NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3926 8.3044 120.3160 54.2155 34.3951 175.5940 1 H 4.2633 7.4518 115.0797 55.6975 32.6441 172.8611 2 K 4.4273 8.7844 115.3054 56.8084 34.2253 175.4414 3 C 3.0357 7.9648 110.1823 60.1335 39.8472 175.2200 4 D 4.6821 8.8022 132.1764 53.8664 41.0374 177.1398 5 I 3.6177 8.1017 128.8389 64.6268 37.8921 178.0471 6 T 3.9011 7.9915 116.8088 67.4491 68.2392 175.5418 7 L 3.8219 8.3525 120.0605 57.9674 41.4596 179.2334 8 Q 3.5305 8.0335 118.2175 59.3963 29.2154 179.2298 9 E 3.8588 7.7941 119.1251 59.5421 29.7472 178.2189 10 I 3.5701 8.0646 119.9269 65.3685 37.1631 177.8192 11 I 3.3481 8.1173 119.0310 64.8203 36.8066 177.9355 12 K 3.7095 7.8874 118.4807 60.1119 31.6935 179.3610 13 T 3.4321 7.7150 115.3830 66.5273 68.2508 176.5531 14 L 3.8371 8.3185 120.8852 58.1633 41.7004 179.1166 15 N 4.1250 8.2814 116.7122 57.0138 38.4708 176.6247 16 S 4.0973 7.9727 113.9741 61.3528 62.2030 176.0917 17 L 3.9970 7.6530 121.9727 58.2013 41.6672 179.8194 18 T 4.0687 7.6847 108.1716 65.1860 69.1335 176.2918 19 E 4.2347 7.5905 121.7123 57.4754 30.2794 177.5561 20 Q 4.4581 7.8220 123.0330 53.8135 28.9687 175.5697 21 K 4.5134 8.2144 122.0908 55.9109 34.7477 176.7646 22 T 4.6160 8.1318 109.5737 61.1428 70.2387 173.9868 23 L 4.5261 8.6323 120.8233 55.5083 42.5985 177.4454 24 C 4.6745 8.2735 117.2923 58.4007 39.5225 175.3836 25 T 4.4069 7.9615 107.5258 62.3059 68.2095 174.9280 26 E 4.4667 7.9867 119.3266 56.7021 30.3541 177.3678 27 L 4.3231 8.0706 121.0130 55.5672 40.2548 176.4259 28 T 4.0154 6.5778 106.7663 59.3854 69.6113 174.8275 29 V 4.4092 8.7562 120.9150 59.0939 35.9698 174.7486 30 T 4.2845 8.0892 117.7054 63.3058 69.2671 175.5559 31 D 4.9034 8.5064 129.3610 52.3414 40.1665 176.9610 32 I 3.5631 7.3862 116.0269 64.0484 38.0203 178.5713 33 F 4.2117 6.9435 115.7015 60.3236 38.7455 175.2810 34 A 4.6520 8.2795 122.2103 51.9538 19.2546 177.4077 35 A 4.6547 7.8663 121.2981 55.5768 24.7657 178.8495 36 S 4.6292 8.3358 108.5956 58.5474 62.1275 175.8998 37 K 3.9707 7.7454 120.2896 59.1421 31.7911 177.3507 38 N 4.9418 8.0380 114.4748 53.0784 38.9469 174.6137 39 T 4.5877 7.5358 109.5222 60.8319 71.5290 172.8972 40 T 4.5861 8.1389 110.3579 60.3783 71.2458 175.0856 41 E 3.9426 9.1744 121.8910 60.5268 29.4538 180.3925 42 K 4.6950 7.8119 118.9252 60.1986 32.2711 178.4749 43 E 4.0146 8.2136 118.5644 59.4654 29.3413 179.1292 44 T 3.9042 7.7681 116.7116 66.1700 68.3924 176.3389 45 F 4.3896 8.3962 119.6051 60.4413 38.3296 177.0188 46 C 4.2574 8.2108 118.3182 59.7812 42.4769 175.9863 47 R 3.8853 8.2553 119.4271 59.3983 29.6295 178.1822 48 A 3.9904 8.2759 120.0143 55.8071 18.2414 179.0188 49 A 4.0522 8.7640 117.6485 56.1279 18.5576 179.5279 50 T 3.7973 7.7920 111.5233 67.3243 68.7005 176.1719 51 V 3.4243 8.2566 119.4724 66.4645 31.4898 177.7420 52 L 4.0369 8.3942 119.4239 58.5380 42.0990 178.7007 53 R 3.8318 8.4706 118.5584 60.0002 29.8269 177.7551 54 Q 3.8174 8.0709 117.0314 59.7314 28.8835 178.6909 55 F 3.8054 8.2516 120.1702 62.2797 39.0489 176.9855 56 Y 4.2374 8.6411 116.4807 60.4358 37.8343 178.1963 57 S 4.0411 6.5621 114.1026 61.0984 62.3776 175.2320 58 H 4.3176 8.3001 119.9854 58.9103 29.8908 176.1711 59 H 4.6991 8.0742 115.0626 56.2647 28.8626 176.5130 60 E 4.2006 7.5880 121.2531 58.6084 30.5443 178.2037 61 K 4.6515 7.8062 114.3663 55.4289 32.3403 175.8934 62 D 4.3518 8.0898 118.7030 55.8768 42.6966 177.3488 63 T 3.5932 6.6518 109.3394 63.8610 67.5472 172.2196 64 R 4.4203 7.8760 122.8690 58.9855 32.7455 177.1327 65 C 4.4039 7.9893 115.7621 58.5071 41.9256 173.7816 66 L 4.4956 7.7926 118.7959 55.4178 40.5752 176.6707 67 G 4.5317 7.7062 105.8765 44.4464 0.0000 