8.2127 116.9083 58.7474 32.2837 177.9638 132 N 4.3562 8.3707 117.3486 56.6319 39.0523 177.0306 133 K 3.8852 8.0878 119.6916 59.3266 32.2243 179.2001 134 A 3.8364 7.8940 121.0204 55.1811 18.2658 179.7376 135 L 4.1679 8.1374 117.4432 57.7316 41.6693 179.5969 136 E 3.9936 8.4924 119.0221 59.2704 29.4253 179.0009 137 L 3.9859 8.2340 120.6471 57.9628 42.1073 178.8827 138 F 4.1638 8.1405 120.1990 61.5081 39.3763 177.4577 139 R 3.5373 8.1826 117.7422 58.7301 29.6981 179.0905 140 K 3.8359 8.0939 119.5969 59.6806 32.2956 178.7703 141 D 4.2946 7.9416 119.1517 57.2588 40.5881 178.8770 142 I 3.4008 7.4835 120.2480 63.9690 36.9513 178.3088 143 A 3.7741 7.8285 121.4906 55.0127 18.0865 179.4794 144 A 3.9371 8.0607 119.3939 55.3875 18.5390 180.0862 145 K 4.0031 8.1505 116.9265 59.5556 32.0322 179.1503 146 Y 4.3982 8.2518 117.4664 61.0915 37.8830 178.4838 147 K 3.8978 8.1253 120.3630 59.8891 32.0657 178.5702 148 E 4.0439 7.7890 117.2857 59.2250 29.4717 178.6590 149 L 4.3318 7.8096 116.4146 54.8598 42.0305 177.1432 150 G 3.8092 8.2494 107.0199 46.6529 0.0000 173.4888 151 Y 4.3542 7.2296 117.3759 53.4912 41.6649 174.3233 152 Q 3.4979 8.0477 124.8837 56.7102 27.2920 174.0502 153 G 3.3594 8.1359 109.0510 44.8911 0.0000 171.2076 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.96 4.25 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.29 4.35 0.00 0.98 0.78 0.66 -0.36 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 3 S 8.69 4.59 0.00 4.04 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 4 E 8.82 4.28 0.00 2.19 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 0.00 2.43 2.52 0.00 5 G 8.11 3.65 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 0.00 0.00 0.00 6 E 7.98 3.95 0.00 1.84 1.73 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 2.22 2.25 0.00 7 W 8.14 4.36 0.00 3.57 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 8 Q 8.62 4.14 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 9 L 7.98 4.06 0.00 1.89 1.75 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.89 3.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.95 0.00 0.00 11 L 8.64 4.29 0.00 1.82 1.81 0.92 0.94 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 12 H 8.72 4.26 0.00 3.40 3.55 0.00 5.78 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 13 V 7.77 3.37 2.44 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 1.06 0.00 0.00 0.88 0.00 0.00 14 W 8.48 3.98 0.00 3.67 3.18 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 15 A 7.81 4.03 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 16 K 7.36 3.93 0.00 1.40 1.59 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.54 7.81 17 V 7.04 2.82 0.97 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 -0.07 0.00 0.00 0.47 0.00 0.00 18 E 7.53 3.93 0.00 2.02 1.92 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 2.23 2.16 0.00 19 A 7.39 4.18 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 20 D 7.73 4.67 0.00 2.72 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 21 V 7.87 3.44 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 1.06 0.00 0.00 0.88 0.00 0.00 22 A 8.00 4.05 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 23 G 8.08 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 0.00 0.00 0.00 24 H 8.38 4.19 0.00 3.30 3.22 0.00 5.82 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 8.40 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.96 3.89 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 27 D 7.77 4.31 0.00 2.87 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 28 I 7.64 3.63 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.88 0.00 0.00 29 L 7.71 3.48 0.00 1.44 1.14 0.84 0.59 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 30 I 7.70 3.71 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.88 0.00 0.00 31 R 7.94 3.77 0.00 1.85 2.13 0.00 3.02 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 32 L 7.70 3.87 0.00 1.66 1.38 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.85 4.59 0.00 3.02 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 34 K 7.88 4.04 0.00 1.70 1.82 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.72 7.81 35 S 7.99 4.24 0.00 3.69 3.56 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 36 H 8.14 4.77 0.00 2.99 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.87 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 4.75 0.00 2.16 2.13 0.00 3.84 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 2.10 2.23 0.00 38 E 8.27 4.11 0.00 2.30 2.30 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 2.28 2.54 0.00 39 T 8.06 3.78 4.45 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 0.93 0.00 0.00 40 L 8.01 3.82 0.00 1.59 1.83 0.