NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3950 8.1585 120.3310 54.6128 33.5115 174.0567 2 A 3.8040 8.4599 123.0100 53.4530 18.7105 173.9177 3 E 3.8926 9.8854 122.6082 57.1315 28.2865 175.3899 4 S 4.1891 7.6206 115.5136 61.2816 62.9680 175.8620 5 S 4.7169 7.9134 113.6210 58.3365 63.0782 173.1972 6 D 4.6335 7.9406 119.3651 54.9888 41.0205 175.5297 7 K 4.6263 7.7257 116.9340 54.4494 35.6111 175.4404 8 L 4.3618 7.8458 116.6717 55.5556 44.0095 176.4714 9 Y 5.5681 7.5923 114.4707 56.3562 42.7166 174.5143 10 R 5.2463 9.0673 121.2828 54.8130 33.8428 174.1986 11 V 5.2051 8.9202 124.3100 60.3674 35.2304 173.8398 12 E 4.4312 8.8372 119.2719 55.7836 33.2344 174.1453 13 Y 4.9449 8.1348 117.9733 57.8376 39.1807 175.4427 14 A 4.1862 9.1093 126.0929 51.2041 18.9883 178.7606 15 K 3.8984 8.7300 122.9753 59.6783 32.5808 177.1735 16 S 4.5138 7.3280 110.0493 57.2647 64.8846 173.9790 17 G 3.9510 8.3996 110.3243 46.1843 0.0000 175.3172 18 R 3.9734 7.9008 120.2387 57.3000 30.9501 176.8389 19 A 4.4597 7.4829 120.8334 50.7928 20.2506 176.0798 20 S 4.8432 8.1647 115.6923 56.4527 66.5805 173.8677 21 C 4.5536 8.9182 124.7756 59.1150 30.9871 174.5241 22 K 4.2616 9.2131 127.9781 58.0080 32.1082 177.9309 23 K 4.2667 8.2889 119.0415 57.8731 33.1038 176.5148 24 C 4.4841 7.9704 110.6606 57.3372 30.1365 174.2402 25 S 4.0129 7.9104 114.4637 59.7665 60.8913 171.7654 26 E 4.6961 7.4334 121.6404 55.2914 31.4493 174.8735 27 S 5.1182 8.3530 113.7480 57.5900 66.8319 173.1608 28 I 4.5791 8.0430 122.9035 59.2538 38.4205 174.0449 29 P 4.7647 0.0000 0.0000 62.7759 31.9827 176.0915 30 K 4.3901 8.9009 121.0606 56.0077 34.3921 175.2671 31 D 4.2833 8.5897 117.7094 55.3293 40.2039 172.4435 32 S 4.7918 7.6269 109.8494 56.5712 67.1025 171.3868 33 L 5.3359 8.5859 123.6629 53.6307 43.2809 175.4942 34 R 5.1051 9.1699 121.2732 55.0451 33.5243 173.6155 35 M 5.5921 9.2754 118.4420 53.9850 36.7200 174.1527 36 A 4.7122 8.7481 120.6827 50.3207 23.4143 175.0365 37 I 4.9391 7.7298 118.6727 59.8136 40.8781 175.2349 38 M 4.8096 8.8341 126.8252 54.3375 32.2862 175.9476 39 V 4.5489 8.2223 124.2187 59.1426 34.8353 175.1622 40 Q 4.5146 8.5911 121.7022 56.4297 29.0293 175.6110 41 S 4.5211 8.7020 119.4227 56.8135 63.2566 172.5269 42 P 4.4601 0.0000 0.0000 64.7160 31.4009 176.9136 43 M 4.5928 8.1285 116.0536 54.7900 34.0061 175.5370 44 F 4.9497 7.9675 118.8693 56.2127 42.7637 173.9977 45 D 4.4249 6.7512 124.3469 52.0694 41.0476 175.7820 46 G 3.9736 6.7558 107.1641 46.4105 0.0000 170.1624 47 K 5.0875 8.5244 119.8600 55.3239 33.8243 176.7981 48 V 4.5860 8.7898 117.3661 58.7161 35.8490 172.9601 49 P 4.5788 0.0000 0.0000 62.7536 32.5076 175.5928 50 H 4.5399 8.7493 122.1194 53.9251 29.4004 174.4436 51 W 4.5017 8.2244 123.8738 56.8320 30.6310 174.9057 52 Y 5.0601 8.6020 119.7912 56.2414 41.4267 173.3509 53 H 4.6782 8.9420 116.9438 56.1374 29.5062 176.4565 54 F 4.4442 9.4282 122.9424 61.6221 39.1295 177.7322 55 S 4.4054 8.1396 113.9622 60.5867 63.5202 175.9815 56 C 4.0984 8.0102 118.7213 62.0728 27.6810 175.4158 57 F 3.0147 7.3628 122.5666 60.9602 38.6090 177.0384 58 W 4.4691 7.0458 114.6049 58.4063 28.9851 178.1234 59 K 4.1366 7.6130 117.9249 58.8341 31.8424 178.7724 60 V 3.5286 7.1961 118.1056 63.7476 31.2879 177.0351 61 G 3.8979 7.6108 105.1837 45.7410 0.0000 173.0958 62 H 4.3298 7.5108 116.0484 55.2576 29.2828 175.5356 63 S 4.7324 8.4143 117.3982 57.9295 64.1458 173.5923 64 I 4.8391 8.3122 121.5864 59.7996 40.1375 175.4829 65 R 4.6918 9.6824 120.8353 56.1098 31.6227 175.7910 66 H 4.9672 8.2075 113.8722 53.0341 28.4505 171.7856 67 P 4.1591 0.0000 0.0000 66.3894 31.7386 178.8878 68 D 3.8620 7.6340 116.0323 54.3345 39.8200 176.8092 69 V 4.0165 7.6137 119.4424 64.7689 32.1712 176.6751 70 E 3.9652 7.8766 118.5481 