171.8930 68 A 4.4758 8.0328 123.9987 54.2029 20.7224 177.3585 69 T 4.7041 7.1030 107.1036 61.3719 75.4811 172.7417 70 A 4.3344 7.7491 129.8318 51.9843 22.7675 177.9313 71 Q 4.0014 7.8347 116.2703 59.5422 29.1100 178.1017 72 Q 4.0105 8.2400 118.3581 59.3752 28.8560 178.4601 73 F 4.4862 8.3627 121.7594 61.5987 39.1229 176.5216 74 H 4.1868 8.6801 116.8935 59.3424 29.7809 177.3390 75 R 3.8408 8.2340 120.5405 59.6291 29.9808 177.7112 76 H 3.9651 8.5513 118.4599 59.1752 29.8503 176.6116 77 K 3.6018 7.5671 120.7034 59.7668 31.9228 178.2291 78 Q 3.5045 7.4769 117.9355 58.9900 28.6282 178.8073 79 L 3.7393 7.3727 119.3401 58.0724 41.6813 179.3914 80 I 3.5899 7.4206 119.0835 64.8494 37.1202 178.0666 81 R 3.8307 7.5752 117.9743 59.6655 29.9538 178.8623 82 F 4.3361 8.0972 116.8709 60.7679 38.8672 177.4728 83 L 3.9644 8.3646 118.7505 57.8928 41.4051 179.4769 84 K 3.1144 7.7020 118.8958 59.2801 31.6051 178.3359 85 R 3.8384 8.1590 119.6308 59.5166 29.8776 178.1494 86 L 3.9553 8.3736 119.4730 58.9541 40.5236 178.2465 87 D 4.4661 8.2760 120.3231 57.1009 40.8978 178.1781 88 R 3.8817 8.0217 117.4491 60.0323 30.2125 177.5392 89 N 4.4791 8.1068 114.2327 56.6861 38.7148 177.1790 90 L 3.7287 8.4089 122.0445 58.1869 42.2756 178.8028 91 W 4.3038 8.1366 128.2098 60.6488 30.4380 177.5059 92 G 3.9978 8.3136 103.9941 48.2811 0.0000 174.8722 93 L 3.9714 7.8018 120.3619 57.2556 41.8757 178.9361 94 A 3.9548 7.3499 120.2284 55.6035 18.0039 178.4952 95 G 3.8552 7.7977 103.6399 45.0621 0.0000 174.3180 96 L 4.6195 6.5519 120.9367 55.0890 39.2265 176.3347 97 N 5.2121 8.5006 110.3030 53.2113 41.7817 174.0725 98 S 4.6518 8.1669 111.1746 57.3056 65.7739 173.1164 99 C 4.9517 8.2595 119.9557 54.5086 44.1979 172.4281 100 P 4.5141 0.0000 0.0000 62.7965 31.4965 175.7751 101 V 4.3189 8.0873 117.9702 59.7793 33.0676 175.7378 102 K 4.4008 8.0880 123.7512 53.6405 32.8266 174.4551 103 E 3.6552 8.3375 118.7780 56.1574 30.8594 178.5284 104 A 4.5128 8.0008 123.8737 50.9201 19.3931 175.2939 105 N 4.6929 8.8172 117.5305 52.7782 38.7691 173.9488 106 Q 5.2606 8.1829 116.6810 54.3347 31.9525 175.3037 107 S 4.7996 9.0931 116.6909 56.8156 65.7609 173.3406 108 T 4.2308 9.4014 117.7118 61.5730 68.4417 177.8950 109 L 3.4467 8.2926 128.4352 57.3711 45.0781 177.3139 110 E 3.9334 8.2782 118.4666 59.6155 29.5161 178.4980 111 N 4.2853 8.6504 116.9426 56.6539 39.0999 176.1044 112 F 4.3540 8.0891 121.7017 61.8481 39.4401 177.0839 113 L 3.9418 8.6127 118.3004 58.0037 41.5182 179.3103 114 E 3.8639 8.4560 118.4361 59.7657 29.4890 179.9361 115 R 3.6549 7.9946 117.6023 59.0187 30.1159 178.4744 116 L 3.8532 7.5884 119.8969 58.5893 41.9512 178.6231 117 K 3.7439 8.4053 119.2828 59.9627 31.9803 178.2277 118 T 3.8390 7.9572 115.3767 67.4177 68.4044 175.7406 119 I 3.6050 7.8542 120.6274 64.9723 37.0668 177.8676 120 M 3.9546 8.3315 118.6558 58.9259 32.0382 179.0622 121 R 3.9611 8.2212 117.6344 59.6099 30.1185 178.5653 122 E 3.9023 8.2536 117.9961 59.4586 29.8353 179.1858 123 K 4.1215 8.1166 118.0540 60.0840 30.8391 178.7335 124 Y 4.1795 8.0775 120.2531 60.9274 38.8895 178.5853 125 S 4.5703 8.1416 113.9337 58.6085 63.4847 174.9776 126 K 4.4395 8.3358 120.5829 58.2836 33.9622 176.7442 127 C 4.3924 8.2141 116.5900 59.3104 43.9530 173.9493 128 S 4.0674 7.1450 113.8520 59.1166 62.0733 174.2780 129 S 4.2220 8.1474 122.5100 58.8561 62.9262 174.5972 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 0 M 8.30 4.39 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 1 H 7.45 4.26 0.00 3.01 3.15 0.00 5.96 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.78 4.43 0.00 1.72 1.68 0.00 2.04 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.52 7.81 3 C 