NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8482 8.0549 120.3021 59.7535 33.4488 172.2379 2 D 3.9461 8.2153 126.0998 51.6944 39.9449 168.3418 3 V 3.3924 9.2401 125.8448 61.2999 32.3082 173.9587 4 P 4.1338 0.0000 0.0000 62.0560 32.0681 175.3936 5 A 4.4417 8.1216 122.2617 50.9730 19.9276 179.1124 6 D 4.5888 8.3152 118.8371 54.4011 39.2580 176.9702 7 G 3.8206 8.7066 108.1740 47.0672 0.0000 173.0093 8 A 4.5695 7.7816 121.0331 50.7102 20.2735 177.5335 9 K 5.0511 8.6876 120.6409 54.5981 35.4874 175.5457 10 I 4.0389 8.6847 124.9673 59.7279 39.9665 174.7906 11 D 4.5415 7.3068 123.3574 53.8797 41.7118 173.9481 12 F 5.0001 8.5815 121.6443 57.0840 41.5520 175.7356 13 I 4.2378 7.8226 120.5266 59.4453 36.2117 175.0865 14 A 4.3554 8.3079 128.7921 51.5749 19.2949 175.5916 15 G 4.1791 8.1101 107.2391 43.8905 0.0000 172.6971 16 G 3.9869 8.3672 106.7584 48.6223 0.0000 175.0202 17 E 4.6952 7.7501 118.3673 55.1366 30.8599 174.7548 18 K 4.5909 7.6433 116.6371 56.6012 35.7035 174.4517 19 N 4.2028 8.1635 113.5816 53.3126 38.8052 174.3556 20 L 4.2200 8.6622 124.1269 54.0664 40.7684 176.0145 21 T 4.9314 8.1715 120.8595 61.9251 69.0997 174.5306 22 V 4.2436 8.2883 127.0978 61.5139 33.5814 174.5981 23 V 4.8725 8.3217 126.8431 61.6442 33.3345 174.5023 24 F 5.1810 9.6089 128.4103 56.6325 42.6777 172.9407 25 N 5.0004 7.1748 120.1671 52.1278 42.0859 174.8447 26 H 4.3003 8.5359 120.8836 57.8369 29.4032 176.8958 27 S 4.5794 9.5336 114.4645 59.3475 62.7913 174.6838 28 T 4.2075 7.2910 116.4967 65.1229 69.1269 175.3974 29 H 4.8737 7.3865 114.0684 55.2900 28.8894 177.0665 30 K 3.7423 8.1238 121.3656 59.4753 32.1924 176.9796 31 D 4.6458 8.0121 117.0819 53.1934 39.9125 175.8309 32 V 4.3817 8.5579 121.2794 60.6723 33.4992 175.4674 33 K 4.1198 8.6281 126.0665 57.0125 32.9269 177.6900 34 C 4.3685 8.8209 118.5757 63.0875 28.1869 175.8708 35 D 5.0864 8.0681 117.1665 54.6772 39.1356 177.3773 36 D 4.2487 7.6614 119.5948 56.6852 41.5756 176.0534 37 C 4.6505 7.6096 113.2518 61.9321 30.8220 175.2574 38 H 4.6511 8.5241 120.3421 55.5661 26.3916 175.3352 39 H 5.1648 8.1701 124.4923 55.4355 29.4212 176.0351 40 Q 4.5501 7.5257 118.0596 54.0170 31.5029 174.0615 41 P 4.1912 0.0000 0.0000 62.5624 31.6411 176.1969 42 G 4.0988 8.2775 108.8195 46.4747 0.0000 172.1367 43 D 4.9226 8.8153 121.5115 54.2796 40.2288 175.7032 44 K 4.5661 7.0745 116.6035 55.8558 33.0243 176.7626 45 Q 4.1295 7.8516 120.2616 57.7657 28.8138 175.6756 46 Y 4.4021 7.4418 115.4847 55.8571 37.2273 174.0790 47 A 4.8242 7.9283 126.0000 49.1401 22.7715 176.1255 48 G 3.7238 8.2552 107.5266 45.5261 0.0000 174.0185 49 C 4.2249 8.2642 119.9778 62.0375 28.8195 175.0852 50 T 4.9700 6.9260 107.9473 60.9754 68.3236 174.7453 51 T 4.0269 7.3455 118.5655 63.5192 69.1138 173.4874 52 D 4.2100 8.4695 123.1234 55.6247 41.6204 176.1310 53 G 4.1430 8.7850 110.4074 46.4870 0.0000 173.1679 54 C 4.6697 7.4423 118.6210 59.7123 29.0938 175.6358 55 H 5.3935 8.7308 118.2502 56.3812 28.6235 175.6621 56 N 5.0595 7.6328 117.4574 51.5842 37.0471 174.2960 57 I 4.5209 7.3403 119.3509 59.8376 40.3851 175.4040 58 L 4.7968 8.1899 128.1136 52.0331 40.2003 174.5016 59 D 4.3992 7.6750 116.0629 53.4599 44.4383 175.6860 60 K 3.6987 8.3631 129.1097 55.5979 32.6289 176.8753 61 A 4.5881 6.1269 116.9219 52.6704 21.8392 174.4195 62 D 4.9936 7.8048 121.1274 51.8982 44.7553 175.7590 63 K 4.4551 7.8264 120.6795 53.2411 31.8457 174.4511 64 S 4.5812 7.5475 116.1782 57.3709 65.0342 177.0166 65 V 4.0740 8.5507 122.6673 62.5492 31.6753 176.1234 66 N 4.8979 7.9804 117.8277 53.2033 38.4791 174.3790 67 S 4.7480 7.8207 114.6059 58.0710 63.7792 174.2682 68 W 5.2933 8.3580 133.9053 57.4553 30.1281 175.6122 69 Y 4.3978 7.9141 115.5616 56.7155 39.7866 176.3071 70 K 4.1145 7.8852 119.3425 58.7092 33.6881 177.8266 71 V 4.0176 7.1093 108.6689 62.1719 31.0442 176.6711 72 V 3.7339 7.3570 119.3337 64.2984 32.3956 177.0598 73 H 4.4731 6.8177 114.4489 55.4953 28.8107 175.2391 74 D 4.4898 