NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2302 8.1727 120.1333 56.8291 34.8684 174.0217 2 V 4.5626 8.0479 121.4555 60.7973 32.3436 174.6962 3 F 4.4457 9.9216 128.7828 57.5524 40.2802 174.8240 4 E 4.2933 8.8535 120.3329 55.4984 31.1086 176.9062 5 R 3.2474 8.8978 121.5217 60.6679 29.8974 179.5145 6 C 4.3252 8.0124 115.2617 59.6503 38.3504 175.7335 7 E 3.8856 8.0781 120.7149 59.2375 29.2933 178.4935 8 L 3.5889 7.9651 120.0943 57.7975 42.0904 178.5907 9 A 3.9373 7.8848 120.7013 55.4416 18.4698 179.8811 10 R 3.8903 8.1414 116.5178 59.5782 30.2131 179.5079 11 T 3.8595 7.8971 115.5630 66.6768 68.6014 176.7167 12 L 3.8782 8.1579 121.2931 57.5937 41.5690 179.5451 13 K 3.9509 8.0003 119.5891 59.4862 31.9252 178.9282 14 R 3.9886 7.7458 117.6986 58.7518 30.0288 177.4348 15 L 4.3885 7.4272 116.3441 53.7907 41.8981 176.5258 16 G 3.8475 7.7770 106.7843 47.1664 0.0000 175.1125 17 M 3.9742 7.7110 120.1057 55.9693 32.6346 175.8796 18 D 4.3568 8.0081 117.9121 56.0577 41.0936 175.7939 19 G 3.9569 9.4440 115.9052 45.3218 0.0000 171.3986 20 Y 4.2342 8.2427 121.9990 58.8713 38.9812 176.4035 21 R 3.5631 8.9727 126.6051 57.2254 27.8539 177.2591 22 G 3.8076 8.1446 103.5211 45.6184 0.0000 174.0982 23 I 4.0717 7.7041 122.3379 59.1426 37.9357 175.8441 24 S 4.5864 8.3355 120.4490 57.7403 63.9718 174.8827 25 L 4.2102 9.1747 123.6915 58.7065 41.7312 179.4588 26 A 4.1920 8.1721 119.9589 55.2187 18.2492 179.2523 27 N 4.4391 8.2425 115.1244 56.2768 38.5522 177.6886 28 W 4.2449 8.0601 119.9467 59.9247 29.1165 178.3748 29 M 4.1736 8.4170 118.7352 58.5545 31.4516 177.8133 30 C 3.0603 8.0385 118.6040 59.2009 44.2103 175.3878 31 L 3.9458 8.1696 121.5635 58.2969 41.7348 178.7847 32 A 4.1312 8.3907 120.8621 54.9229 18.3649 179.4935 33 K 2.7434 8.1187 118.1967 59.3404 32.0657 179.2479 34 W 4.1851 7.6253 117.4697 59.2229 28.9973 178.4279 35 E 4.2927 8.3595 118.6942 58.7367 29.6221 177.8418 36 S 4.5299 7.8906 110.3065 56.6448 64.4806 174.7707 37 G 3.4002 7.8549 108.6568 46.6788 0.0000 173.0853 38 Y 3.6328 7.5965 113.6737 58.7036 35.1344 168.6327 39 N 5.3727 7.5739 118.2832 51.9601 39.8919 175.5923 40 T 4.1019 8.9283 117.3715 63.7564 69.1724 175.8876 41 R 4.4982 8.0809 116.9863 55.6957 30.1499 176.2417 42 A 4.3749 7.6141 121.3174 52.5787 19.3826 176.9858 43 T 5.0142 8.3501 110.7033 60.0000 72.5343 173.0326 44 N 4.8673 8.7705 121.5451 52.2338 42.0605 172.3963 45 Y 4.6191 8.7148 128.1197 57.3034 40.7681 173.9388 46 N 4.7610 8.4047 124.9494 51.0690 38.3996 175.2198 47 A 3.7032 8.2974 127.2220 54.7263 18.9567 179.3377 48 G 3.7455 8.0777 104.2942 48.0963 0.0000 173.8277 49 D 4.7177 7.4515 114.8432 51.9570 40.2764 175.7009 50 R 3.8948 8.1969 116.6923 57.2444 28.0290 175.8570 51 S 4.9468 7.6916 111.6558 57.0661 66.5323 172.5695 52 T 5.0808 8.7096 116.0296 61.9234 72.5831 172.8336 53 D 5.4159 8.9541 125.4681 53.3805 43.0950 175.0353 54 Y 4.9244 9.0876 121.0114 57.4481 41.4502 177.2852 55 G 4.3483 9.1349 112.6860 46.0892 0.0000 173.3189 56 I 3.9034 8.2277 116.8007 62.9628 37.8489 177.2980 57 F 4.7316 7.9633 115.4313 56.4498 39.8750 175.2228 58 Q 3.6061 7.9691 119.2375 57.1224 26.5584 174.2439 59 I 4.3556 8.1038 118.9347 61.2030 39.2323 176.9529 60 N 5.3414 9.2461 126.1993 53.4116 39.7626 175.7423 61 S 4.5982 9.0598 120.5930 60.7470 63.3447 175.4463 62 R 3.7192 8.7339 122.1392 58.7270 30.4334 177.8344 63 Y 4.2142 7.5487 114.0011 58.1695 40.9080 177.2133 64 W 4.7906 7.9146 118.7533 58.0517 29.9837 173.7342 65 C 5.5801 7.9372 109.8367 53.5423 45.1839 172.2048 66 N 4.9457 8.9483 119.5948 52.0690 39.9353 174.7144 67 D 4.7530 8.4828 122.7419 52.2816 40.4427 177.9900 68 G 4.1046 8.5429 110.3016 46.1118 0.0000 174.8783 