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.99 4.12 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 42 K 8.18 4.40 0.00 1.95 1.62 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.76 1.93 7.81 43 F 8.07 4.55 0.00 3.26 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 44 D 8.48 4.39 0.00 2.58 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.72 3.94 0.00 1.14 1.25 0.00 3.01 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 46 F 7.50 5.07 0.00 2.84 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 47 K 8.16 3.88 0.00 1.77 1.93 0.00 1.88 0.00 0.00 1.95 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.84 7.81 48 H 8.30 4.30 0.00 3.29 3.42 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.63 3.98 0.00 1.62 1.58 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.16 4.14 0.00 1.81 1.84 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.54 7.81 51 T 7.48 4.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 52 E 8.60 3.88 0.00 2.03 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 2.35 2.35 0.00 53 A 7.91 4.00 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 54 E 7.66 3.92 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 55 M 8.10 4.13 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.50 0.00 56 K 8.36 3.99 0.00 1.86 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.65 4.40 1.29 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 0.00 0.00 58 S 7.33 4.25 0.00 3.96 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 59 E 8.86 4.03 0.00 2.15 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 2.40 2.48 0.00 60 D 8.15 4.48 0.00 3.00 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 61 L 8.01 3.40 0.00 1.15 1.58 0.71 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.72 3.88 0.00 1.79 1.95 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 8.33 4.04 0.00 2.07 1.92 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.79 7.81 64 H 8.67 4.51 0.00 3.68 3.66 0.00 5.78 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 65 G 8.10 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.74 3.61 2.27 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 1.12 0.00 0.00 0.98 0.00 0.00 67 T 7.79 3.89 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 1.27 0.00 0.00 68 V 8.00 3.58 2.24 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 1.19 0.00 0.00 1.02 0.00 0.00 69 L 8.21 4.24 0.00 1.79 1.85 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 4.06 4.30 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 1.26 0.00 0.00 71 A 8.03 3.97 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 72 L 8.29 3.74 0.00 1.59 1.63 0.26 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 3.20 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 0.00 74 A 7.79 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 75 I 7.16 3.82 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.91 0.00 0.00 76 L 7.59 3.94 0.00 1.19 1.54 -0.14 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.58 3.92 0.00 1.63 1.78 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.48 7.81 78 K 7.84 3.94 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.68 1.80 7.81 79 K 8.27 2.00 0.00 1.25 0.74 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.79 7.81 80 G 7.85 3.99 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 0.00 0.00 0.00 81 H 7.23 4.59 0.00 3.19 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.64 5.66 0.00 3.30 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.62 4.00 0.00 2.21 2.31 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 2.39 2.36 0.00 84 A 8.02 4.02 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 85 E 8.02 4.16 0.00 2.29 2.03 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 2.32 2.40 0.00 86 L 7.85 4.18 0.00 2.06 1.70 0.98 0.78 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 87 K 7.53 3.88 0.00 1.88 1.90 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 88 P 0.00 4.36 0.00 2.30 2.33 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.47 4.06 0.00 2.00 1.94 1.00 1.44 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 90 A 8.49 4.