7.5558 121.2451 53.2965 39.6401 177.3006 75 A 3.9742 8.3067 128.3561 54.2580 18.9299 178.0791 76 K 4.2360 7.7848 115.9812 55.8810 33.5964 179.0956 77 G 3.8877 8.2239 114.7845 45.9227 0.0000 172.0596 78 G 3.9047 8.9143 107.7019 43.5652 0.0000 172.7870 79 A 3.9705 8.1957 122.8224 55.0150 18.2469 177.7438 80 K 4.4890 7.3409 112.4199 55.1267 35.4478 173.8135 81 P 4.6186 0.0000 0.0000 62.3316 33.0359 173.8158 82 T 4.6171 8.3389 107.3025 60.2865 70.8975 173.8428 83 C 4.2695 7.5737 115.0930 61.2786 28.2733 174.3530 84 I 4.2392 7.1897 121.1003 62.8857 38.3577 177.2718 85 S 4.3781 7.6683 114.4525 62.0624 62.9590 176.1577 86 C 4.2139 7.9055 120.7650 63.0243 31.3863 175.1251 87 H 4.0498 8.4228 117.1415 59.1448 28.0241 177.5486 88 K 3.9295 8.6553 120.2219 59.5892 32.2406 178.3722 89 D 4.4769 8.1718 118.2603 57.3746 40.8289 178.5431 90 K 3.9901 7.9245 117.2476 59.0015 32.1615 178.0764 91 A 4.6786 7.8573 118.9069 51.5967 20.5844 178.6380 92 G 3.8967 7.7879 110.5245 44.0067 0.0000 174.7660 93 D 5.4813 7.3440 130.9556 54.9856 37.2505 177.5454 94 D 4.5362 7.5290 121.9995 52.7322 41.8995 177.1612 95 K 4.0538 8.7105 126.5805 59.4813 31.9816 178.9736 96 E 4.0032 8.8494 119.0301 58.7929 29.6781 178.1474 97 L 4.1845 7.8253 119.2604 56.7652 41.8483 177.2189 98 K 4.5966 7.5141 119.1172 56.3857 32.1499 176.8361 99 K 4.7755 7.4508 115.3722 54.2338 33.3334 175.8145 100 K 4.4989 7.8975 121.4495 57.7962 38.7164 177.2907 101 L 4.2638 8.0812 118.4126 55.7327 42.1252 177.3038 102 T 4.4623 7.7329 104.7003 60.5137 69.7228 173.7897 103 G 3.6886 8.2086 111.7322 46.3323 0.0000 173.2038 104 C 4.2735 8.9691 123.8619 61.8521 28.4087 174.3026 105 K 4.4827 7.6741 118.5148 55.4609 34.3970 175.3772 106 G 3.7002 8.9179 113.9315 47.1196 0.0000 172.2157 107 S 4.7344 7.8249 112.7151 55.6478 65.9185 174.5486 108 A 4.2927 8.6750 122.4629 53.8762 18.2896 178.0180 109 C 4.4597 7.6675 111.7002 61.0182 29.5899 174.3290 110 H 4.8680 7.9208 119.4706 53.4398 28.3456 171.3013 111 P 5.0006 0.0000 0.0000 59.3115 30.3029 176.9252 112 S 4.2884 7.6143 118.4747 59.8417 62.2992 175.6005 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 V 8.05 3.85 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 0.61 0.00 0.00 0.78 0.00 0.00 2 D 8.22 3.95 0.00 2.85 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 3 V 9.24 3.39 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 0.66 0.00 0.00 0.90 0.00 0.00 4 P 0.00 4.13 0.00 1.98 2.05 0.00 3.40 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 5 A 8.12 4.44 1.22 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 0.00 0.00 6 D 8.32 4.59 0.00 2.77 2.82 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 0.00 0.00 0.00 7 G 8.71 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.78 4.57 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 9 K 8.69 5.05 0.00 1.62 1.69 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.45 7.81 10 I 8.68 4.04 1.80 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 1.11 1.25 0.57 0.00 0.00 11 D 7.31 4.54 0.00 2.55 2.44 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 12 F 8.58 5.00 0.00 3.16 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 13 I 7.82 4.24 2.05 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.99 1.00 0.00 0.00 14 A 8.31 4.36 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 15 G 8.11 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 0.00 0.00 0.00 16 G 8.37 3.99 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 0.00 0.00 0.00 17 E 7.75 4.70 0.00 1.86 1.86 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 2.19 2.39 0.00 18 K 7.64 4.59 0.00 1.72 1.69 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.41 7.81 19 N 8.16 4.20 0.00 2.98 2.80 0.00 0.00 5.93 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.66 4.22 0.00 1.71 1.78 0.84 0.94 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 21 T 8.17 4.93 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 1.23 0.00 