NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5437 8.4293 116.1817 55.1070 30.3591 173.2770 2 C 4.1230 7.6260 114.0760 56.8554 30.1859 172.1586 3 D 4.5779 8.3287 118.6481 55.0843 40.1046 175.4894 4 L 4.0785 8.0114 120.7726 56.9697 42.2833 175.7536 5 P 4.5329 0.0000 0.0000 62.3555 32.2633 175.4130 6 C 4.2871 8.4620 113.5533 57.8292 30.6636 175.0022 7 G 3.9422 8.2432 107.5423 45.3875 0.0000 172.9259 8 V 4.2738 7.1923 119.2985 61.1884 32.4354 174.3756 9 Y 4.7174 8.1033 123.5897 56.7103 42.1233 174.4823 10 D 3.7156 7.8779 118.3199 51.7105 43.8694 174.6509 11 P 4.1028 0.0000 0.0000 64.4867 31.1774 178.1014 12 A 4.0080 8.3725 120.5311 54.9846 17.9985 179.6510 13 Q 3.7760 7.8802 116.4813 59.0851 28.7251 178.8583 14 A 4.0541 7.7693 121.1933 55.0709 18.4218 179.4251 15 R 3.8253 8.0987 117.2269 59.7550 30.3059 178.7595 16 I 3.7205 8.1054 119.9444 64.4723 37.0686 178.3690 17 E 3.9934 8.0365 119.1888 59.3590 29.3512 179.2280 18 A 4.0776 8.2741 120.8825 55.1158 18.2775 179.5741 19 E 3.9802 8.5376 117.7758 59.5861 29.4615 179.6829 20 S 4.1141 7.9234 114.8984 61.3613 62.8946 176.6714 21 V 3.5514 7.7396 120.9719 66.0486 31.2502 178.0213 22 K 4.1223 8.1048 118.9432 59.4841 32.0722 178.4976 23 A 4.0193 8.3309 121.3666 55.3498 18.2016 179.7285 24 I 3.7580 8.2831 118.7095 64.5390 37.1466 178.6504 25 Q 4.0083 8.1335 118.9682 59.0770 28.3103 178.7913 26 E 4.0402 8.2049 118.6707 59.3738 29.8614 179.2839 27 K 4.2277 8.2481 118.5967 59.6449 31.8068 179.3798 28 M 4.4077 8.5614 119.2063 58.3273 31.6939 178.3990 29 A 4.1302 8.0322 118.9413 53.8213 18.6298 178.2441 30 A 4.7166 7.6760 117.1113 50.8917 20.1585 176.1492 31 N 4.6965 7.7030 115.6351 52.1513 41.2239 173.2603 32 D 4.9013 8.6539 124.4764 53.1508 40.1070 176.4403 33 D 4.4686 8.4640 120.0277 54.4201 42.8129 176.4179 34 L 3.9397 8.5904 128.2074 58.9236 42.1691 179.1420 35 H 4.1844 8.3053 115.5176 58.6899 28.6960 177.4707 36 F 4.1495 8.8279 122.6718 61.3955 39.2403 177.2325 37 Q 3.9783 8.4233 117.7962 58.8076 28.3512 178.9788 38 I 3.6157 7.7553 120.7975 64.4489 37.1568 178.5522 39 R 3.8169 8.0510 118.7282 59.2896 29.8235 178.9780 40 A 3.7073 8.0103 120.6543 55.3233 18.2455 179.8751 41 T 3.7265 7.7492 114.1908 66.6111 68.4418 177.0781 42 V 3.5181 7.9305 120.3887 66.2408 31.5758 178.2370 43 I 4.0117 7.8826 121.0651 63.6158 36.9037 178.3557 44 K 3.9220 8.3237 120.9257 59.2735 32.0237 178.5086 45 E 3.9095 8.1298 119.7369 59.3442 29.3598 178.9086 46 Q 3.9734 7.8642 117.7610 59.1083 28.7590 178.9728 47 R 4.0202 8.2056 118.9454 59.1186 30.0977 178.9870 48 A 3.9929 8.2031 120.7551 55.0139 18.2878 179.3485 49 E 3.9022 8.1598 117.8473 59.3627 29.6565 179.0517 50 L 3.9188 8.0506 118.9132 57.6452 41.6506 179.2595 51 A 4.0508 8.2331 120.8494 55.1083 18.2149 179.8445 52 K 3.8938 8.1397 116.9418 59.7827 32.1168 178.9206 53 H 4.1131 8.3506 118.5177 59.7358 29.7585 176.9345 54 H 4.2127 8.2938 117.9502 58.9649 28.4863 177.8577 55 L 4.0823 8.0254 120.7727 57.8249 41.4505 179.1850 56 D 4.5224 8.4982 119.2869 57.5098 40.7663 179.1122 57 V 3.7477 8.0484 118.7104 65.9129 31.4579 178.0356 58 L 3.9131 8.0387 118.8132 57.5532 41.2684 179.3728 59 W 4.5999 8.4849 127.3482 60.6626 30.8130 177.7914 60 S 3.9761 8.8816 113.2618 60.4039 62.8724 175.1140 61 D 4.7085 8.3077 120.8105 55.9217 41.8511 177.4339 62 Y 3.4159 7.4815 118.1230 60.1871 38.9642 175.9049 63 F 3.9582 7.6905 118.0769 57.3112 39.4428 175.1634 64 K 4.5765 8.2493 123.8802 53.6238 35.1474 175.2436 65 P 4.4413 0.0000 0.0000 65.8773 31.0953 177.0010 66 P 4.2359 0.0000 0.0000 66.0830 31.1554 178.3375 67 H 4.3369 7.8820 114.8733 58.9268 28.3424 177.9121 68 F 4.3143 7.7611 118.1726 60.3250 38.8608 177.1840 69 E 4.1973 8.0753 117.8715 59.4275 29.3702 179.1140 70 S 4.3184 8.0827 114.3218 59.8008 64.1079 174.0201 71 Y 4.5823 7.9765 119.4590 54.7971 37.8888 174.1411 72 P 4.5092 0.0000 0.0000 64.4191 32.0281 177.0814 73 E 4.4905 8.0988 114.9690 56.2372 30.6285 177.6254 74 L 3.9063 8.2594 122.7988 58.7289 42.0857 178.0657 75 H 4.4213 8.4669 115.6472 59.6894 28.6718 177.6589 76 T 3.8229 7.9602 