NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.4391 8.1849 120.6320 54.4991 43.2874 175.6564 3 L 4.9148 9.0580 121.9693 52.5616 45.2915 174.7258 4 F 5.2023 9.0821 119.9729 55.7566 42.9787 174.9737 5 N 4.7477 9.3161 121.8369 52.4531 37.9733 174.5251 6 K 4.3107 8.5365 124.4930 56.2413 33.0537 177.0010 7 T 4.6718 8.2355 118.6732 61.5315 71.6115 174.0132 8 K 4.1828 9.0007 128.1951 59.0731 32.5830 176.7842 9 S 4.7931 7.6552 109.6463 57.0864 65.6495 173.3267 10 V 4.6005 8.2368 114.1009 59.5443 34.7343 174.7510 11 E 4.9165 8.6044 121.8677 54.4784 32.3766 174.8429 12 F 5.1015 8.4793 118.0285 55.6217 41.3459 173.0362 13 T 4.5097 8.7001 110.7796 59.4850 71.5995 174.3326 14 F 4.2689 8.9204 115.3725 60.0939 37.6844 176.8863 15 G 3.3419 6.4313 109.0850 47.5924 0.0000 173.3639 16 N 4.5140 7.6904 117.9389 53.3250 38.9016 174.7606 17 D 4.7788 8.7401 123.7728 56.3354 42.3414 176.2760 18 T 4.9991 7.7129 106.0411 60.0006 72.4887 173.6787 19 V 4.4231 8.5244 114.7979 59.4486 35.8267 174.7717 20 V 4.5361 8.1589 122.2193 61.1266 34.2034 174.7875 21 I 4.3525 8.1674 129.2197 58.6793 38.6027 173.3209 22 P 4.6044 0.0000 0.0000 63.0075 32.5200 177.0466 23 C 4.7177 8.4525 123.0694 55.8422 44.7136 172.6298 24 F 5.4129 8.9266 125.5406 55.6625 41.7565 174.4147 25 V 3.9222 9.2452 126.4353 62.2434 31.9893 176.8157 26 T 4.3046 8.9864 118.5088 62.4010 69.5115 174.5086 27 N 5.0189 7.5266 119.8020 52.3138 37.7720 174.3637 28 M 4.2869 8.0809 117.4944 56.9434 33.1710 175.0279 29 E 4.4872 9.4890 123.1612 56.8654 32.2504 177.0722 30 A 4.0465 8.3479 121.3297 52.8087 18.6601 176.8914 31 Q 4.5530 8.6277 120.4516 55.4959 29.7389 175.0770 32 N 4.9787 7.5880 117.1928 52.3328 42.1977 174.9489 33 T 4.3172 8.6493 114.6894 63.5594 69.4644 176.4136 34 T 4.0511 8.3369 119.2427 66.4368 68.6770 174.5123 35 E 4.6549 8.3929 119.5509 55.9048 30.9463 175.5850 36 V 5.0125 7.8295 120.1645 61.3625 34.8917 174.0226 37 Y 4.8529 8.9510 126.6530 56.1114 41.8894 173.9406 38 V 4.9938 8.5683 126.8412 61.4113 34.7458 174.6724 39 K 5.0041 8.9962 127.3390 55.1868 35.6418 174.4890 40 W 5.2969 9.9964 128.4540 55.0505 31.5970 175.4421 41 K 5.2621 9.4613 123.6230 54.8479 35.7826 175.4114 42 F 4.7094 9.1121 125.3691 57.0439 42.4864 174.5744 43 K 3.7241 9.1194 128.0489 57.3900 29.2332 175.3410 44 G 4.0844 8.1044 106.1689 45.2045 0.0000 173.3151 45 R 4.5019 7.4356 117.6002 54.4182 31.8417 175.6112 46 D 5.0284 8.5893 121.3744 54.3308 40.3154 176.1905 47 I 4.2960 8.3277 118.3097 61.2738 39.0203 175.4633 48 Y 5.0379 7.6739 124.0302 56.8228 42.3117 173.0089 49 T 4.8216 7.9579 116.4828 59.6078 72.4742 172.4174 50 F 4.9668 8.5912 126.9849 56.4003 42.1055 173.2551 51 D 3.9923 8.6257 128.0269 52.3028 41.9453 177.2685 52 G 3.1973 8.1031 116.3650 48.4359 0.0000 174.8851 53 A 3.9111 8.1764 121.9107 54.7452 18.3729 178.0893 54 L 4.3550 7.8760 111.8107 53.7252 42.2220 176.1448 55 N 4.0988 7.3706 116.4048 54.4995 37.8632 174.3689 56 K 4.5785 8.1106 119.2242 54.9024 35.3812 175.6303 57 S 5.2390 8.8348 123.1677 57.7989 65.2765 173.7665 58 T 4.7746 8.1641 117.6879 62.4721 73.0375 173.4339 59 V 4.9348 8.1937 117.1449 59.1374 36.0117 173.3536 60 P 4.6690 0.0000 0.0000 62.1985 32.5862 177.1017 61 T 3.9141 8.7630 117.0765 67.0245 68.4733 175.5077 62 D 4.4596 8.2695 119.1819 55.4969 40.3037 176.7536 63 F 4.7208 8.1976 119.9562 56.1803 38.1758 176.3567 64 S 4.3086 8.0169 118.8790 61.3029 63.4135 176.0009 65 S 4.3919 8.6227 112.2431 58.2545 63.2441 173.9863 66 A 4.2871 7.4641 123.5415 52.3578 18.5670 177.2146 67 K 3.9489 8.2534 120.5285 55.7664 36.3089 174.4700 68 I 4.5219 7.5132 113.9752 58.8195 41.0308 175.7936 69 E 4.1453 8.3469 123.3337 54.9596 29.3649 176.4692 70 V 3.2748 8.0634 127.2792 65.8213 31.4145 177.6142 71 S 4.1325 7.8946 113.5147 61.4330 62.9998 175.8021 72 Q 4.2528 8.0772 119.8819 56.9398 28.5103 177.9343 73 L 4.2493 7.6146 122.2914 57.2319 41.4246 179.2444 74 L 4.3580 7.6464 117.5979 57.0101 41.5822 178.5956 75 K 4.4091 7.8863 115.9308 55.9623 32.6044 177.3548 76 G 3.8514 8.5357 108.3423 46.3545 0.0000 172.5486 77 D 4.6990 8.0857 120.2144 52.9693 41.7062 175.9177 