58.1555 30.1617 175.8847 71 V 4.2246 7.8776 119.8515 60.9838 30.6401 174.3803 72 D 4.4978 8.7961 127.6578 55.3369 41.7733 177.6571 73 G 4.1219 8.9089 112.3343 46.4182 0.0000 174.9957 74 F 3.9991 7.7965 120.8520 61.3917 39.4146 177.3079 75 S 4.2885 8.2332 115.0762 60.8522 62.7538 174.8299 76 E 4.2921 7.9881 118.7850 57.4345 29.8168 177.0482 77 L 3.9514 7.0768 118.2906 54.3558 42.2857 177.7309 78 R 4.3799 8.8849 121.2252 55.2386 32.1985 177.8703 79 W 4.1582 8.8767 129.6320 60.9540 30.1545 177.6474 80 D 3.3700 7.8574 117.2347 56.6495 40.5473 177.6181 81 D 4.2499 7.7375 118.8593 56.6526 41.1584 178.4128 82 Q 3.6856 7.8957 118.6308 59.1944 28.6497 179.1440 83 Q 3.9761 8.1492 119.1654 58.7126 28.5561 178.8244 84 K 3.8891 7.5340 119.9730 59.0718 32.2800 179.1730 85 V 3.8592 8.2525 119.0352 66.0685 31.5627 178.2515 86 K 4.0263 8.4564 118.4237 59.3192 31.8159 179.2732 87 K 3.9039 8.2952 120.1044 59.8700 32.0318 179.0221 88 T 3.4743 8.2353 116.1737 66.2874 67.8083 176.6077 89 A 3.8885 7.8761 122.7901 55.0910 18.1891 179.5882 90 E 3.9926 8.0986 116.1634 59.1874 29.6480 178.7278 91 A 4.1915 8.0488 119.0770 52.2221 18.5819 177.9306 92 G 3.7000 7.5027 104.0503 46.2263 0.0000 174.5700 93 G 3.5450 7.9012 105.9112 44.5239 0.0000 174.2835 94 V 4.3492 7.2424 119.0322 59.8776 33.8120 175.9889 95 T 4.6228 8.4875 112.3211 61.0735 68.0455 174.0062 96 G 3.9468 7.8574 112.1407 45.1053 0.0000 175.0484 97 K 4.0714 8.4970 117.8836 57.2849 32.8948 180.0112 98 G 3.8567 7.3254 106.4647 45.9741 0.0000 173.6555 99 Q 4.2305 8.5098 122.2665 55.9365 29.4212 175.6036 100 D 4.4838 8.5237 118.6908 55.4608 41.7546 176.8683 101 G 3.9914 7.8054 107.2833 45.6156 0.0000 173.0479 102 I 4.9294 8.6462 114.9135 60.6631 41.6761 174.0277 103 G 3.4994 8.4026 113.3078 45.7254 0.0000 173.5424 104 S 4.4708 7.6626 117.0991 57.0235 63.9573 173.8998 105 K 3.9082 8.4567 123.5479 57.8121 32.4257 176.3400 106 A 3.8042 8.5405 127.3599 53.1872 16.0453 177.4256 107 E 4.2499 8.3320 115.7409 58.3518 30.5232 176.7214 108 K 4.1732 7.8254 124.2823 56.7145 32.4177 175.9231 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 M 8.16 4.40 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 2 A 8.46 3.80 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 3 E 9.89 3.89 0.00 2.14 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 0.00 2.31 2.25 0.00 4 S 7.62 4.19 0.00 3.93 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 5 S 7.91 4.72 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 6 D 7.94 4.63 0.00 2.62 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 7 K 7.73 4.63 0.00 1.65 1.79 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.42 7.81 8 L 7.85 4.36 0.00 0.27 0.56 0.62 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.59 5.57 0.00 3.01 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 10 R 9.07 5.25 0.00 1.77 1.44 0.00 3.48 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.52 0.00 11 V 8.92 5.21 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 0.87 0.00 0.00 1.06 0.00 0.00 12 E 8.84 4.43 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 2.46 2.26 0.00 13 Y 8.13 4.94 0.00 2.92 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 14 A 9.11 4.19 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 15 K 8.73 3.90 0.00 1.68 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 S 7.33 4.51 0.00 3.73 3.62 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 17 G 8.40 3.95 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 0.00 0.00 0.00 18 R 7.90 3.97 0.00 1.68 1.91 0.00 3.32 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 19 A 7.48 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.16 4.84 0.00 3.84 3.86 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 