0.00 22 V 8.29 4.24 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 0.90 0.00 0.00 0.93 0.00 0.00 23 V 8.32 4.87 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 0.96 0.00 0.00 0.95 0.00 0.00 24 F 9.61 5.18 0.00 3.03 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 25 N 7.17 5.00 0.00 2.63 2.33 0.00 0.00 6.89 7.82 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 26 H 8.54 4.30 0.00 3.25 3.33 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.53 4.58 0.00 3.64 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 28 T 7.29 4.21 4.16 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 1.02 0.00 0.00 29 H 7.39 4.87 0.00 3.28 3.36 0.00 5.83 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.12 3.74 0.00 1.87 1.96 0.00 1.55 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.44 7.81 31 D 8.01 4.65 0.00 2.79 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 32 V 8.56 4.38 2.31 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 0.91 0.00 0.00 1.01 0.00 0.00 33 K 8.63 4.12 0.00 1.90 1.96 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.52 7.81 34 C 8.82 4.37 0.00 3.18 3.35 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 35 D 8.07 5.09 0.00 2.84 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 36 D 7.66 4.25 0.00 2.69 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 37 C 7.61 4.65 0.00 2.93 2.82 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 0.00 0.00 0.00 38 H 8.52 4.65 0.00 3.25 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.17 5.16 0.00 3.24 3.38 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.53 4.55 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.20 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 41 P 0.00 4.19 0.00 2.17 2.16 0.00 3.64 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 2.02 1.93 0.00 42 G 8.28 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 43 D 8.82 4.92 0.00 2.82 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 44 K 7.07 4.57 0.00 1.80 1.68 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 45 Q 7.85 4.13 0.00 1.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.60 0.00 0.00 0.00 0.00 0.00 1.83 2.20 0.00 46 Y 7.44 4.40 0.00 2.96 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 47 A 7.93 4.82 1.22 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 0.00 0.00 48 G 8.26 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 0.00 0.00 0.00 49 C 8.26 4.22 0.00 2.24 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 50 T 6.93 4.97 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 0.17 0.00 0.00 51 T 7.35 4.03 4.16 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 1.14 0.00 0.00 52 D 8.47 4.21 0.00 2.57 2.54 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 53 G 8.79 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.44 4.67 0.00 3.03 2.32 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 55 H 8.73 5.39 0.00 3.53 3.50 0.00 5.61 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.63 5.06 0.00 2.81 2.73 0.00 0.00 7.15 7.90 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 57 I 7.34 4.52 2.06 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 1.46 1.13 1.03 0.00 0.00 58 L 8.19 4.80 0.00 1.67 1.70 0.96 1.17 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 59 D 7.68 4.40 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.70 0.00 1.41 0.83 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.40 7.81 61 A 6.13 4.59 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.80 4.99 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 63 K 7.83 4.46 0.00 1.70 1.66 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.40 7.81 64 S 7.55 4.58 0.00 4.02 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 65 V 8.55 4.07 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 0.77 0.00 0.00 0.99 0.00 0.00 66 N 7.98 4.90 0.00 2.89 3.09 0.00 0.00 6.97 7.56 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 