NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.6324 8.1476 120.6136 55.5414 34.4098 173.3989 3 I 4.8689 8.1577 113.3844 58.7323 40.3234 173.1934 4 R 4.7811 9.5076 124.0770 54.4721 35.2958 175.1974 5 G 4.5140 8.6722 106.6490 44.6735 0.0000 172.8981 6 I 4.8602 8.9705 123.4911 59.2776 40.7779 174.7139 7 R 5.1090 8.9250 124.2561 54.5407 33.0849 175.2030 8 G 4.8600 8.8067 108.5951 44.2576 0.0000 171.0577 9 A 5.0808 7.6607 120.0950 50.8984 22.8067 175.2399 10 T 5.7875 9.3268 115.6273 60.8908 71.8225 172.2262 11 T 5.1757 8.2735 112.8118 60.0245 71.7464 173.6219 12 V 4.4424 8.2235 116.6031 59.9430 33.6174 175.8304 13 E 4.2652 9.1676 122.8493 57.5308 30.0250 176.6921 14 R 4.6519 7.8344 115.8607 55.2835 34.3760 175.2257 15 D 4.6336 8.3837 121.7148 53.4055 39.8986 174.8339 16 T 4.6301 7.5639 118.6057 60.1058 73.3229 173.1604 17 E 3.8753 8.9450 125.8865 59.7343 29.5208 178.9423 18 E 3.8883 8.0813 118.4019 59.3493 29.7463 178.2924 19 E 4.0346 8.0725 118.8741 59.0732 29.6929 178.6040 20 I 3.6809 7.8343 119.9803 64.3643 37.1095 178.4711 21 L 3.9510 7.9047 119.8184 57.6184 41.4365 179.2786 22 Q 3.8942 8.4576 119.8539 59.3729 28.5890 178.6494 23 K 4.0082 8.3734 119.6197 59.2915 31.9663 179.7906 24 T 3.8447 8.1627 116.6753 66.3844 68.4938 176.5317 25 K 3.7162 8.1189 121.7631 59.9209 31.9221 178.7477 26 Q 4.1551 7.9688 116.7367 58.5017 28.7973 178.4764 27 L 4.0076 7.4221 120.7630 58.0551 42.2677 178.5448 28 L 3.8259 8.0711 119.3266 58.1916 41.6335 179.5194 29 E 3.8792 8.4765 118.3965 59.2477 29.2343 179.5109 30 K 3.9505 8.0206 119.6162 59.3350 32.3350 178.9944 31 I 3.6784 7.5990 119.5921 64.5535 37.1219 178.2952 32 I 3.8671 7.7719 120.5920 64.2485 36.9500 178.1313 33 E 3.8739 8.2438 120.0983 59.4443 29.3790 178.5985 34 E 3.9483 8.2809 117.7517 58.9317 29.6611 178.3057 35 N 4.6962 8.3885 113.2280 52.0179 39.3299 174.4126 36 H 4.1453 7.5884 115.9571 56.9358 27.0901 175.1273 37 T 4.2585 7.9323 115.0376 63.2039 69.3078 174.7805 38 K 4.7229 8.3136 124.9024 53.5201 34.7584 175.5674 39 P 2.9983 0.0000 0.0000 65.3210 30.8525 177.6101 40 E 4.1501 7.7404 114.0801 57.1606 30.2416 176.8310 41 D 4.4042 8.1236 120.0550 55.7586 41.3856 176.0932 42 V 4.2390 7.0019 119.8664 61.9603 32.1437 175.6976 43 V 3.8664 8.8797 128.9878 64.9592 31.7897 175.5870 44 Q 4.7348 7.3944 115.6387 56.0860 31.4508 171.6119 45 M 5.2696 8.7860 118.6716 53.7990 36.2363 173.6395 46 L 5.2866 9.1093 124.3454 52.9051 45.5288 175.3260 47 L 5.3131 8.8735 123.5262 52.8554 44.8817 175.6400 48 S 5.4206 9.1484 118.2370 56.4384 66.1981 172.8248 49 A 5.2906 8.4210 123.4357 49.9999 22.0409 176.1095 50 T 4.3876 8.5092 111.7047 60.4081 70.4957 172.5428 51 P 4.8327 0.0000 0.0000 63.3777 31.3115 176.4066 52 D 4.8784 8.3413 114.9017 53.5439 40.5849 174.5076 53 L 4.7943 7.6696 119.1953 53.7443 43.9778 175.8786 54 H 4.6932 9.2399 117.7829 55.1934 31.4404 174.6065 55 A 4.1277 8.5695 122.7714 54.6564 18.1575 177.7652 56 V 4.3167 6.9765 110.9529 60.2683 34.2111 173.5073 57 F 4.5160 8.3905 119.7111 56.5769 39.6642 175.2014 58 P 4.2681 0.0000 0.0000 65.6053 30.7419 178.3252 59 A 4.1058 8.0786 118.1493 53.9184 18.2770 178.9258 60 K 4.0437 7.9947 118.6173 58.8740 32.1875 178.5574 61 A 4.0365 8.3000 121.2995 54.7253 18.2028 179.6467 62 V 3.4182 7.3433 115.8744 65.6621 31.3753 177.5423 63 R 4.2018 7.8045 116.5625 57.6376 29.9466 176.2779 64 E 4.4589 7.4965 116.9063 56.4016 29.8521 175.3974 65 L 4.5481 7.6068 120.3675 52.5447 43.1601 176.4334 66 S 4.4578 8.5747 120.5429 60.0844 63.2420 175.1977 67 G 4.0926 9.1077 112.6480 45.4738 0.0000 173.8404 68 W 4.6305 8.3414 119.1686 56.7449 28.9866 177.9912 69 Q 4.0498 8.1582 117.8022 57.9686 28.0029 176.4279 70 Y 4.6559 7.5757 113.2347 57.1442 39.4974 175.5688 71 V 3.7508 7.5526 121.6272 62.0237 32.1161 173.8795 72 P 4.6346 0.0000 0.0000 62.8204 32.4963 175.7140 73 V 5.3492 8.0567 114.8881 60.5898 35.9779 173.8040 74 T 4.5440 8.3225 116.1460 61.3497 70.8595 172.2422 75 C 5.7188 8.4168 124.0602 58.1079 31.2768 172.3397 76 M 4.6166 8.0146 114.4311 54.6337 33.8032 173.4467 77 Q 4.6475 8.6345 122.2056 55.3320 29.8232 175.1594 78 E 4.3070 8.8711 128.6852 55.9739 30.3896 176.5728 79 M 4.2293 