69 K 4.3605 7.9456 116.1492 56.7898 33.2808 176.2260 70 T 4.3780 7.7702 117.4632 61.7588 69.2224 172.8511 71 P 4.2584 0.0000 0.0000 63.7606 32.1285 176.4836 72 G 3.9091 8.4855 110.2355 46.6362 0.0000 172.4720 73 A 4.7404 7.6693 117.8161 50.2042 21.7695 177.4077 74 V 4.3261 8.4368 112.4494 59.4004 35.6323 176.1800 75 N 4.9515 8.1498 117.9020 51.9057 37.9084 174.3612 76 A 3.9779 9.2221 125.5157 54.7941 19.0764 178.5741 77 C 4.4630 8.4397 111.1664 57.4358 41.0943 173.0247 78 H 4.1435 7.7882 116.0061 56.7126 26.2910 174.3312 79 L 4.8426 8.4351 117.8578 52.8275 46.3703 176.8271 80 S 4.6342 8.3638 115.6325 58.0451 63.2830 176.0147 81 C 4.1537 8.5874 123.8430 59.5265 40.6426 176.3609 82 S 3.9150 7.7648 114.6430 61.2567 61.6588 175.9250 83 A 4.0966 7.7981 122.5755 54.5178 18.0945 177.9492 84 L 4.4576 7.6959 116.3375 55.0822 41.7087 177.6276 85 L 5.0892 7.9019 117.0461 54.5303 42.4088 176.7192 86 Q 4.3721 7.7892 117.8531 55.3991 29.5252 175.9341 87 D 4.3974 8.4853 119.3536 56.8833 41.1676 176.6437 88 N 4.6021 8.0307 118.1630 53.0252 39.1198 174.5336 89 I 4.2578 8.4408 119.1560 61.0588 38.0091 177.0137 90 A 3.9433 8.0525 124.5218 56.0485 18.1920 180.2313 91 D 4.3151 8.0862 116.5014 57.3678 40.9175 178.6779 92 A 4.1125 7.9856 120.9361 55.0914 18.4263 179.7587 93 V 3.3980 8.0873 116.6768 66.0961 31.5538 178.1684 94 A 3.8558 7.9733 120.5251 55.1871 18.0785 178.8449 95 C 4.2267 8.3287 116.9256 59.6657 38.3603 175.5826 96 A 3.8954 8.1273 122.5391 55.1028 17.6109 179.7826 97 K 3.8173 7.6658 116.2516 59.3597 32.3424 179.2594 98 R 4.0601 7.6346 118.8458 59.3137 29.8949 178.5860 99 V 2.3077 7.4776 118.0983 65.7265 31.2171 177.8889 100 V 3.9084 7.6643 109.5247 62.5328 31.3571 177.7511 101 R 4.3080 7.6658 117.3499 56.6430 30.5922 176.2663 102 D 4.7663 7.2797 119.8694 52.3599 42.1177 175.3653 103 P 4.2110 0.0000 0.0000 66.3404 31.1957 177.8744 104 Q 3.9997 8.1583 117.5004 56.4333 30.0236 177.3917 105 G 3.7164 7.8970 107.1951 45.1782 0.0000 176.8987 106 V 3.6015 7.8154 120.7091 63.9347 31.3508 178.3084 107 R 4.1525 7.3051 118.1433 57.7251 29.9915 177.4104 108 A 3.8950 7.6109 121.0820 54.1897 18.7299 177.6914 109 W 4.7403 8.0393 117.0468 55.3806 30.1180 177.4682 110 V 3.7337 8.7656 123.6777 66.0454 31.0210 177.6088 111 A 4.0646 8.3082 120.0954 54.8879 18.0861 179.2371 112 W 4.0042 8.4086 126.7653 60.6418 30.5516 178.5007 113 R 3.6972 8.1420 116.7640 59.1922 29.6678 178.3580 114 N 4.3909 7.8853 115.3306 55.3256 38.7250 176.7426 115 R 4.1503 7.4823 113.1545 55.8089 30.5782 175.2119 116 C 4.5173 7.0859 115.6742 58.2816 42.6826 174.1392 117 Q 3.2463 6.4546 119.4419 57.4903 28.6062 175.6774 118 N 4.1738 8.6639 120.4505 54.2295 36.2794 173.7173 119 R 4.4830 7.3381 115.1039 54.0517 33.0588 175.6585 120 D 4.5707 8.4005 118.7034 54.0756 40.1723 176.5420 121 V 4.4942 8.1994 119.5146 61.3792 32.2297 177.7392 122 R 4.0714 8.1034 117.8576 59.3735 29.1515 178.6129 123 Q 3.9692 8.1261 117.8517 59.5320 28.1033 178.2726 124 Y 4.3209 7.8621 117.6566 59.9056 38.0710 176.9988 125 V 4.3511 7.6962 110.7998 60.7540 32.8128 175.5247 126 Q 4.0659 7.5737 119.5440 57.2893 28.7280 176.8601 127 G 3.9270 8.9373 110.3579 46.1547 0.0000 174.4618 128 C 4.4669 7.9924 115.8066 56.3085 40.6977 173.7637 129 G 3.8218 8.0678 107.2420 47.0493 0.0000 174.2024 130 V 4.0098 7.8844 117.6856 61.1025 32.1202 175.9798 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 K 8.17 4.23 0.00 1.64 1.97 0.00 1.10 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.13 7.81 2 V 8.05 4.56 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 0.88 0.00 0.00 0.95 0.00 0.00 3 F 9.92 4.45 0.00 2.85 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 4 E 8.85 4.29 0.00 1.91 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 2.28 2.38 0.00 5 R 8.90 3.25 0.00 1.88 1.89 0.00 3.43 0.00 0.00 3.46 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 6 C 8.01 4.33 0.00 2.99 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 7 E 8.08 3.89 0.00 2.06 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 0.00 2.59 2.42 0.00 8 L 7.97 3.59 0.00 1.36 1.40 -0.