NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.7592 8.3033 117.8320 55.6625 30.3975 173.9334 4 E 4.1674 8.1044 117.4137 56.7691 29.2938 175.3006 5 H 4.7597 8.0339 114.6471 55.3788 31.2648 172.8314 6 C 4.3004 7.6852 121.0869 58.8954 32.2808 172.7334 7 C 4.2347 8.4842 129.0527 57.5060 42.1406 172.0807 8 S 4.3491 7.5754 116.1224 57.9112 65.5858 174.0347 9 E 3.7398 8.6196 119.9857 60.1195 29.0562 179.4791 10 E 3.9272 8.0035 117.6945 59.2450 29.5610 178.6644 11 D 4.3116 7.8311 118.9307 58.0214 40.9048 178.9022 12 H 4.1612 8.1665 115.0407 58.3411 28.5630 177.5595 13 R 3.8834 7.6727 121.6211 59.2390 29.8773 178.5108 14 I 3.6913 7.9133 119.9418 64.2267 37.0298 178.5573 15 V 2.8947 7.5032 118.9858 65.8740 31.2541 178.0492 16 Q 4.0853 8.1716 118.0082 58.8536 28.4662 178.8479 17 K 4.0378 8.1199 120.5823 59.7722 32.0820 178.9874 18 Q 4.1371 8.2263 117.1320 58.6100 28.9835 178.1588 19 W 4.6573 8.9859 129.7393 60.7453 30.8441 177.2924 20 D 4.6068 8.5269 118.0232 57.8086 40.5859 178.3006 21 I 3.5811 7.3477 119.5131 64.4255 36.8350 178.0419 22 L 3.4613 7.0438 118.2403 55.7716 41.3028 177.7814 23 W 4.8780 6.9714 117.7525 56.2230 29.7907 177.3707 24 R 3.9377 7.3728 120.1174 58.5024 29.6337 176.1930 25 D 5.1085 7.2645 114.7251 51.1508 42.0030 176.3064 26 T 4.0916 8.3739 109.7052 64.2145 69.5924 174.6801 27 E 4.4768 7.9396 123.3194 55.8002 29.6872 178.0891 28 S 4.4029 8.1900 116.8748 61.7643 63.2440 175.6529 29 S 4.0566 8.1183 117.2863 61.1344 62.6486 176.1558 30 K 3.8964 8.1118 122.8162 59.3119 31.8643 178.6252 31 I 3.7679 7.6622 119.7785 64.2530 37.0322 178.5116 32 K 4.2170 9.0282 120.3077 59.6507 31.8605 179.3820 33 I 3.7771 8.4331 120.3129 64.3933 37.0442 178.3372 34 G 3.8462 8.1770 106.4029 48.1434 0.0000 175.3026 35 F 4.5180 8.6848 123.8315 60.6628 39.5177 177.3985 36 G 3.5796 8.6392 105.8081 47.7778 0.0000 175.4329 37 R 4.0268 8.2259 121.7410 59.0127 30.0758 178.0476 38 L 3.9302 8.0451 120.0599 58.2734 41.9538 178.8784 39 L 3.8012 7.7208 118.5117 57.9921 41.5323 179.7248 40 L 4.0979 7.9426 118.7353 57.8430 41.5207 179.5645 41 T 3.8337 8.1968 116.0444 66.6777 68.5192 176.4554 42 K 3.9536 8.2397 121.4548 59.2374 32.1798 178.5316 43 L 3.9959 8.2624 120.7976 58.2297 41.9431 178.9126 44 A 4.1939 8.4652 121.1237 54.9680 18.0754 179.2886 45 K 3.8099 7.9616 117.3225 59.9275 32.2754 178.2172 46 D 4.8223 7.8564 117.1433 55.2087 41.8764 176.4847 47 I 4.5380 7.7969 120.0682 57.4445 38.5567 173.6368 48 P 4.5537 0.0000 0.0000 65.0323 30.8910 177.9543 49 E 4.0260 8.3067 116.5668 59.0926 29.1109 179.2124 50 V 3.4634 8.0409 119.8334 65.8599 31.3062 177.2670 51 N 4.3670 7.8899 115.2222 56.8150 38.6823 176.6782 52 D 4.4864 7.9389 120.0084 57.3400 40.7230 178.6436 53 L 3.9129 7.8475 117.9109 56.9687 41.7489 178.4265 54 F 5.0153 7.5852 116.0744 57.1829 39.7833 177.8266 55 K 3.9656 8.0393 122.8265 59.7730 31.7881 178.5458 56 R 3.9320 8.0984 117.6290 58.9657 30.1319 177.0647 57 V 4.1561 7.9391 108.8645 60.3522 32.6773 174.8278 58 D 4.3830 8.1719 118.7607 55.1584 39.4476 174.9378 59 I 2.3904 7.6448 119.5062 63.4532 38.6231 176.0093 60 E 3.8941 8.1725 120.2098 58.8884 29.7660 176.6750 61 H 4.7799 7.8619 114.4919 53.0086 28.5828 173.7642 62 A 3.4632 7.9782 124.5820 55.1198 18.5972 179.0976 63 E 4.2160 8.1490 111.1788 57.6961 30.4612 177.7586 64 G 3.9146 8.6802 108.4455 43.7205 0.0000 172.7124 65 P 4.3530 0.0000 0.0000 65.4810 31.1279 178.6575 66 K 3.8885 8.1541 117.9204 59.7272 32.0772 178.8156 67 F 4.4067 8.1574 121.2624 60.3773 39.4167 177.3258 68 S 4.0594 