7.96 3.04 0.00 3.02 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 4 D 8.80 4.68 0.00 2.68 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 5 I 8.10 3.62 1.88 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 1.43 1.08 0.92 0.00 0.00 6 T 7.99 3.90 4.28 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 1.29 0.00 0.00 7 L 8.35 3.82 0.00 1.85 1.76 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.03 3.53 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 9 E 7.79 3.86 0.00 2.09 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 0.00 2.26 2.33 0.00 10 I 8.06 3.57 2.02 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 1.49 0.40 0.86 0.00 0.00 11 I 8.12 3.35 1.84 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.65 0.00 0.00 12 K 7.89 3.71 0.00 1.77 1.74 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.47 7.81 13 T 7.71 3.43 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 1.13 0.00 0.00 14 L 8.32 3.84 0.00 1.77 1.68 0.90 0.70 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 15 N 8.28 4.12 0.00 2.84 2.83 0.00 0.00 6.61 7.05 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 16 S 7.97 4.10 0.00 3.76 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 17 L 7.65 4.00 0.00 1.73 1.80 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.68 4.07 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 1.30 0.00 0.00 19 E 7.59 4.23 0.00 2.27 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 0.00 2.34 2.46 0.00 20 Q 7.82 4.46 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 21 K 8.21 4.51 0.00 1.89 1.84 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.44 7.81 22 T 8.13 4.62 4.27 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 1.22 0.00 0.00 23 L 8.63 4.53 0.00 1.64 1.75 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.27 4.67 0.00 3.09 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 25 T 7.96 4.41 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 1.24 0.00 0.00 26 E 7.99 4.47 0.00 1.97 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 2.27 2.32 0.00 27 L 8.07 4.32 0.00 1.57 1.43 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 T 6.58 4.02 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 1.27 0.00 0.00 29 V 8.76 4.41 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 0.72 0.00 0.00 0.84 0.00 0.00 30 T 8.09 4.28 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 1.20 0.00 0.00 31 D 8.51 4.90 0.00 2.73 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 32 I 7.39 3.56 1.70 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.09 0.80 0.00 0.00 33 F 6.94 4.21 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 34 A 8.28 4.65 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 4.65 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 36 S 8.34 4.63 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 37 K 7.75 3.97 0.00 1.78 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.60 7.81 38 N 8.04 4.94 0.00 2.70 2.82 0.00 0.00 6.66 7.54 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 39 T 7.54 4.59 4.57 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 1.22 0.00 0.00 40 T 8.14 4.59 4.27 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 1.22 0.00 0.00 41 E 9.17 3.94 0.00 2.22 2.48 0.00 0.00 0.00 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 2.59 0.00 42 K 7.81 4.69 0.00 1.78 1.96 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.40 7.81 43 E 8.21 4.01 0.00 2.17 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 2.32 2.35 0.00 44 T 7.77 3.90 3.96 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 1.01 0.00 0.00 45 F 8.40 4.39 0.00 3.27 