NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1971 8.0249 114.2679 60.7773 38.9575 174.0749 2 Q 4.8112 8.3877 118.4631 53.7583 32.2380 173.8548 3 R 4.7580 9.4396 122.3368 54.5614 34.2257 174.4077 4 T 5.1397 8.9408 118.7225 60.1900 68.3356 172.3633 5 P 4.7993 0.0000 0.0000 63.1914 32.1135 175.8776 6 K 4.5661 9.5589 122.8329 55.8478 34.0146 175.8278 7 I 5.2253 8.2425 122.7935 59.8117 40.9304 174.7606 8 Q 4.7600 9.4569 124.9359 54.1812 32.6427 174.1840 9 V 5.0479 8.4898 123.8115 61.4870 33.7727 173.9522 10 Y 5.2457 8.2142 124.1982 56.7374 41.5917 173.0231 11 S 4.9752 9.0403 114.7211 56.9254 64.6347 174.2246 12 R 4.1251 8.8359 122.6354 59.1402 30.2358 176.4430 13 H 5.1334 8.2791 113.5258 52.6798 31.9667 171.8217 14 P 4.3623 0.0000 0.0000 62.7553 31.6292 176.5208 15 A 4.2549 8.7748 126.0968 52.2520 19.2449 176.4479 16 E 4.5211 8.5397 121.9816 54.0049 32.1871 174.2882 17 N 4.7105 8.9041 124.2056 55.6522 38.7510 175.1941 18 G 3.9686 9.4334 113.2786 44.8518 0.0000 173.1219 19 K 4.3452 7.4253 119.3547 54.5296 33.2422 176.6972 20 S 4.0855 8.2595 117.6881 58.3630 63.2835 172.8088 21 N 4.9084 8.4778 122.9962 53.1795 42.5908 172.0781 22 F 5.2524 8.9161 115.3020 55.8783 43.2265 173.7179 23 L 3.9704 9.0282 126.0872 53.5355 43.4427 174.7888 24 N 5.4200 8.7135 123.7124 51.4499 42.0444 172.9522 25 C 5.3310 9.6270 122.3944 55.2030 47.8829 171.8677 26 Y 5.5714 9.4390 129.1354 56.2330 40.5226 174.5076 27 V 5.0020 8.6225 120.6971 59.7582 34.6339 175.2953 28 S 5.2296 8.4152 118.4959 57.4313 67.0165 174.6132 29 G 4.2514 8.7718 105.2215 47.0742 0.0000 173.1904 30 F 5.1987 7.3395 114.2352 55.7597 41.1621 174.0422 31 H 5.2525 8.9742 117.6027 54.8060 33.7459 171.8789 32 P 4.9780 0.0000 0.0000 62.1069 32.3719 176.3008 33 S 4.0213 8.2215 113.2004 60.3239 63.0467 174.2832 34 D 4.4360 7.8731 121.9677 54.3739 40.8714 175.1090 35 I 4.6924 7.9396 122.9918 59.6954 41.4406 173.3168 36 E 4.6602 9.1495 126.7650 54.4534 32.5167 175.1283 37 V 4.6281 8.0400 123.4870 60.9923 34.4902 174.1866 38 D 4.9145 8.9698 126.8157 52.4472 44.9919 174.4494 39 L 4.9507 8.4000 121.8791 53.3323 43.9044 175.2660 40 L 5.1568 9.2874 124.2736 52.8124 44.9455 175.6000 41 K 4.2622 8.9312 124.4336 54.3199 34.3104 175.7865 42 N 3.8758 9.6287 128.6670 54.3751 36.3011 176.3340 43 G 3.9578 8.1618 104.5951 45.6008 0.0000 173.1968 44 E 4.4721 7.6367 120.9371 54.2367 31.0446 175.0266 45 R 4.4188 8.3186 125.3792 56.2062 30.8418 175.7184 46 I 4.2541 8.2275 126.5241 60.5434 38.0519 176.0347 47 E 4.1763 8.7447 124.4761 58.2592 30.3704 177.6826 48 K 4.2797 7.7375 120.0990 55.0294 30.7066 175.7373 49 V 4.4308 7.3688 117.8586 61.1687 34.3393 175.3296 50 E 4.6104 8.0888 127.3995 55.2989 32.5127 174.1359 51 H 5.3190 7.7710 114.3522 54.3880 31.0430 173.5648 52 S 4.5374 8.7113 115.2437 58.1018 64.0307 173.5587 53 D 4.5242 8.4923 120.5345 53.5335 41.2988 176.3663 54 L 4.0575 8.4908 125.4306 56.1238 42.7334 175.8209 55 S 4.7067 8.2526 119.4247 57.1137 66.6806 171.7942 56 F 5.1214 7.3632 114.7869 55.5472 40.8000 174.4004 57 S 4.6265 8.9815 117.0203 57.0840 64.0781 175.3091 58 K 3.6316 8.4607 121.9329 59.3741 31.7144 176.7274 59 D 4.5070 7.8541 115.7712 52.6777 39.4893 177.1561 60 W 3.5477 7.9827 119.1824 56.8531 27.8015 174.5107 61 S 4.4180 7.9628 114.3567 58.0040 63.9536 174.1531 62 F 4.8638 8.5313 121.6500 57.4532 40.1728 174.0121 63 Y 5.3381 8.3511 117.5275 55.9642 41.7408 173.9590 64 L 5.1600 9.4605 120.7116 53.3883 47.0527 174.5074 65 L 5.5599 9.4577 125.2590 53.7770 44.5603 174.4820 66 Y 5.2564 9.6247 124.5204 56.6533 40.8562 174.3953 67 Y 5.8004 8.3575 119.7987 56.8864 42.1717 173.3457 68 T 4.8448 8.2627 112.7795 60.9058 70.9474 171.9980 69 E 4.0463 8.6977 128.5641 56.0753 30.5392 175.4810 70 F 4.8631 8.9004 119.8693 56.2150 41.8612 173.2472 71 T 4.3880 8.1348 115.8880 60.8011 70.9726 171.8685 72 P 4.6296 0.0000 0.0000 62.8934 32.7275 176.0251 73 T 4.9367 8.4772 111.9924 59.6909 72.1278 173.2972 74 E 4.1798 8.7790 121.4867 58.7591 29.9749 177.8014 75 K 4.1657 8.1094 117.0858 59.4907 33.2019 177.4807 76 D 4.5204 7.9747 119.4943 54.1246 41.3816 175.2219 77 E 4.8359 8.7594 123.0491 54.9804 31.8508 174.7030 78 Y 5.3425 8.8784 120.6843 56.5882 41.9610 174.2816 79 A 5.1218 9.0002 122.5033 51.2886 23.8782 174.1291 80 C 5.2048 9.2532 118.9759 54.8791 46.1601 172.5216 81 R 4.9991 9.1788 127.3907 54.6607 31.8499 174.6972 82 V 4.7980 9.0363 126.5986 61.0097 34.6946 173.6225 83 N 5.2825 9.0774 125.8927 52.2594 42.2986 172.3648 84 H 5.1544 8.5241 123.3729 54.6057 33.2560 174.2790 85 V 3.6207 8.2207 121.9438 64.7342 31.2753 177.2974 86 T 4.1792 7.8856 108.9774 62.3205 69.3348 