8.2133 114.9742 61.5400 62.6916 176.3694 69 A 3.9761 7.9805 123.3257 55.4980 18.0525 179.1707 70 H 3.9815 7.9643 116.5265 59.2159 29.9251 177.2034 71 A 3.6362 7.9701 122.9614 55.1186 18.0451 179.6403 72 L 3.9254 7.8815 117.3439 57.7936 41.6988 179.6844 73 R 3.8284 7.8737 118.6586 59.4046 29.9527 178.4465 74 I 3.6655 7.7166 118.4591 64.0825 37.9429 177.7879 75 L 4.2006 7.9929 119.8488 58.1208 41.4743 179.3680 76 N 4.5602 8.7457 116.8602 55.8055 38.4949 177.7609 77 G 3.6397 8.1195 107.4909 47.8917 0.0000 175.5799 78 L 4.0299 8.3017 123.6661 57.6727 42.0760 178.4895 79 D 4.4371 8.6642 118.6237 56.9739 40.9099 178.0031 80 L 3.9127 8.1201 120.4974 58.0032 42.4440 178.5104 81 A 4.0982 7.7667 120.0874 55.2784 18.4562 179.4791 82 I 3.4551 7.5951 118.2254 64.6610 37.0035 177.9859 83 N 4.7102 8.1528 113.9605 54.3962 38.6167 175.5952 84 L 4.6410 7.4815 120.0379 54.2129 42.5330 178.2035 85 L 3.7774 7.6200 120.5086 57.7642 41.5368 177.5828 86 D 4.4983 7.7895 115.1998 54.4105 41.4255 176.2033 87 D 4.7227 8.1003 118.1495 50.5898 41.7270 173.2018 88 P 4.2167 0.0000 0.0000 65.3564 31.3580 176.6938 89 P 4.2072 0.0000 0.0000 65.3174 31.2634 178.1663 90 A 3.9856 7.9760 120.8264 54.5500 18.2572 179.3606 91 L 3.8527 8.0086 118.9491 58.4509 42.2140 178.8640 92 D 4.3442 8.4480 118.9788 57.3199 40.7747 178.6711 93 A 3.9706 8.0695 120.8845 55.1686 18.4113 179.5153 94 A 3.9601 8.1227 119.2310 55.4684 18.4459 179.9169 95 L 4.0410 8.4962 117.8020 57.5133 41.6985 179.1541 96 D 4.2439 8.5719 118.7212 57.4948 41.1820 177.5942 97 H 4.1685 8.2779 118.6712 59.5025 29.8798 177.0383 98 L 4.1803 7.9920 120.3268 57.7574 41.3554 179.2383 99 A 4.4519 8.1913 122.3717 54.9922 18.3064 179.3854 100 H 4.0753 8.1267 114.4286 59.2506 28.5817 178.0585 101 Q 4.0079 7.7841 118.4799 59.0715 28.7587 178.1375 102 H 4.5180 8.2502 116.6831 57.4604 28.8721 177.0973 103 E 3.8703 8.1512 121.5116 59.5370 29.4073 178.3625 104 V 3.8579 7.7766 107.4533 61.9344 31.2177 175.8241 105 R 4.5076 7.8161 121.4313 53.8686 31.2164 175.3786 106 E 4.1899 8.6030 122.2872 57.0648 30.4011 175.4630 107 G 4.1536 9.1800 112.6243 46.1020 0.0000 174.5877 108 V 3.7594 7.0479 120.0348 62.9906 31.9399 174.9905 109 Q 4.6883 8.3846 123.6067 53.1485 32.1065 175.7854 110 K 3.8460 8.8191 117.7675 59.9941 32.0167 179.0213 111 A 4.0615 8.0646 120.1959 55.6015 18.2391 179.1893 112 H 4.2961 8.3409 114.5285 59.2964 28.8603 178.1358 113 F 4.0541 8.5297 118.8532 59.9603 38.6355 177.6400 114 K 4.0665 8.2697 119.8367 59.2608 31.9609 178.8239 115 K 4.1374 8.0718 119.5644 59.4580 32.1518 178.4012 116 F 4.1700 8.5004 121.1295 61.3270 39.1823 177.0017 117 G 3.8657 8.2190 105.2129 48.0852 0.0000 175.3097 118 E 3.9644 7.8755 120.9051 59.3078 29.5345 179.3814 119 I 3.5766 7.8375 119.9053 64.4114 37.1007 178.3192 120 L 3.6605 8.0456 121.1859 57.9404 41.6679 178.8651 121 A 4.0590 7.9996 120.0126 55.4150 18.3572 179.5182 122 T 4.0182 7.9636 113.8587 66.5957 68.8625 177.1013 123 G 3.7468 8.1671 107.7675 47.6253 0.0000 175.5636 124 L 3.7523 7.8450 121.9781 57.0250 40.3258 178.0207 125 P 4.3977 0.0000 0.0000 64.6648 30.9713 177.8681 126 Q 3.8939 7.6500 116.7474 57.5411 28.6947 176.8784 127 V 3.9892 6.6838 111.9083 61.2287 33.8027 175.8341 128 L 4.3747 7.9703 121.1661 53.0841 42.3923 176.5331 129 D 4.6262 8.5422 122.3775 53.5146 39.7774 175.6606 130 D 4.5924 7.7619 118.7686 52.9279 42.7739 174.1705 131 Y 4.5793 8.3698 127.8077 55.2603 41.0536 174.7429 132 D 4.5216 8.5992 127.3896 53.0495 41.4670 176.1555 133 A 3.7172 8.3208 130.2962 54.9829 