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 46 C 8.21 4.26 0.00 3.16 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 47 R 8.26 3.89 0.00 1.85 1.91 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 48 A 8.28 3.99 1.55 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 0.00 0.00 49 A 8.76 4.05 1.54 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 50 T 7.79 3.80 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 1.27 0.00 0.00 51 V 8.26 3.42 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 0.80 0.00 0.00 0.88 0.00 0.00 52 L 8.39 4.04 0.00 1.97 2.15 1.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.47 3.83 0.00 2.19 2.10 0.00 3.19 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 54 Q 8.07 3.82 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.35 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 55 F 8.25 3.81 0.00 3.14 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 56 Y 8.64 4.24 0.00 3.24 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 57 S 6.56 4.04 0.00 3.21 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 58 H 8.30 4.32 0.00 3.09 3.14 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.07 4.70 0.00 3.61 3.47 0.00 5.75 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 60 E 7.59 4.20 0.00 1.97 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 2.52 2.78 0.00 61 K 7.81 4.65 0.00 1.70 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.39 7.81 62 D 8.09 4.35 0.00 2.81 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 63 T 6.65 3.59 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 1.24 0.00 0.00 64 R 7.88 4.42 0.00 1.99 1.95 0.00 3.16 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 65 C 7.99 4.40 0.00 2.89 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 66 L 7.79 4.50 0.00 1.60 1.51 0.71 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.71 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.48 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 69 T 7.10 4.70 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 1.27 0.00 0.00 70 A 7.75 4.33 1.25 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 0.00 0.00 71 Q 7.83 4.00 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 72 Q 8.24 4.01 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 73 F 8.36 4.49 0.00 3.13 3.29 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 74 H 8.68 4.19 0.00 3.56 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.23 3.84 0.00 1.92 2.05 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 76 H 8.55 3.97 0.00 3.11 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.57 3.60 0.00 1.61 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.37 7.81 78 Q 7.48 3.50 0.00 1.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.47 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 79 L 7.37 3.74 0.00 1.77 1.58 0.94 0.91 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 80 I 7.42 3.59 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.97 0.00 0.00 81 R 7.58 3.83 0.00 1.85 2.09 0.00 3.09 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 82 F 8.10 4.34 0.00 3.13 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 83 L 8.36 3.96 0.00 1.81 1.82 0.61 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.70 3.11 0.00 0.79 1.48 0.00 1.60 0.00 0.00 1.34 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.17 0.91 7.81 85 R 8.16 3.84 0.00 1.98 2.14 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 86 L 8.37 3.96 0.00 1.92 2.07 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.28 4.47 0.00 3.04 3.06 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 0.00 88 R 8.02 3.88 0.00 