116.6179 66.3679 68.3275 176.3316 77 L 3.8213 8.1099 122.3447 58.2577 42.1978 179.3239 78 V 3.5701 8.0532 118.4406 65.8152 31.4598 177.4247 79 N 4.0343 8.0991 116.9173 56.7128 38.6807 176.7643 80 E 3.7392 8.3365 120.1261 58.9117 29.3715 179.2059 81 A 3.7925 7.4670 120.8161 55.3251 18.5338 180.2100 82 V 3.5941 7.6676 110.8690 64.3976 31.5318 179.0578 83 K 3.9795 8.0819 118.1678 59.2172 31.8414 179.2747 84 A 4.1066 8.1720 121.4792 55.0044 18.3009 179.7043 85 L 4.0261 7.9205 117.7748 57.9524 41.5229 179.8221 86 S 4.1199 8.1368 115.0935 61.5108 62.5161 176.5905 87 A 3.9946 7.8204 122.4796 54.9536 18.5136 179.2610 88 A 4.1773 7.9869 120.8112 54.5214 18.1582 180.0121 89 K 3.9335 7.7362 116.2562 59.4842 32.2639 178.6488 90 A 4.3289 7.4512 117.4455 51.8311 18.6629 176.8298 91 S 4.6666 7.2639 111.5671 56.9482 65.5843 173.8201 92 T 4.3280 8.3335 113.4592 61.3257 69.5252 173.9225 93 D 4.5289 8.3773 124.4425 53.1918 41.2330 174.9119 94 P 4.7168 0.0000 0.0000 64.9287 31.1686 178.3362 95 A 4.0006 8.5594 120.0755 55.1682 17.7769 179.7352 96 T 3.9654 8.2669 109.0873 64.8417 68.8678 177.2621 97 G 3.5923 8.0242 108.1982 47.5620 0.0000 175.3673 98 Q 3.9840 8.3835 122.2026 58.6630 29.1467 178.0836 99 K 3.7748 8.3200 120.7026 59.4405 32.1688 178.5846 100 A 4.1884 7.8702 120.6588 55.3261 18.3144 179.5965 101 L 3.9801 7.9738 117.5092 58.0107 41.5132 179.5310 102 D 4.3215 8.5163 119.2902 57.5827 40.7357 178.4641 103 Y 4.2830 7.7549 116.7162 61.2209 37.8890 178.6121 104 I 3.7968 8.2096 120.6571 64.3831 37.2029 178.3511 105 A 4.2381 8.3268 121.6909 55.2292 18.0152 179.7190 106 Q 4.0763 7.9392 116.8658 58.9969 28.8086 178.8081 107 I 3.8306 7.8916 121.1412 64.0828 37.1280 177.6971 108 D 4.3561 8.6688 119.4473 57.3112 41.0895 178.2893 109 K 4.0886 8.1209 119.8536 59.8086 32.2644 178.7996 110 I 3.5300 7.5864 119.9538 64.0584 37.0034 177.9869 111 F 4.0940 8.7884 121.8636 61.4279 39.1618 177.3970 112 W 4.1964 8.3905 118.2696 59.6185 28.7605 178.4768 113 E 4.1131 8.3417 119.0813 59.6217 28.7140 179.4357 114 T 4.0533 7.7939 108.7142 64.4994 68.8933 176.5653 115 K 4.0396 7.4470 120.7202 58.9798 32.1032 178.9843 116 K 4.2126 8.0686 117.8989 58.6827 32.2008 177.4228 117 A 4.3271 7.9100 124.9062 52.5411 18.4767 176.9442 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 H 8.43 4.54 0.00 3.22 3.28 0.00 5.48 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 2 C 7.63 4.12 0.00 3.10 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 3 D 8.33 4.58 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 4 L 8.01 4.08 0.00 1.59 1.73 0.91 0.97 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 5 P 0.00 4.53 0.00 2.29 2.09 0.00 3.81 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 2.00 1.98 0.00 6 C 8.46 4.29 0.00 3.00 2.97 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 7 G 8.24 3.94 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 0.00 0.00 0.00 8 V 7.19 4.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 9 Y 8.10 4.72 0.00 2.72 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 10 D 7.88 3.72 0.00 2.57 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 0.00 0.00 0.00 0.00 11 P 0.00 4.10 0.00 2.23 1.87 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.00 12 A 8.37 4.01 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 13 Q 7.88 3.78 0.00 1.81 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 14 A 7.77 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 15 R 8.10 3.83 0.00 1.90 2.08 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 16 I 8.11 3.72 1.86 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 0.94 0.91 0.00 0.00 17 E 8.04 3.99 0.00 2.13 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 0.00 2.58 2.54 0.00 18 A 8.27 4.08 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 19 E 8.54 3.98 0.00 2.19 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 2.34 2.55 0.00 20 S 7.92 4.11 0.00 4.10 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 21 V 7.74 3.55 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 1.00 0.00 0.00 1.01 