67 S 7.82 4.75 0.00 4.17 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 68 W 8.36 5.29 0.00 3.72 3.35 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 69 Y 7.91 4.40 0.00 2.97 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 70 K 7.89 4.11 0.00 1.90 1.78 0.00 1.79 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.46 7.81 71 V 7.11 4.02 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 1.00 0.00 0.00 0.92 0.00 0.00 72 V 7.36 3.73 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 0.52 0.00 0.00 -0.18 0.00 0.00 73 H 6.82 4.47 0.00 2.53 3.05 0.00 5.90 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.56 4.49 0.00 2.61 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 75 A 8.31 3.97 1.26 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 0.00 0.00 76 K 7.78 4.24 0.00 1.72 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 77 G 8.22 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 0.00 0.00 0.00 78 G 8.91 3.90 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 0.00 0.00 0.00 79 A 8.20 3.97 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 80 K 7.34 4.49 0.00 1.77 1.72 0.00 1.54 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.30 7.81 81 P 0.00 4.62 0.00 2.19 2.12 0.00 3.69 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 1.98 1.95 0.00 82 T 8.34 4.62 4.20 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 1.18 0.00 0.00 83 C 7.57 4.27 0.00 2.71 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 84 I 7.19 4.24 1.77 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 1.59 1.23 0.87 0.00 0.00 85 S 7.67 4.38 0.00 3.87 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 86 C 7.91 4.21 0.00 2.97 2.98 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 87 H 8.42 4.05 0.00 3.31 3.36 0.00 5.70 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 88 K 8.66 3.93 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.53 7.81 89 D 8.17 4.48 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.99 0.00 1.88 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 91 A 7.86 4.68 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 92 G 7.79 3.90 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 0.00 0.00 0.00 93 D 7.34 5.48 0.00 2.90 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 94 D 7.53 4.54 0.00 2.71 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 95 K 8.71 4.05 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.49 7.81 96 E 8.85 4.00 0.00 1.88 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 2.32 2.35 0.00 97 L 7.83 4.18 0.00 2.01 1.76 0.89 0.23 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 98 K 7.51 4.60 0.00 1.77 1.88 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.40 7.81 99 K 7.45 4.78 0.00 1.67 1.71 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.36 7.81 100 K 7.90 4.50 0.00 1.86 1.97 0.00 1.48 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 101 L 8.08 4.26 0.00 1.63 1.67 0.76 0.71 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 0.00 102 T 7.73 4.46 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 1.23 0.00 0.00 103 G 8.21 3.69 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 0.00 0.00 0.00 104 C 8.97 4.27 0.00 2.98 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 0.00 105 K 7.67 4.48 0.00 1.66 1.65 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.39 7.81 106 G 8.92 3.70 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 0.00 0.00 0.00 107 S 7.82 4.73 0.00 4.18 3.99 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 0.00 108 A 8.68 4.29 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 0.00 109 C 7.67 4.46 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 7.92 4.87 0.00 3.18 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 5.00 0.00 2.18 2.09 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 112 S 7.61 4.29 0.00 3.81 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