18.4185 179.0080 134 L 3.9400 7.8768 116.8086 57.8868 41.8837 179.3238 135 A 3.9372 9.0198 121.1333 54.9375 18.2971 179.7807 136 W 3.8729 8.1907 117.5172 59.4955 29.1358 178.5638 137 K 4.0113 8.2592 119.9030 59.7021 31.8229 178.9866 138 S 4.1682 8.0708 114.4161 61.6759 63.0443 175.7756 139 C 4.2643 8.1788 120.2627 59.6960 36.4948 176.0761 140 L 3.9981 8.6409 120.9181 57.5237 41.0796 179.5141 141 K 4.0681 8.3172 119.8121 59.3881 32.2974 178.8770 142 G 3.7051 7.9093 105.5093 48.0011 0.0000 175.5808 143 I 3.7147 7.6223 122.2992 64.0985 37.0126 178.6281 144 L 4.2559 8.5325 120.0787 58.1993 41.2964 179.8936 145 T 3.8741 8.3046 116.1341 66.3992 68.1738 176.8240 146 K 3.9049 7.7221 120.3250 59.5486 32.6283 178.7619 147 I 3.7795 7.8698 120.3507 63.2202 36.7601 177.4032 148 S 4.1445 6.8283 112.4366 57.9268 63.6439 175.7636 149 S 4.2191 7.5646 119.7422 61.7322 62.4145 176.0039 150 R 4.2736 7.5480 117.7689 56.1475 29.5800 176.3545 151 L 4.2632 7.4480 124.0208 54.8794 41.8325 176.3363 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 3 H 8.30 4.76 0.00 3.19 3.34 0.00 5.58 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.10 4.17 0.00 1.76 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 2.24 2.40 0.00 5 H 8.03 4.76 0.00 3.11 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 7.69 4.30 0.00 2.95 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 7 C 8.48 4.23 0.00 3.06 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 8 S 7.58 4.35 0.00 4.06 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 9 E 8.62 3.74 0.00 1.94 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 2.38 2.34 0.00 10 E 8.00 3.93 0.00 1.93 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 0.00 2.36 2.32 0.00 11 D 7.83 4.31 0.00 2.77 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 12 H 8.17 4.16 0.00 3.25 3.48 0.00 5.28 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 13 R 7.67 3.88 0.00 1.95 2.05 0.00 3.09 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 14 I 7.91 3.69 1.94 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 1.63 0.89 0.93 0.00 0.00 15 V 7.50 2.89 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 -0.18 0.00 0.00 0.08 0.00 0.00 16 Q 8.17 4.09 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 17 K 8.12 4.04 0.00 2.01 2.00 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.53 7.81 18 Q 8.23 4.14 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.72 2.66 0.00 19 W 8.99 4.66 0.00 3.95 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 20 D 8.53 4.61 0.00 3.24 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 21 I 7.35 3.58 1.96 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 1.48 0.77 0.77 0.00 0.00 22 L 7.04 3.46 0.00 0.27 0.13 -0.13 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 23 W 6.97 4.88 0.00 3.35 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 24 R 7.37 3.94 0.00 1.77 2.00 0.00 3.25 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 1.62 1.69 0.00 25 D 7.26 5.11 0.00 2.87 2.59 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 26 T 8.37 4.09 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 27 E 7.94 4.48 0.00 2.03 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 2.38 2.24 0.00 28 S 8.19 4.40 0.00 4.19 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 29 S 8.12 4.06 0.00 4.08 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 0.00 30 K 8.11 3.90 0.00 1.91 2.05 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.63 7.81 31 I 7.66 3.77 2.21 0.00 