78 A 4.8611 8.7185 128.2131 51.6635 19.9952 176.3922 79 S 4.3728 8.0979 114.6504 60.4191 63.5989 173.8824 80 L 3.9691 7.9854 126.2024 53.6388 43.3979 175.2057 81 K 4.9800 8.5447 125.7956 54.8123 35.0469 175.0532 82 M 5.0664 8.1807 119.6807 53.9222 35.1441 174.2703 83 D 4.7216 9.4010 120.8696 53.6533 41.8768 177.8013 84 K 3.8644 8.4821 121.4874 60.4839 31.9636 179.6227 85 S 4.0842 7.9364 115.5796 61.7337 62.6538 176.2766 86 D 4.0863 7.9215 119.3670 57.2968 40.8432 177.8201 87 A 3.8752 7.9478 121.4751 55.1799 18.0267 179.6878 88 V 3.8310 8.4408 111.2401 64.5746 32.0144 178.5471 89 S 4.3742 7.3802 110.4767 59.5695 63.8455 173.8410 90 H 5.0196 8.5164 120.4968 55.1420 29.5038 173.5554 91 T 4.3802 7.8450 108.7750 62.1483 70.3720 173.4303 92 G 3.9827 8.7524 106.7424 44.5072 0.0000 172.5853 93 N 4.7348 8.8885 119.3230 53.1870 38.9842 173.7967 94 Y 5.1284 8.8087 121.1147 56.6961 40.5920 175.2145 95 T 4.4751 8.8594 120.0383 61.9416 71.1140 172.3634 96 C 3.8836 8.1411 126.7318 54.3508 46.2549 172.0597 97 E 4.6417 8.8769 127.8962 54.2874 31.7274 174.4404 98 V 4.9822 8.7225 126.4869 61.4523 34.1792 174.5627 99 T 4.7391 9.1704 123.9864 61.8047 72.0522 172.6525 100 E 5.0854 8.7037 125.1329 54.6781 30.7669 176.0705 101 L 4.3013 9.0730 125.7112 54.2729 42.6600 177.4978 102 T 3.9384 8.5117 117.5877 64.3894 68.9696 173.9242 103 R 4.7457 8.3279 122.9522 54.4051 33.3637 174.5257 104 E 4.7376 8.2502 117.5017 55.1934 32.8702 174.0053 105 G 4.1038 8.0917 106.4020 45.3199 0.0000 172.1704 106 E 4.7370 8.3065 116.2451 55.1930 32.4707 174.1614 107 T 4.6990 8.0647 112.7045 60.6551 70.6700 172.7739 108 I 4.6003 8.1800 125.1839 59.4075 39.9558 175.3178 109 I 4.5382 8.1435 124.6014 59.3078 40.2170 174.4388 110 E 4.2460 8.7475 125.9830 55.0530 30.3615 174.9431 111 L 4.4923 8.4280 128.2073 53.6367 43.0668 175.4630 112 K 4.6835 8.5320 125.0093 54.6517 34.9234 174.6024 113 Y 4.6453 8.5005 123.2253 55.6988 40.4394 174.6000 114 R 4.2632 7.3646 126.2628 54.0355 32.3106 175.0342 115 V 3.6676 8.0823 125.2605 62.1444 31.7374 175.7980 116 V 3.7292 8.2073 126.1812 63.1702 31.3892 175.4724 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 L 8.18 4.44 0.00 1.69 1.41 0.97 0.60 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 3 L 9.06 4.91 0.00 1.52 1.55 0.93 0.75 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 4 F 9.08 5.20 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.32 4.75 0.00 2.74 2.93 0.00 0.00 7.18 6.33 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 6 K 8.54 4.31 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.70 7.81 7 T 8.24 4.67 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 1.34 0.00 0.00 8 K 9.00 4.18 0.00 1.75 1.88 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.47 7.81 9 S 7.66 4.79 0.00 4.05 3.84 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 10 V 8.24 4.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 11 E 8.60 4.92 0.00 1.93 1.82 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 2.17 2.29 0.00 12 F 8.48 5.10 0.00 3.27 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 13 T 8.70 4.51 4.06 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 1.11 0.00 0.00 14 F 8.92 4.27 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 15 G 6.43 3.34 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 0.00 16 N 7.69 4.51 0.00 3.04 3.02 0.00 0.00 7.00 8.58 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 17 D 8.74 4.78 0.00 2.58 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 18 T 7.71 5.00 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 1.15 0.00 0.00 19 V 8.52 4.42 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 0.04 0.00 0.00 0.52 0.00 0.00 20 V 8.16 4.54 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 0.72 0.00 0.00 0.83 0.00 0.00 21 I 8.17 4.35 1.12 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.26 0.93 0.00 0.00 22 P 0.00 4.60 0.00 2.32 2.27 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 23 C 8.45 4.72 0.00 3.20 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 24 F 8.93 5.41 0.00 3.07 