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.88 3.94 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 10 R 8.14 3.89 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 11 T 7.90 3.86 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 1.20 0.00 0.00 12 L 8.16 3.88 0.00 1.72 1.59 0.95 0.31 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 13 K 8.00 3.95 0.00 1.85 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.75 3.99 0.00 2.03 2.01 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.43 4.39 0.00 1.69 1.55 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.78 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.71 3.97 0.00 1.32 1.95 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 18 D 8.01 4.36 0.00 2.68 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 19 G 9.44 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 0.00 0.00 0.00 20 Y 8.24 4.23 0.00 3.36 3.21 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 21 R 8.97 3.56 0.00 1.86 1.83 0.00 3.28 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.39 0.00 22 G 8.14 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 23 I 7.70 4.07 1.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.72 -0.15 0.00 0.00 24 S 8.34 4.59 0.00 4.07 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 25 L 9.17 4.21 0.00 2.09 1.82 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.19 1.51 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 27 N 8.24 4.44 0.00 2.84 2.76 0.00 0.00 7.04 7.57 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 28 W 8.06 4.24 0.00 3.57 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 29 M 8.42 4.17 0.00 2.20 2.36 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 2.71 2.92 0.00 30 C 8.04 3.06 0.00 2.61 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 31 L 8.17 3.95 0.00 1.78 1.83 0.57 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.39 4.13 1.47 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 0.00 0.00 33 K 8.12 2.74 0.00 1.63 1.46 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.57 1.46 7.81 34 W 7.63 4.19 0.00 3.34 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 35 E 8.36 4.29 0.00 2.01 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 0.00 2.57 2.42 0.00 36 S 7.89 4.53 0.00 4.08 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 37 G 7.85 3.40 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 0.00 38 Y 7.60 3.63 0.00 3.23 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 39 N 7.57 5.37 0.00 2.90 2.81 0.00 0.00 7.03 7.11 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 40 T 8.93 4.10 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 1.49 0.00 0.00 41 R 8.08 4.50 0.00 1.97 2.09 0.00 3.13 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 42 A 7.61 4.37 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 43 T 8.35 5.