0.00 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 1.45 0.43 0.76 0.00 0.00 32 K 9.03 4.22 0.00 2.01 1.93 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.63 7.81 33 I 8.43 3.78 1.96 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 1.61 0.79 0.95 0.00 0.00 34 G 8.18 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 35 F 8.68 4.52 0.00 3.13 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 36 G 8.64 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.23 4.03 0.00 2.05 2.22 0.00 3.35 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 38 L 8.05 3.93 0.00 1.90 1.84 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.72 3.80 0.00 1.79 1.55 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.94 4.10 0.00 1.82 1.62 0.45 0.71 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 41 T 8.20 3.83 4.55 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 1.20 0.00 0.00 42 K 8.24 3.95 0.00 1.94 1.98 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 43 L 8.26 4.00 0.00 2.06 1.97 1.08 1.38 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 44 A 8.47 4.19 1.44 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 0.00 0.00 45 K 7.96 3.81 0.00 1.90 2.06 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 46 D 7.86 4.82 0.00 2.74 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 47 I 7.80 4.54 1.91 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 1.41 0.80 0.99 0.00 0.00 48 P 0.00 4.55 0.00 2.26 2.33 0.00 3.90 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.91 0.00 49 E 8.31 4.03 0.00 2.23 2.29 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 2.42 2.39 0.00 50 V 8.04 3.46 2.26 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 1.28 0.00 0.00 0.75 0.00 0.00 51 N 7.89 4.37 0.00 2.94 2.90 0.00 0.00 7.08 7.34 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 52 D 7.94 4.49 0.00 2.75 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 53 L 7.85 3.91 0.00 1.14 1.24 0.72 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.59 5.02 0.00 3.18 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 55 K 8.04 3.97 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 56 R 8.10 3.93 0.00 1.83 2.00 0.00 3.47 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 57 V 7.94 4.16 2.20 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 0.87 0.00 0.00 1.20 0.00 0.00 58 D 8.17 4.38 0.00 2.99 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 59 I 7.64 2.39 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.27 0.97 0.00 0.00 60 E 8.17 3.89 0.00 1.93 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 0.00 2.11 2.29 0.00 61 H 7.86 4.78 0.00 3.41 3.39 0.00 5.90 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 62 A 7.98 3.46 1.16 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 0.00 0.00 63 E 8.15 4.22 0.00 2.13 2.12 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 2.31 2.27 0.00 64 G 8.68 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 65 P 0.00 4.35 0.00 2.30 2.34 0.00 3.74 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 2.09 2.07 0.00 66 K 8.15 3.89 0.00 1.86 2.21 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.57 1.49 7.81 67 F 8.16 4.41 0.00 3.37 3.26 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 68 S 8.21 4.06 0.00 4.16 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 69 A 7.98 3.98 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 70 H 7.96 3.98 0.00 3.14 3.17 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 71 A 7.97 3.64 1.16 