0.00 0.00 22 K 8.10 4.12 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.59 7.81 23 A 8.33 4.02 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 24 I 8.28 3.76 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.89 0.00 0.00 25 Q 8.13 4.01 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 26 E 8.20 4.04 0.00 2.10 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 2.36 2.66 0.00 27 K 8.25 4.23 0.00 2.16 2.21 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.73 7.81 28 M 8.56 4.41 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 29 A 8.03 4.13 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 30 A 7.68 4.72 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 31 N 7.70 4.70 0.00 2.28 2.20 0.00 0.00 7.06 8.16 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 32 D 8.65 4.90 0.00 2.85 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 33 D 8.46 4.47 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 3.94 0.00 1.79 1.64 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.31 4.18 0.00 3.45 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.83 4.15 0.00 3.17 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 37 Q 8.42 3.98 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 38 I 7.76 3.62 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.88 0.00 0.00 39 R 8.05 3.82 0.00 1.69 1.90 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 40 A 8.01 3.71 0.83 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 0.00 0.00 41 T 7.75 3.73 4.32 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 1.17 0.00 0.00 42 V 7.93 3.52 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 1.00 0.00 0.00 0.92 0.00 0.00 43 I 7.88 4.01 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.89 0.00 0.00 44 K 8.32 3.92 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.13 3.91 0.00 2.30 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 2.29 2.38 0.00 46 Q 7.86 3.97 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 47 R 8.21 4.02 0.00 1.82 2.10 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 48 A 8.20 3.99 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 49 E 8.16 3.90 0.00 2.19 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 2.29 2.37 0.00 50 L 8.05 3.92 0.00 1.91 1.67 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.23 4.05 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 52 K 8.14 3.89 0.00 2.02 1.86 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.64 7.81 53 H 8.35 4.11 0.00 3.21 3.42 0.00 5.79 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 54 H 8.29 4.21 0.00 3.35 3.28 0.00 5.67 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 55 L 8.03 4.08 0.00 1.87 1.76 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.50 4.52 0.00 2.92 2.85 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 57 V 8.05 3.75 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 1.24 0.00 0.00 0.88 0.00 0.00 58 L 8.04 3.91 0.00 2.08 1.71 0.76 0.41 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 59 W 8.48 4.60 0.00 3.44 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 60 S 8.88 3.98 0.00 4.04 4.32 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 61 D 8.31 4.71 0.00 2.97 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 62 Y 7.48 3.42 0.00 1.43 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 63 F 7.69 3.96 0.00 2.94 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 0.00 0.00 0.00 64 K 8.25 4.58 0.00 1.46 1.57 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.16 7.81 65 P 0.00 4.44 0.00 2.15 2.16 0.00 3.58 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 2.12 2.25 0.00 66 P 0.00 4.24 0.00 1.96 2.03 0.00 3.39 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 67 H 7.88 4.34 0.00 2.90 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.76 4.31 0.00 3.16 3.02 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 69 E 8.08 4.20 0.00 2.12 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 2.38 2.56 0.00 70 S 8.08 4.32 0.00 3.92 3.47 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 