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 44 N 8.77 4.87 0.00 2.89 2.74 0.00 0.00 6.94 7.07 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 45 Y 8.71 4.62 0.00 3.06 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 46 N 8.40 4.76 0.00 2.62 2.59 0.00 0.00 6.91 6.71 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 47 A 8.30 3.70 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.08 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 49 D 7.45 4.72 0.00 2.69 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 50 R 8.20 3.89 0.00 2.03 2.20 0.00 3.12 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 51 S 7.69 4.95 0.00 3.85 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 52 T 8.71 5.08 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 0.65 0.00 0.00 53 D 8.95 5.42 0.00 2.67 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 54 Y 9.09 4.92 0.00 2.95 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 55 G 9.13 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 0.00 0.00 0.00 0.00 56 I 8.23 3.90 1.69 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 0.99 1.84 0.08 0.00 0.00 57 F 7.96 4.73 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 58 Q 7.97 3.61 0.00 2.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.16 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 59 I 8.10 4.36 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.15 1.18 0.00 0.00 60 N 9.25 5.34 0.00 3.08 3.01 0.00 0.00 7.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.06 4.60 0.00 4.07 4.38 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 62 R 8.73 3.72 0.00 1.56 1.42 0.00 2.72 0.00 0.00 2.87 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 63 Y 7.55 4.21 0.00 1.43 1.80 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 64 W 7.91 4.79 0.00 3.67 3.31 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 65 C 7.94 5.58 0.00 3.14 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 66 N 8.95 4.95 0.00 2.79 2.70 0.00 0.00 7.07 9.09 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 67 D 8.48 4.75 0.00 2.88 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 68 G 8.54 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 0.00 0.00 0.00 69 K 7.95 4.36 0.00 1.93 1.95 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.48 7.81 70 T 7.77 4.38 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 1.16 0.00 0.00 71 P 0.00 4.26 0.00 2.02 1.98 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.49 3.91 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 0.00 0.00 0.00 73 A 7.67 4.74 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 74 V 8.44 4.33 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 0.64 0.00 0.00 0.90 0.00 0.00 75 N 8.15 4.95 0.00 2.78 2.64 0.00 0.00 6.92 8.79 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 76 A 9.22 3.98 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 77 C 8.44 4.46 0.00 3.32 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 78 H 7.79 4.14 0.00 3.35 3.35 0.00 5.62 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 79 L 8.44 4.84 0.00 1.67 1.50 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.36 4.63 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.59 4.15 0.00 2.26 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 82 S 7.76 3.92 0.00 3.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.80 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.70 4.46 0.00 1.95 1.82 1.07 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.90 5.09 0.00 1.76 1.71 1.10 0.97 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 86 Q 7.79 4.37 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 7.34 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 87 D 8.49 4.40 0.00 2.63 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 88 N 8.03 4.60 0.00 2.67 2.75 0.00 0.00 6.97 7.95 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 89 I 8.44 4.26 1.79 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 1.60 0.44 0.96 0.00 0.00 90 A 8.05 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.09 4.32 0.00 2.72 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 92 A 7.99 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.09 3.40 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 0.73 0.00 0.00 0.91 0.00 0.00 94 A 7.97 3.