8.5778 122.6300 55.5020 31.9418 176.3373 80 D 4.5755 8.2179 120.7656 53.1240 40.1774 175.0799 81 V 3.9266 7.6460 123.3130 61.6276 32.7874 175.2696 82 T 4.2647 8.3207 123.6647 65.3327 68.3567 174.9763 83 G 4.0030 9.0530 115.4797 44.7442 0.0000 173.5152 84 G 3.7295 7.5892 108.5229 44.9027 0.0000 173.4812 85 L 3.9908 8.3131 123.2378 54.8328 42.4647 177.2486 86 K 4.2504 8.5165 125.3448 56.3777 33.5819 176.1765 87 K 3.7854 8.3449 116.9623 58.1582 30.3117 174.4910 88 C 5.3052 8.3951 118.2975 57.6877 34.7189 172.8756 89 I 5.1724 8.7579 126.0150 59.6541 39.9434 174.8344 90 R 5.2077 8.9643 124.4276 54.3234 34.5264 174.7416 91 V 4.8575 8.6354 120.2980 60.2090 35.3223 174.3406 92 M 5.0284 9.1712 122.7243 54.2541 34.8729 173.3840 93 M 4.8240 9.2158 127.7694 54.1400 34.5492 174.6567 94 T 4.9222 8.8228 124.2001 62.6650 70.2833 174.3622 95 V 4.8358 9.0951 120.3147 58.9546 35.4774 174.7780 96 Q 4.4089 8.7963 127.1614 57.3786 29.2167 175.4016 97 T 4.6739 8.6619 120.1065 61.3887 70.9895 172.8053 98 D 4.8655 8.4967 121.0070 53.4639 42.6932 176.4560 99 V 3.7808 7.5846 119.6904 61.8240 32.2386 174.2556 100 P 4.4141 0.0000 0.0000 62.2971 32.1493 176.9133 101 Q 3.9312 9.0083 123.4025 59.6635 28.8290 178.7158 102 D 4.8467 8.0640 112.4722 54.0218 39.2434 176.1621 103 Q 4.5727 8.5415 116.3754 55.5533 30.4694 175.7861 104 I 3.8433 7.5108 119.4553 61.2627 37.6317 175.6805 105 R 4.4682 8.4921 122.7794 54.9572 31.0768 175.3904 106 H 4.9914 8.6905 120.4952 54.2423 30.6098 174.6097 107 V 4.4536 8.4863 123.0386 61.5691 33.8370 174.3260 108 Y 4.7880 8.5713 123.7485 56.5274 41.0542 174.3848 109 L 4.8119 8.8596 124.4838 52.9141 45.4212 177.8313 110 E 3.7375 8.9147 119.5252 58.0156 26.8611 178.1395 111 K 4.1765 9.2605 126.0671 59.3299 31.8061 178.0972 112 A 4.2199 7.9883 120.9190 54.1595 18.1927 179.0801 113 V 3.8481 7.4152 109.6245 62.9510 31.6587 177.4973 114 V 4.1270 7.1850 117.7447 61.6687 31.8897 177.0674 115 L 4.0085 8.0082 120.7417 57.3630 41.6605 177.3787 116 R 4.2052 7.1943 119.4891 54.1669 31.6568 173.3112 117 P 4.8667 0.0000 0.0000 61.1321 31.6167 174.9809 118 D 4.1745 7.5232 122.1354 54.8756 38.9210 175.0645 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 2 M 8.15 4.63 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 3 I 8.16 4.87 1.87 0.00 0.00 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 1.35 0.72 0.91 0.00 0.00 4 R 9.51 4.78 0.00 1.71 1.85 0.00 3.29 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 5 G 8.67 4.51 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 0.00 6 I 8.97 4.86 1.91 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 1.25 0.86 0.93 0.00 0.00 7 R 8.92 5.11 0.00 1.79 1.79 0.00 3.24 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 8 G 8.81 4.86 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 9 A 7.66 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 9.33 5.79 4.19 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 1.25 0.00 0.00 11 T 8.27 5.18 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 1.28 0.00 0.00 12 V 8.22 4.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.96 0.00 0.00 13 E 9.17 4.27 0.00 1.92 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 2.28 2.31 0.00 14 R 7.83 4.65 0.00 1.80 1.75 0.00 3.20 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 15 D 8.38 4.63 0.00 2.60 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 16 T 7.56 4.63 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 1.24 0.00 0.00 17 E 8.94 3.88 0.00 2.00 1.96 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 2.37 2.38 0.00 18 E 8.08 3.89 0.00 2.06 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 0.00 2.36 2.35 0.00 19 E 8.07 4.03 0.00 2.06 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 0.00 2.36 2.38 0.00 20 I 7.83 3.68 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.90 0.00 0.00 21 L 7.90 3.95 0.00 1.82 1.69 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.46 3.89 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 K 8.37 4.01 0.00 1.89 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.60 7.81 24 T 8.16 3.84 4.22 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 