21 C 8.92 4.55 0.00 2.91 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 22 K 9.21 4.26 0.00 1.96 1.93 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.67 1.42 7.81 23 K 8.29 4.27 0.00 1.48 1.73 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.36 7.81 24 C 7.97 4.48 0.00 3.16 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 25 S 7.91 4.01 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 26 E 7.43 4.70 0.00 2.21 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 2.46 2.45 0.00 27 S 8.35 5.12 0.00 3.81 3.74 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 28 I 8.04 4.58 1.81 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 1.08 1.13 0.94 0.00 0.00 29 P 0.00 4.76 0.00 2.10 2.05 0.00 3.90 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 30 K 8.90 4.39 0.00 1.76 1.71 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.36 7.81 31 D 8.59 4.28 0.00 2.73 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 32 S 7.63 4.79 0.00 3.92 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 33 L 8.59 5.34 0.00 1.77 1.59 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.17 5.11 0.00 2.23 2.07 0.00 2.57 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 35 M 9.28 5.59 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 36 A 8.75 4.71 -0.11 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 0.00 0.00 37 I 7.73 4.94 1.91 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.82 0.00 0.00 38 M 8.83 4.81 0.00 1.75 2.08 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 39 V 8.22 4.55 1.91 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 0.65 0.00 0.00 0.86 0.00 0.00 40 Q 8.59 4.51 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 41 S 8.70 4.52 0.00 4.00 4.16 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 42 P 0.00 4.46 0.00 2.10 2.11 0.00 3.72 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 2.05 2.11 0.00 43 M 8.13 4.59 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 44 F 7.97 4.95 0.00 2.92 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 45 D 6.75 4.42 0.00 2.32 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 0.00 0.00 0.00 46 G 6.76 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 47 K 8.52 5.09 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 48 V 8.79 4.59 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 0.76 0.00 0.00 1.01 0.00 0.00 49 P 0.00 4.58 0.00 0.63 1.47 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 50 H 8.75 4.54 0.00 2.94 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.22 4.50 0.00 3.36 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 52 Y 8.60 5.06 0.00 3.02 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 53 H 8.94 4.68 0.00 3.31 3.43 0.00 5.83 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.43 4.44 0.00 3.35 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 55 S 8.14 4.41 0.00 4.09 4.18 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 56 C 8.01 4.10 0.00 3.34 2.89 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 57 F 7.36 3.01 0.00 2.75 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 0.00 0.00 0.00 0.00 58 W 7.05 4.47 0.00 3.46 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 59 K 7.61 4.14 0.00 1.74 1.78 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.64 7.81 60 V 7.20 3.53 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 0.42 0.00 0.00 0.35 0.00 0.00 61 G 7.61 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 62 H 7.51 4.33 0.00 2.51 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.41 4.73 0.00 4.08 3.95 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 64 I 8.31 4.84 2.01 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 1.02 0.00 0.00 65 R 9.68 