NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3126 8.3001 120.3523 55.2562 32.8575 175.2103 2 A 4.1678 8.4436 129.5691 51.2429 19.6498 174.7205 3 Y 4.6346 8.9832 120.7551 56.4316 41.2211 171.7923 4 N 5.0636 8.2156 125.4401 50.9208 42.7576 175.7951 5 K 3.8855 8.1686 119.9243 59.6941 32.5272 178.8549 6 E 3.7991 7.9117 120.4896 59.4890 29.7447 178.5493 7 E 3.9595 7.8956 117.7808 58.6316 29.4688 179.0654 8 K 4.1250 7.5308 121.4451 59.2217 32.2222 178.9652 9 I 3.7417 7.6290 119.8551 63.8906 36.7479 178.3844 10 K 3.8931 7.9564 119.8891 59.7459 32.2240 178.8066 11 S 4.2874 8.0768 115.3534 61.3268 62.7586 176.1177 12 L 4.0463 8.0846 123.1838 58.6230 41.8390 179.0079 13 N 4.4136 8.5049 115.7373 55.5841 38.3591 177.6522 14 R 3.9504 7.6103 118.8720 59.5912 30.2024 178.6413 15 M 4.4288 7.8908 118.6984 58.1776 32.2282 177.8902 16 Q 3.9745 8.2410 118.3365 59.1715 28.7331 178.4502 17 Y 4.1898 8.1036 120.4216 60.8263 38.6688 177.6396 18 E 3.8214 8.2888 119.5233 59.3079 29.4674 179.7448 19 V 3.9751 7.5096 118.9965 65.6456 31.8673 178.1583 20 T 3.7971 7.8017 115.4514 66.5709 68.0236 176.4207 21 Q 3.7359 7.8156 120.4606 58.5079 29.3178 176.1455 22 N 4.7046 7.3899 114.0202 52.5638 39.6895 173.8694 23 N 4.5079 8.3353 113.1520 54.8469 36.7648 174.6071 24 G 3.7394 8.0777 107.4168 45.9679 0.0000 173.3824 25 T 4.8482 8.4865 119.5006 60.6208 68.4342 174.1759 26 E 4.1676 8.9285 126.3739 55.8287 30.1137 175.0042 27 P 4.3465 0.0000 0.0000 61.3352 32.0621 173.6340 28 P 4.2233 0.0000 0.0000 63.4536 30.6769 175.4652 29 F 5.1247 8.4761 119.2101 58.9980 44.7486 174.4801 30 Q 4.3850 8.1093 121.5242 56.2522 27.6444 175.5916 31 N 5.1708 8.3795 122.7284 52.5759 42.6291 174.4384 32 E 4.0318 9.1003 117.3338 60.2121 29.8140 178.3351 33 Y 4.0288 8.1178 118.8901 60.2473 39.1842 176.4517 34 W 4.4815 8.4604 119.7506 58.3825 29.7240 177.0465 35 D 5.5283 7.8287 116.7245 52.3561 39.3661 175.6712 36 H 3.9449 7.4732 118.9441 57.8474 30.1026 175.1352 37 K 4.5068 8.4166 124.3101 56.9361 31.9485 176.9137 38 E 4.0976 7.4370 118.9484 55.4210 30.2477 176.6659 39 E 4.0971 8.8557 119.5857 55.9956 30.8412 176.7308 40 G 3.6285 7.1319 109.2058 46.0496 0.0000 171.4185 41 L 5.0498 7.8313 124.4248 53.0164 46.8991 174.7949 42 Y 4.7866 8.4478 116.9190 56.4591 40.7986 175.5382 43 V 4.8078 8.1440 117.0237 58.0011 36.3738 174.9020 44 D 4.7488 8.6606 122.8167 54.1124 41.4042 176.8781 45 I 3.7212 8.7723 128.8713 64.4440 37.4163 179.0463 46 V 3.7075 8.0516 112.7517 63.7055 31.5197 177.0108 