1.19 0.00 0.00 25 K 8.12 3.72 0.00 1.79 1.97 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.38 7.81 26 Q 7.97 4.16 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 27 L 7.42 4.01 0.00 1.85 1.83 0.86 0.49 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 28 L 8.07 3.83 0.00 1.66 1.36 0.72 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.48 3.88 0.00 1.88 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 2.24 2.29 0.00 30 K 8.02 3.95 0.00 2.01 1.90 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 31 I 7.60 3.68 1.98 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 1.60 0.49 0.93 0.00 0.00 32 I 7.77 3.87 2.01 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.77 1.14 0.00 0.00 33 E 8.24 3.87 0.00 2.14 2.19 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 2.29 2.35 0.00 34 E 8.28 3.95 0.00 2.04 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 0.00 2.55 2.50 0.00 35 N 8.39 4.70 0.00 2.77 2.85 0.00 0.00 7.39 8.41 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 36 H 7.59 4.15 0.00 3.31 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.93 4.26 4.44 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 1.33 0.00 0.00 38 K 8.31 4.72 0.00 1.72 1.80 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.47 7.81 39 P 0.00 3.00 0.00 1.75 1.02 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 40 E 7.74 4.15 0.00 2.01 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 2.19 2.21 0.00 41 D 8.12 4.40 0.00 2.76 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 42 V 7.00 4.24 1.92 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 0.79 0.00 0.00 0.73 0.00 0.00 43 V 8.88 3.87 2.19 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 0.81 0.00 0.00 0.92 0.00 0.00 44 Q 7.39 4.73 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 45 M 8.79 5.27 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 46 L 9.11 5.29 0.00 1.57 1.51 0.93 0.39 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 47 L 8.87 5.31 0.00 1.58 1.54 0.94 0.42 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 48 S 9.15 5.42 0.00 3.86 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 49 A 8.42 5.29 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 50 T 8.51 4.39 4.29 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 1.21 0.00 0.00 51 P 0.00 4.83 0.00 2.22 2.19 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 52 D 8.34 4.88 0.00 2.75 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 53 L 7.67 4.79 0.00 1.52 1.52 0.89 1.00 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 54 H 9.24 4.69 0.00 3.05 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.57 4.13 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 56 V 6.98 4.32 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 0.69 0.00 0.00 0.94 0.00 0.00 57 F 8.39 4.52 0.00 3.09 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 58 P 0.00 4.27 0.00 2.18 2.11 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 59 A 8.08 4.11 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 60 K 7.99 4.04 0.00 2.06 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.52 7.81 61 A 8.30 4.04 1.31 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 0.00 0.00 62 V 7.34 3.42 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 1.11 0.00 0.00 0.94 0.00 0.00 63 R 7.80 4.20 0.00 1.87 2.20 0.00 3.46 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 64 E 7.50 4.46 0.00 2.05 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 0.00 2.25 2.23 0.00 65 L 7.61 4.55 0.00 1.47 1.10 -0.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.57 4.46 0.00 3.92 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 67 G 9.11 4.09 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 0.00 0.00 0.00 68 W 8.34 4.63 0.00 3.52 3.25 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 69 Q 8.16 4.05 0.00 1.