71 Y 7.98 4.58 0.00 3.01 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 72 P 0.00 4.51 0.00 2.08 2.16 0.00 3.68 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 2.04 2.09 0.00 73 E 8.10 4.49 0.00 2.16 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 2.37 2.30 0.00 74 L 8.26 3.91 0.00 1.80 1.86 0.57 -0.50 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 75 H 8.47 4.42 0.00 3.27 3.36 0.00 5.68 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 76 T 7.96 3.82 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 1.19 0.00 0.00 77 L 8.11 3.82 0.00 1.86 1.92 1.08 0.77 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 78 V 8.05 3.57 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 0.97 0.00 0.00 1.17 0.00 0.00 79 N 8.10 4.03 0.00 2.70 2.76 0.00 0.00 7.21 7.24 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 80 E 8.34 3.74 0.00 1.44 1.20 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 2.18 2.40 0.00 81 A 7.47 3.79 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 82 V 7.67 3.59 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 0.91 0.00 0.00 0.85 0.00 0.00 83 K 8.08 3.98 0.00 1.92 1.80 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 84 A 8.17 4.11 1.56 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 0.00 0.00 85 L 7.92 4.03 0.00 1.89 1.73 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.14 4.12 0.00 4.04 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 87 A 7.82 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 88 A 7.99 4.18 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 89 K 7.74 3.93 0.00 1.96 2.02 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 90 A 7.45 4.33 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 91 S 7.26 4.67 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 4.33 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 1.21 0.00 0.00 93 D 8.38 4.53 0.00 2.68 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 94 P 0.00 4.72 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 95 A 8.56 4.00 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 96 T 8.27 3.97 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 1.22 0.00 0.00 97 G 8.02 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 98 Q 8.38 3.98 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 99 K 8.32 3.77 0.00 1.95 1.99 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.34 7.81 100 A 7.87 4.19 1.43 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 0.00 0.00 101 L 7.97 3.98 0.00 1.90 1.75 0.93 1.16 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 0.00 102 D 8.52 4.32 0.00 2.56 2.55 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 0.00 103 Y 7.75 4.28 0.00 3.24 2.91 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 0.00 104 I 8.21 3.80 2.06 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 1.50 0.72 0.94 0.00 0.00 105 A 8.33 4.24 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 0.00 106 Q 7.94 4.08 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 107 I 7.89 3.83 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 1.08 0.00 0.00 108 D 8.67 4.36 0.00 2.93 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 0.00 109 K 8.12 4.09 0.00 2.09 2.03 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.59 7.81 110 I 7.59 3.53 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.85 -0.17 0.00 0.00 111 F 8.79 4.09 0.00 2.96 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 0.00 112 W 8.39 4.20 0.00 3.54 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 0.00 113 E 8.34 4.11 0.00 2.29 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 2.45 2.58 0.00 114 T 7.79 4.05 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 1.27 0.00 0.00 115 K 7.45 4.04 0.00 1.91 1.91 0.00 1.52 0.00 0.00 1.09 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.32 0.21 7.81 116 K 8.07 4.21 0.00 1.82 1.91 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.82 7.81 117 A 7.91 4.33 1.36 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