4.69 0.00 1.89 2.06 0.00 3.27 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 66 H 8.21 4.97 0.00 3.27 3.35 0.00 5.48 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.16 0.00 1.92 2.30 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 68 D 7.63 3.86 0.00 2.74 2.38 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 69 V 7.61 4.02 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 0.75 0.00 0.00 0.97 0.00 0.00 70 E 7.88 3.97 0.00 2.17 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 0.00 2.16 2.07 0.00 71 V 7.88 4.22 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 1.00 0.00 0.00 0.93 0.00 0.00 72 D 8.80 4.50 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 73 G 8.91 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 74 F 7.80 4.00 0.00 3.25 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 75 S 8.23 4.29 0.00 3.95 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 76 E 7.99 4.29 0.00 1.99 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 2.32 2.44 0.00 77 L 7.08 3.95 0.00 1.32 1.30 0.53 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.88 4.38 0.00 1.93 1.99 0.00 3.38 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 79 W 8.88 4.16 0.00 3.37 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 80 D 7.86 3.37 0.00 2.01 2.38 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 81 D 7.74 4.25 0.00 2.82 2.54 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 82 Q 7.90 3.69 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 83 Q 8.15 3.98 0.00 1.71 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.13 0.00 84 K 7.53 3.89 0.00 1.73 1.83 0.00 1.47 0.00 0.00 1.35 0.00 0.00 2.69 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 85 V 8.25 3.86 2.43 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 1.23 0.00 0.00 1.03 0.00 0.00 86 K 8.46 4.03 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.86 7.81 87 K 8.30 3.90 0.00 1.85 1.77 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 88 T 8.24 3.47 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 -0.37 0.00 0.00 89 A 7.88 3.89 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 90 E 8.10 3.99 0.00 2.07 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 2.34 2.48 0.00 91 A 8.05 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.50 3.70 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 0.00 0.00 0.00 93 G 7.90 3.54 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 0.00 94 V 7.24 4.35 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 0.68 0.00 0.00 0.90 0.00 0.00 95 T 8.49 4.62 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 1.26 0.00 0.00 96 G 7.86 3.95 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 0.00 0.00 0.00 97 K 8.50 4.07 0.00 1.77 1.89 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.44 7.81 98 G 7.33 3.86 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 0.00 0.00 0.00 99 Q 8.51 4.23 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 100 D 8.52 4.48 0.00 2.62 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 0.00 101 G 7.81 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 0.00 102 I 8.65 4.93 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.72 0.92 0.00 0.00 103 G 8.40 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 0.00 0.00 0.00 104 S 7.66 4.47 0.00 3.87 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 0.00 105 K 8.46 3.91 0.00 1.70 1.70 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 106 A 8.54 3.80 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 0.00 107 E 8.33 4.25 0.00 2.09 2.16 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 2.31 2.33 0.00 108 K 7.83 4.17 0.00 1.74 1.73 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81