173.6134 87 L 4.9675 7.7518 123.4425 52.9039 43.7669 176.4964 88 S 4.2798 8.9203 120.1610 61.2505 63.0031 174.4271 89 Q 4.6401 7.5047 115.4285 52.8090 32.5359 172.9886 90 P 4.3946 0.0000 0.0000 63.5491 32.1398 175.5495 91 K 4.4973 9.3323 125.4239 55.0298 34.0599 174.8779 92 I 4.9421 8.3671 127.7252 59.5009 39.6010 174.8862 93 V 4.4024 8.6635 127.2851 60.8678 33.6549 174.8395 94 K 4.7078 8.7400 127.7925 55.7594 32.9991 176.7383 95 W 4.5232 9.3789 135.0000 57.5046 31.5757 174.7726 96 D 4.4876 8.5873 126.3612 51.9624 42.0535 176.3396 97 R 3.4200 7.7117 127.4733 58.5430 30.0455 176.4986 98 D 4.9690 7.9058 116.0548 54.1248 41.1913 176.2077 99 M 4.3926 8.0597 125.2962 55.7545 33.1476 174.9628 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 I 8.02 4.20 1.88 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 1.08 0.91 0.00 0.00 2 Q 8.39 4.81 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 3 R 9.44 4.76 0.00 1.89 2.04 0.00 3.18 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 4 T 8.94 5.14 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 5 P 0.00 4.80 0.00 1.97 1.63 0.00 3.81 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 6 K 9.56 4.57 0.00 1.86 1.82 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 7 I 8.24 5.23 1.92 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 1.32 0.61 0.96 0.00 0.00 8 Q 9.46 4.76 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 9 V 8.49 5.05 2.35 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 0.91 0.00 0.00 1.12 0.00 0.00 10 Y 8.21 5.25 0.00 3.23 3.16 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 11 S 9.04 4.98 0.00 4.29 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 12 R 8.84 4.13 0.00 1.82 2.17 0.00 3.15 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.46 0.00 13 H 8.28 5.13 0.00 3.35 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.36 0.00 2.11 2.08 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 15 A 8.77 4.25 1.68 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 0.00 0.00 16 E 8.54 4.52 0.00 1.97 1.75 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 2.27 2.32 0.00 17 N 8.90 4.71 0.00 2.77 2.80 0.00 0.00 7.48 7.68 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 18 G 9.43 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.43 4.35 0.00 1.88 1.70 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.74 7.81 20 S 8.26 4.09 0.00 3.73 3.68 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 21 N 8.48 4.91 0.00 2.52 2.33 0.00 0.00 7.40 7.42 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 22 F 8.92 5.25 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.03 3.97 0.00 0.27 0.76 -0.34 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.71 5.42 0.00 1.44 2.03 0.00 0.00 5.84 7.30 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 25 C 9.63 5.33 0.00 2.89 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 26 Y 9.44 5.57 0.00 3.33 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 27 V 8.62 5.00 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 0.63 0.00 0.00 1.11 0.00 0.00 28 S 8.42 5.23 0.00 3.81 3.28 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 29 G 8.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.34 5.20 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 31 H 8.97 5.25 0.00 3.32 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.98 0.00 2.12 2.15 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 33 S 8.22 4.02 0.00 3.36 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 34 D 7.87 4.44 0.00 2.66 2.64 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 0.00 0.00 0.00 0.00 35 I 7.94 4.69 1.42 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.41 0.74 0.00 0.00 36 E 9.15 4.66 0.00 1.77 1.71 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 2.15 2.30 0.00 37 V 8.04 4.63 0.67 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 0.30 0.00 0.00 0.44 0.00 0.00 38 D 8.97 4.91 0.00 2.50 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 0.00 0.00 0.00 0.00 39 L 8.40 4.95 0.00 1.56 1.53 0.86 0.53 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 40 L 9.29 5.16 0.00 1.55 1.53 0.91 0.39 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 41 K 8.93 4.26 0.00 1.81 1.63 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.16 0.88 7.81 42 N 9.63 3.88 0.00 2.77 2.81 0.00 0.00 7.29 7.59 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 43 G 8.16 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 44 E 7.64 4.47 0.00 2.13 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 45 R 8.32 4.42 0.00 1.80 1.81 