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 0.00 0.00 72 L 7.88 3.93 0.00 1.89 1.70 0.91 0.63 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 73 R 7.87 3.83 0.00 2.04 1.84 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 74 I 7.72 3.67 1.72 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 1.57 1.41 0.79 0.00 0.00 75 L 7.99 4.20 0.00 2.01 1.83 1.61 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.75 4.56 0.00 2.93 2.86 0.00 0.00 6.91 7.39 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 77 G 8.12 3.64 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 0.00 0.00 0.00 78 L 8.30 4.03 0.00 1.87 1.97 0.92 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.66 4.44 0.00 3.18 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 80 L 8.12 3.91 0.00 1.73 1.97 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.77 4.10 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 82 I 7.60 3.46 1.47 0.00 0.00 -0.33 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 0.82 0.69 0.00 0.00 83 N 8.15 4.71 0.00 2.86 2.89 0.00 0.00 6.95 7.43 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 84 L 7.48 4.64 0.00 1.66 1.60 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.62 3.78 0.00 1.58 1.49 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.79 4.50 0.00 2.58 2.62 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 87 D 8.10 4.72 0.00 2.61 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 0.00 0.00 0.00 0.00 88 P 0.00 4.22 0.00 2.28 2.30 0.00 3.73 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 2.07 2.04 0.00 89 P 0.00 4.21 0.00 2.27 2.34 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 90 A 7.98 3.99 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 L 8.01 3.85 0.00 1.93 1.87 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.45 4.34 0.00 2.99 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 93 A 8.07 3.97 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 94 A 8.12 3.96 1.40 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 95 L 8.50 4.04 0.00 1.64 1.71 0.91 0.98 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 96 D 8.57 4.24 0.00 2.87 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 97 H 8.28 4.17 0.00 3.41 3.51 0.00 5.84 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 98 L 7.99 4.18 0.00 1.96 1.80 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.19 4.45 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 0.00 100 H 8.13 4.08 0.00 3.29 3.32 0.00 5.63 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 0.00 101 Q 7.78 4.01 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 102 H 8.25 4.52 0.00 3.24 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.15 3.87 0.00 1.97 2.15 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 2.32 2.42 0.00 104 V 7.78 3.86 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 0.78 0.00 0.00 0.98 0.00 0.00 105 R 7.82 4.51 0.00 1.89 1.78 0.00 3.26 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 106 E 8.60 4.19 0.00 2.06 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 0.00 2.26 2.28 0.00 107 G 9.18 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 0.00 0.00 0.00 108 V 7.05 3.76 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 1.05 0.00 0.00 0.89 0.00 0.00 109 Q 8.38 4.69 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.57 0.00 0.00 0.00 0.00 0.00 1.86 2.16 0.00 110 K 8.82 3.85 0.00 1.82 1.94 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.50 7.81 111 A 8.06 4.06 