1.82 2.11 0.00 3.31 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 89 N 8.11 4.48 0.00 2.97 2.85 0.00 0.00 7.10 6.59 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 90 L 8.41 3.73 0.00 1.87 1.98 1.18 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 W 8.14 4.30 0.00 3.47 3.29 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 92 G 8.31 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 93 L 7.80 3.97 0.00 1.15 1.35 0.86 0.58 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 94 A 7.35 3.95 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 95 G 7.80 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 96 L 6.55 4.62 0.00 1.64 1.06 0.86 0.68 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 97 N 8.50 5.21 0.00 3.06 3.18 0.00 0.00 5.70 7.68 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 98 S 8.17 4.65 0.00 3.89 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.26 4.95 0.00 2.98 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 0.00 100 P 0.00 4.51 0.00 2.16 2.06 0.00 3.71 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 1.98 1.96 0.00 101 V 8.09 4.32 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 0.87 0.00 0.00 102 K 8.09 4.40 0.00 1.69 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 103 E 8.34 3.66 0.00 2.02 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 0.00 2.26 2.37 0.00 104 A 8.00 4.51 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 0.00 105 N 8.82 4.69 0.00 3.03 3.04 0.00 0.00 6.90 7.17 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 0.00 106 Q 8.18 5.26 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.54 0.00 107 S 9.09 4.80 0.00 4.18 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.40 4.23 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 1.25 0.00 0.00 109 L 8.29 3.45 0.00 2.13 2.06 0.83 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.28 3.93 0.00 2.14 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 2.36 2.40 0.00 111 N 8.65 4.29 0.00 2.86 2.93 0.00 0.00 6.95 8.03 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 0.00 112 F 8.09 4.35 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 0.00 113 L 8.61 3.94 0.00 1.96 1.74 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.46 3.86 0.00 2.17 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 2.50 2.56 0.00 115 R 7.99 3.65 0.00 1.46 1.20 0.00 2.80 0.00 0.00 2.54 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 116 L 7.59 3.85 0.00 1.68 1.71 0.94 0.33 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 0.00 117 K 8.41 3.74 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 118 T 7.96 3.84 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 119 I 7.85 3.60 2.14 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 1.06 0.00 0.00 120 M 8.33 3.95 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.00 0.00 121 R 8.22 3.96 0.00 2.11 2.01 0.00 3.13 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 122 E 8.25 3.90 0.00 2.06 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 2.34 2.46 0.00 123 K 8.12 4.12 0.00 1.99 1.87 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.48 7.81 124 Y 8.08 4.18 0.00 3.09 3.10 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 0.00 125 S 8.14 4.57 0.00 3.97 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 0.00 126 K 8.34 4.44 0.00 1.72 1.88 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.33 7.81 127 C 8.21 4.39 0.00 2.96 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 0.00 128 S 7.15 4.07 0.00 3.80 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 0.00 129 S 8.15 4.22 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00