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.83 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 70 Y 7.58 4.66 0.00 2.94 2.88 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 0.00 0.00 0.00 71 V 7.55 3.75 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 0.87 0.00 0.00 0.62 0.00 0.00 72 P 0.00 4.63 0.00 2.13 1.96 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 73 V 8.06 5.35 2.08 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 0.91 0.00 0.00 0.92 0.00 0.00 74 T 8.32 4.54 4.21 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 1.18 0.00 0.00 75 C 8.42 5.72 0.00 2.90 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 76 M 8.01 4.62 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 77 Q 8.63 4.65 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 78 E 8.87 4.31 0.00 2.01 1.94 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 2.33 2.31 0.00 79 M 8.58 4.23 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 80 D 8.22 4.58 0.00 2.64 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 81 V 7.65 3.93 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 0.95 0.00 0.00 0.94 0.00 0.00 82 T 8.32 4.26 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 1.21 0.00 0.00 83 G 9.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 3.73 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 0.00 0.00 0.00 85 L 8.31 3.99 0.00 1.62 1.62 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.52 4.25 0.00 1.79 1.72 0.00 1.97 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.40 7.81 87 K 8.34 3.79 0.00 1.96 1.94 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.47 7.81 88 C 8.40 5.31 0.00 2.95 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 89 I 8.76 5.17 1.84 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 1.22 0.63 0.93 0.00 0.00 90 R 8.96 5.21 0.00 1.70 1.73 0.00 3.07 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 91 V 8.64 4.86 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 0.71 0.00 0.00 0.93 0.00 0.00 92 M 9.17 5.03 0.00 2.11 1.96 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 2.50 2.50 0.00 93 M 9.22 4.82 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 94 T 8.82 4.92 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 95 V 9.10 4.84 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 0.74 0.00 0.00 0.95 0.00 0.00 96 Q 8.80 4.41 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 97 T 8.66 4.67 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 1.22 0.00 0.00 98 D 8.50 4.87 0.00 2.65 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 V 7.58 3.78 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 0.81 0.00 0.00 0.95 0.00 0.00 100 P 0.00 4.41 0.00 2.33 1.96 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 101 Q 9.01 3.93 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.11 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 102 D 8.06 4.85 0.00 2.84 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 0.00 103 Q 8.54 4.57 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 104 I 7.51 3.84 1.84 0.00 0.00 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 1.57 0.76 0.84 0.00 0.00 105 R 8.49 4.47 0.00 1.77 1.85 0.00 3.14 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 106 H 8.69 4.99 0.00 3.26 3.53 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.49 4.45 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 1.01 0.00 0.00 0.93 0.00 0.00 108 Y 8.57 4.79 0.00 2.83 2.87 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 0.00 109 L 8.86 4.81 0.00 1.50 1.51 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.91 3.74 0.00 2.18 1.57 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 2.27 2.42 0.00 111 K 9.26 4.18 0.00 1.80 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 112 A 7.99 4.22 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 0.00 113 V 7.42 3.85 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 0.99 0.00 0.00 1.03 0.00 0.00 114 V 7.18 4.13 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 0.87 0.00 0.00 0.92 0.00 0.00 115 L 8.01 4.01 0.00 1.77 1.83 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.19 4.21 0.00 1.15 0.74 0.00 3.14 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.54 0.00 117 P 0.00 4.87 0.00 2.12 2.01 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.07 0.00 118 D 7.52 4.17 0.00 2.72 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