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 0.00 112 H 8.34 4.30 0.00 3.51 3.34 0.00 5.64 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 0.00 113 F 8.53 4.05 0.00 3.29 3.22 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 0.00 114 K 8.27 4.07 0.00 1.94 2.03 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 115 K 8.07 4.14 0.00 2.13 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.65 7.81 116 F 8.50 4.17 0.00 3.07 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 0.00 117 G 8.22 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 0.00 118 E 7.88 3.96 0.00 2.18 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 2.36 2.51 0.00 119 I 7.84 3.58 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.74 0.00 0.00 120 L 8.05 3.66 0.00 1.26 1.68 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.00 4.06 1.44 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 0.00 0.00 122 T 7.96 4.02 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 1.16 0.00 0.00 123 G 8.17 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 0.00 124 L 7.84 3.75 0.00 1.01 1.02 0.66 0.94 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 0.00 125 P 0.00 4.40 0.00 2.01 1.77 0.00 3.30 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.50 0.00 126 Q 7.65 3.89 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 127 V 6.68 3.99 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 0.31 0.00 0.00 0.32 0.00 0.00 128 L 7.97 4.37 0.00 1.51 1.53 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.54 4.63 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 0.00 130 D 7.76 4.59 0.00 2.62 2.62 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 0.00 131 Y 8.37 4.58 0.00 2.75 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 0.00 132 D 8.60 4.52 0.00 2.87 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 0.00 133 A 8.32 3.72 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 0.00 134 L 7.88 3.94 0.00 1.87 1.72 0.93 0.98 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 0.00 135 A 9.02 3.94 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 0.00 136 W 8.19 3.87 0.00 3.26 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 0.00 137 K 8.26 4.01 0.00 2.04 2.05 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.53 7.81 138 S 8.07 4.17 0.00 4.15 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 0.00 139 C 8.18 4.26 0.00 2.90 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 0.00 140 L 8.64 4.00 0.00 1.88 1.87 1.24 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.32 4.07 0.00 2.01 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 142 G 7.91 3.71 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 0.00 143 I 7.62 3.71 2.04 0.00 0.00 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 1.50 0.66 0.96 0.00 0.00 144 L 8.53 4.26 0.00 1.80 1.99 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.30 3.87 4.40 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 1.18 0.00 0.00 146 K 7.72 3.90 0.00 1.93 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 147 I 7.87 3.78 1.80 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 1.58 0.98 0.81 0.00 0.00 148 S 6.83 4.14 0.00 3.54 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 0.00 149 S 7.56 4.22 0.00 3.96 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 0.00 150 R 7.55 4.27 0.00 1.72 2.06 0.00 2.86 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 151 L 7.45 4.26 0.00 1.65 1.49 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00