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.13 3.89 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 7.97 3.99 0.00 4.05 4.11 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 93 H 8.44 4.19 0.00 3.59 3.60 0.00 5.80 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 94 A 7.92 2.78 0.78 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 95 T 7.54 3.64 4.19 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 1.12 0.00 0.00 96 K 7.60 3.98 0.00 1.52 1.53 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.34 7.81 97 H 8.26 4.24 0.00 3.04 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.36 3.29 0.00 1.78 1.80 0.00 1.72 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.25 7.81 99 I 8.36 4.31 2.11 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 1.57 1.02 1.15 0.00 0.00 100 P 0.00 4.53 0.00 1.96 1.98 0.00 3.22 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.12 0.00 101 I 8.33 3.68 1.83 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.73 0.83 0.00 0.00 102 K 7.95 3.79 0.00 1.72 1.65 0.00 1.48 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 0.81 7.81 103 Y 7.80 4.09 0.00 3.26 3.10 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 0.00 104 L 7.87 4.23 0.00 1.87 1.79 0.69 1.14 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 0.00 105 E 8.09 4.10 0.00 2.11 2.03 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 2.32 2.51 0.00 106 F 7.89 4.54 0.00 3.26 2.90 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 0.00 107 I 8.14 3.86 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 1.09 0.00 0.00 108 S 8.20 4.22 0.00 4.24 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 0.00 109 E 8.28 4.00 0.00 2.36 2.30 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 2.38 2.41 0.00 110 A 8.04 4.05 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 0.00 111 I 8.19 3.66 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.99 1.04 0.00 0.00 112 I 7.79 3.84 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 1.14 0.00 0.00 113 H 8.33 4.12 0.00 3.39 3.45 0.00 5.78 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 0.00 114 V 7.85 3.55 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 0.96 0.00 0.00 0.97 0.00 0.00 115 L 7.83 3.75 0.00 0.49 0.60 0.79 0.71 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 0.00 116 H 7.86 4.37 0.00 3.47 3.56 0.00 5.95 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 0.00 117 S 7.70 4.15 0.00 3.93 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 0.00 118 R 7.84 4.02 0.00 1.42 1.61 0.00 3.11 0.00 0.00 2.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 119 H 8.19 5.04 0.00 3.19 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.21 2.26 0.00 3.75 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 2.07 1.94 0.00 121 G 8.17 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 0.00 122 N 8.09 4.98 0.00 2.80 2.91 0.00 0.00 6.68 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 0.00 123 F 7.88 4.96 0.00 2.99 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 0.00 124 G 7.59 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 0.00 125 A 8.46 3.89 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.94 4.17 0.00 2.65 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 0.00 127 A 7.75 3.93 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 0.00 128 Q 7.80 3.14 0.00 1.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 129 G 7.92 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.87 3.87 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 0.00 131 M 8.21 4.04 0.00 2.38 2.40 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.93 0.00 132 N 8.37 4.36 0.00 2.94 2.95 0.00 0.00 7.23 6.56 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 0.00 133 K 8.09 3.89 0.00 1.84 1.65 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 7.89 3.84 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 0.00 135 L 8.14 4.17 0.00 1.79 1.83 1.01 0.71 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 0.00 136 E 8.49 3.99 0.00 2.21 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 2.34 2.54 0.00 137 L 8.23 3.99 0.00 1.84 2.00 1.02 1.29 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 0.00 138 F 8.14 4.16 0.00 3.27 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 0.00 139 R 8.18 3.54 0.00 1.97 1.85 0.00 3.17 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 140 K 8.09 3.84 0.00 1.88 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 7.94 4.29 0.00 2.66 2.66 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 0.00 142 I 7.48 3.40 1.34 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 0.11 0.00 0.00 143 A 7.83 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.06 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.15 4.00 0.00 2.10 1.94 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.25 4.40 0.00 3.24 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 0.00 147 K 8.13 3.90 0.00 1.88 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.79 4.04 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 149 L 7.81 4.33 0.00 1.82 1.71 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.25 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 0.00 151 Y 7.23 4.35 0.00 2.63 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 0.00 152 Q 8.05 3.50 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 153 G 8.14 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 0.00 0.00 0.00