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 25 V 9.25 3.92 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 0.68 0.00 0.00 0.42 0.00 0.00 26 T 8.99 4.30 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 1.21 0.00 0.00 27 N 7.53 5.02 0.00 2.77 2.84 0.00 0.00 6.02 7.66 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 28 M 8.08 4.29 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.79 0.00 29 E 9.49 4.49 0.00 2.10 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 0.00 2.22 2.19 0.00 30 A 8.35 4.05 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 31 Q 8.63 4.55 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 32 N 7.59 4.98 0.00 2.69 2.62 0.00 0.00 6.90 7.22 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 33 T 8.65 4.32 4.42 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 1.27 0.00 0.00 34 T 8.34 4.05 4.36 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 1.23 0.00 0.00 35 E 8.39 4.65 0.00 2.10 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 2.26 2.25 0.00 36 V 7.83 5.01 2.34 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 1.14 0.00 0.00 1.02 0.00 0.00 37 Y 8.95 4.85 0.00 3.06 2.68 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 38 V 8.57 4.99 2.40 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 1.14 0.00 0.00 1.15 0.00 0.00 39 K 9.00 5.00 0.00 2.08 1.79 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.52 7.81 40 W 10.00 5.30 0.00 3.50 3.20 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 0.00 0.00 0.00 41 K 9.46 5.26 0.00 1.66 1.70 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 42 F 9.11 4.71 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.12 3.72 0.00 1.36 1.51 0.00 1.08 0.00 0.00 1.40 0.00 0.00 2.39 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.84 0.21 7.81 44 G 8.10 4.08 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 0.00 0.00 0.00 45 R 7.44 4.50 0.00 2.14 1.91 0.00 3.19 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 46 D 8.59 5.03 0.00 2.70 2.68 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 47 I 8.33 4.30 0.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.65 0.97 0.00 0.00 48 Y 7.67 5.04 0.00 2.99 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 49 T 7.96 4.82 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 1.24 0.00 0.00 50 F 8.59 4.97 0.00 3.14 2.95 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 51 D 8.63 3.99 0.00 2.38 2.25 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 52 G 8.10 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.18 3.91 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 54 L 7.88 4.35 0.00 1.56 1.65 0.93 1.05 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 55 N 7.37 4.10 0.00 2.80 2.84 0.00 0.00 6.77 6.40 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 56 K 8.11 4.58 0.00 1.89 1.49 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.33 7.81 57 S 8.83 5.24 0.00 3.91 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 58 T 8.16 4.77 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 1.19 0.00 0.00 59 V 8.19 4.93 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 1.00 0.00 0.00 1.01 0.00 0.00 60 P 0.00 4.67 0.00 2.51 2.26 0.00 3.94 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.11 0.00 61 T 8.76 3.91 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 1.24 0.00 0.00 62 D 8.27 4.46 0.00 2.82 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 63 F 8.20 4.72 0.00 3.09 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 64 S 8.02 4.31 0.00 3.87 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 65 S 8.62 4.39 0.00 4.00 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 66 A 7.46 4.29 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 67 K 8.25 3.95 0.00 1.63 1.75 0.00 1.13 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.14 7.81 68 I 7.51 4.52 1.75 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 1.21 0.57 0.77 0.00 0.00 69 E 8.35 4.15 0.00 1.96 1.83 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 2.28 2.28 0.00 70 V 8.06 3.27 1.82 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 