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.33 4.23 0.00 3.15 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.13 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.67 3.82 0.00 1.65 1.42 0.00 1.31 0.00 0.00 0.89 0.00 0.00 2.28 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 1.00 7.81 98 R 7.63 4.06 0.00 1.92 2.15 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 99 V 7.48 2.31 1.78 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 -0.28 0.00 0.00 -0.61 0.00 0.00 100 V 7.66 3.91 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 1.16 0.00 0.00 1.45 0.00 0.00 101 R 7.67 4.31 0.00 2.09 2.04 0.00 3.24 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 102 D 7.28 4.77 0.00 3.00 2.60 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 0.00 103 P 0.00 4.21 0.00 2.14 2.19 0.00 3.77 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 1.97 2.00 0.00 104 Q 8.16 4.00 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.82 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.82 3.60 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 -0.69 0.00 0.00 -0.20 0.00 0.00 107 R 7.31 4.15 0.00 2.02 2.07 0.00 3.15 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.53 0.00 108 A 7.61 3.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.04 4.74 0.00 3.49 3.24 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 0.00 110 V 8.77 3.73 2.18 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 1.10 0.00 0.00 1.01 0.00 0.00 111 A 8.31 4.06 1.51 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 0.00 112 W 8.41 4.00 0.00 3.50 3.50 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 0.00 0.00 0.00 0.00 113 R 8.14 3.70 0.00 2.09 1.98 0.00 3.55 0.00 0.00 3.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.10 0.00 114 N 7.89 4.39 0.00 2.56 2.70 0.00 0.00 6.87 7.22 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 0.00 115 R 7.48 4.15 0.00 0.88 0.96 0.00 2.70 0.00 0.00 2.82 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.53 0.00 116 C 7.09 4.52 0.00 1.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 6.45 3.25 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 118 N 8.66 4.17 0.00 2.79 2.81 0.00 0.00 6.91 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.34 4.48 0.00 1.83 1.81 0.00 3.23 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 120 D 8.40 4.57 0.00 2.64 2.63 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 0.00 0.00 0.00 0.00 121 V 8.20 4.49 2.37 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 0.96 0.00 0.00 1.05 0.00 0.00 122 R 8.10 4.07 0.00 2.04 2.31 0.00 2.79 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 123 Q 8.13 3.97 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.10 1.56 0.00 124 Y 7.86 4.32 0.00 3.12 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 0.00 125 V 7.70 4.35 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 1.13 0.00 0.00 1.06 0.00 0.00 126 Q 7.57 4.07 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.17 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 127 G 8.94 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 0.00 128 C 7.99 4.47 0.00 2.94 3.14 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 0.00 129 G 8.07 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.88 4.01 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 0.80 0.00 0.00 0.96 0.00 0.00