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 46 I 8.23 4.25 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.95 0.00 0.00 47 E 8.74 4.18 0.00 1.96 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 2.29 2.32 0.00 48 K 7.74 4.28 0.00 1.72 1.76 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.47 7.81 49 V 7.37 4.43 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 0.91 0.00 0.00 0.97 0.00 0.00 50 E 8.09 4.61 0.00 1.16 1.45 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 2.10 2.04 0.00 51 H 7.77 5.32 0.00 2.27 2.05 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.71 4.54 0.00 3.99 4.03 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 53 D 8.49 4.52 0.00 2.70 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 54 L 8.49 4.06 0.00 1.66 1.64 0.89 0.71 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 55 S 8.25 4.71 0.00 3.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 7.36 5.12 0.00 2.65 2.28 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 57 S 8.98 4.63 0.00 4.12 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 58 K 8.46 3.63 0.00 1.58 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.24 7.81 59 D 7.85 4.51 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 60 W 7.98 3.55 0.00 3.24 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 61 S 7.96 4.42 0.00 3.85 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 62 F 8.53 4.86 0.00 1.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.35 5.34 0.00 2.85 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 64 L 9.46 5.16 0.00 1.94 1.71 1.23 0.79 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 65 L 9.46 5.56 0.00 2.02 1.70 1.11 0.61 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 66 Y 9.62 5.26 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.36 5.80 0.00 3.08 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 68 T 8.26 4.84 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 1.08 0.00 0.00 69 E 8.70 4.05 0.00 1.62 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 0.00 1.98 1.65 0.00 70 F 8.90 4.86 0.00 2.88 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 71 T 8.13 4.39 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 72 P 0.00 4.63 0.00 2.12 2.29 0.00 3.31 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.87 0.00 73 T 8.48 4.94 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 1.32 0.00 0.00 74 E 8.78 4.18 0.00 1.98 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 2.31 2.31 0.00 75 K 8.11 4.17 0.00 1.92 1.94 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.49 7.81 76 D 7.97 4.52 0.00 2.89 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.76 4.84 0.00 1.88 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 2.26 2.41 0.00 78 Y 8.88 5.34 0.00 3.18 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 79 A 9.00 5.12 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 80 C 9.25 5.20 0.00 2.97 2.93 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 81 R 9.18 5.00 0.00 1.83 1.71 0.00 3.05 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 82 V 9.04 4.80 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 0.71 0.00 0.00 0.81 0.00 0.00 83 N 9.08 5.28 0.00 2.71 2.52 0.00 0.00 6.38 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 84 H 8.52 5.15 0.00 3.03 3.02 0.00 5.74 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.22 3.62 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 0.66 0.00 0.00 0.89 0.00 0.00 86 T 7.89 4.18 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 87 L 7.75 4.97 0.00 1.72 1.77 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.92 4.28 0.00 3.85 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 89 Q 7.50 4.64 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 90 P 0.00 4.39 0.00 1.91 1.98 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 91 K 9.33 4.50 0.00 1.77 1.64 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.41 7.81 92 I 8.37 4.94 1.88 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 1.22 0.76 0.93 0.00 0.00 93 V 8.66 4.40 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 1.14 0.00 0.00 0.97 0.00 0.00 94 K 8.74 4.71 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 95 W 9.38 4.52 0.00 3.25 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 96 D 8.59 4.49 0.00 2.63 2.45 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 97 R 7.71 3.42 0.00 0.73 1.36 0.00 3.15 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 98 D 7.91 4.97 0.00 2.79 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 99 M 8.06 4.39 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00