0.51 0.00 0.00 0.21 0.00 0.00 71 S 7.89 4.13 0.00 4.06 4.07 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 72 Q 8.08 4.25 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 73 L 7.61 4.25 0.00 1.75 1.77 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.65 4.36 0.00 1.60 1.75 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.89 4.41 0.00 1.93 1.90 0.00 1.99 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.51 7.81 76 G 8.54 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 77 D 8.09 4.70 0.00 2.99 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 78 A 8.72 4.86 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 79 S 8.10 4.37 0.00 3.62 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.99 3.97 0.00 0.27 0.13 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.54 4.98 0.00 1.43 1.47 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.16 1.13 7.81 82 M 8.18 5.07 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 83 D 9.40 4.72 0.00 2.71 2.58 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 84 K 8.48 3.86 0.00 2.11 2.26 0.00 1.39 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.53 7.81 85 S 7.94 4.08 0.00 3.85 3.93 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 86 D 7.92 4.09 0.00 2.54 2.47 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 87 A 7.95 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.44 3.83 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 0.97 0.00 0.00 1.05 0.00 0.00 89 S 7.38 4.37 0.00 3.84 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 90 H 8.52 5.02 0.00 2.92 2.47 0.00 5.85 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 91 T 7.85 4.38 4.43 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 1.46 0.00 0.00 92 G 8.75 3.98 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 0.00 93 N 8.89 4.73 0.00 2.74 2.83 0.00 0.00 6.65 7.46 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 94 Y 8.81 5.13 0.00 3.14 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 95 T 8.86 4.48 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 1.07 0.00 0.00 96 C 8.14 3.88 0.00 1.23 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 0.00 0.00 0.00 0.00 97 E 8.88 4.64 0.00 1.90 1.84 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 2.21 2.18 0.00 98 V 8.72 4.98 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 0.94 0.00 0.00 1.05 0.00 0.00 99 T 9.17 4.74 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 1.19 0.00 0.00 100 E 8.70 5.09 0.00 1.85 1.90 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 2.26 2.33 0.00 101 L 9.07 4.30 0.00 1.51 1.60 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.51 3.94 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 1.20 0.00 0.00 103 R 8.33 4.75 0.00 1.75 1.79 0.00 3.17 0.00 0.00 3.74 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 104 E 8.25 4.74 0.00 2.00 1.87 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 2.16 2.29 0.00 105 G 8.09 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 0.00 0.00 0.00 0.00 106 E 8.31 4.74 0.00 2.03 1.87 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 2.17 2.29 0.00 107 T 8.06 4.70 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 0.00 108 I 8.18 4.60 1.87 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 1.42 0.80 0.91 0.00 0.00 109 I 8.14 4.54 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 1.30 0.48 0.92 0.00 0.00 110 E 8.75 4.25 0.00 1.93 1.85 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 2.27 2.30 0.00 111 L 8.43 4.49 0.00 1.64 1.58 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.53 4.68 0.00 1.75 1.68 0.00 1.78 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.39 7.81 113 Y 8.50 4.65 0.00 2.88 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 0.00 114 R 7.36 4.26 0.00 1.62 1.52 0.00 3.22 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 115 V 8.08 3.67 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 0.85 0.00 0.00 1.09 0.00 0.00 116 V 8.21 3.73 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 0.79 0.00 0.00 0.85 0.00 0.00