47 S 4.4664 7.4120 110.2980 56.9150 64.8542 174.1692 48 G 3.8430 8.4376 108.4198 46.4919 0.0000 173.2147 49 K 4.5255 7.8724 118.5184 53.5182 33.6860 174.6838 50 P 4.5713 0.0000 0.0000 63.1401 32.0273 175.3418 51 L 4.9410 8.6639 123.2038 56.1516 43.9939 176.4586 52 F 5.4443 7.8436 111.4941 55.9485 41.1222 173.3870 53 T 4.7876 8.6482 110.1998 61.2066 69.6621 174.8566 54 S 4.5773 9.0523 118.2980 61.1166 62.4792 175.3986 55 K 4.2077 8.8058 120.2536 58.8914 32.3124 176.3104 56 D 4.7676 7.6964 116.9971 53.2322 41.5756 175.8532 57 K 4.3273 7.9681 119.1877 55.9964 33.4087 175.0829 58 F 5.1534 8.5001 126.5075 56.3613 41.2068 175.2230 59 D 4.4428 7.6788 126.8606 53.9646 41.7629 177.4875 60 S 4.5023 8.0756 117.3871 58.4814 60.6428 174.1780 61 Q 4.2682 7.3816 119.9745 57.0584 29.8728 176.6972 62 C 4.6459 8.2453 114.3563 59.5448 28.6988 174.7412 63 G 4.1128 8.5442 114.5984 44.6773 0.0000 174.0880 64 W 5.2976 7.3567 119.2480 52.9712 32.6886 173.3642 65 P 4.6490 0.0000 0.0000 63.3518 31.8443 175.2554 66 S 5.1483 9.4973 119.8134 56.5866 64.7045 172.7322 67 F 4.7836 8.9261 127.9385 56.6203 42.6379 175.3117 68 T 4.0831 7.0691 113.4796 62.4347 68.3916 173.5626 69 K 4.4465 8.4791 121.6688 54.2053 33.2816 173.5509 70 P 3.6547 0.0000 0.0000 61.7280 32.1185 175.4568 71 I 4.2815 7.9355 119.5364 59.6593 37.4912 177.2310 72 E 4.0852 8.7192 125.7589 58.6989 29.7728 178.3811 73 E 4.0258 7.8980 118.6455 58.7995 29.6669 177.0275 74 E 4.5523 8.1327 114.4304 55.4229 30.5810 174.7179 75 V 4.3172 7.7793 117.2894 61.5438 32.9456 174.1860 76 E 4.7897 8.6663 126.9942 54.4334 31.8176 174.7533 77 E 4.5406 8.7872 123.5837 55.5855 31.2854 176.1692 78 K 4.4084 8.8297 125.3775 54.6852 35.2899 174.9532 79 L 4.7600 8.5937 130.3898 55.3841 43.1057 175.1802 80 D 4.8390 9.0607 123.6490 52.5984 43.7845 173.9607 81 T 4.9217 8.0072 111.6411 59.7572 69.7863 173.2085 82 S 4.2482 8.7777 125.6201 61.0161 63.5748 175.6044 83 H 4.6811 7.7927 122.1064 55.1820 30.2706 173.6233 84 G 4.1671 8.7284 113.5482 45.0686 0.0000 171.3544 85 M 4.6475 7.7508 119.1281 53.2321 33.9883 175.6280 86 I 4.3314 8.0682 115.8876 60.7327 39.1641 174.8187 87 R 4.8300 8.6923 119.6096 55.1851 35.2379 173.9816 88 T 5.0123 7.9459 115.4830 61.9155 72.3120 173.2659 89 E 4.8674 8.9218 123.8584 54.5479 33.7296 175.3146 90 V 4.8255 8.1198 116.3755 60.5047 33.1403 175.6840 91 R 4.5613 8.4540 121.1089 55.3455 32.3619 175.3215 92 S 4.8252 9.0116 118.5123 57.0429 63.6170 173.9921 93 R 4.1131 8.4561 118.5876 59.1800 29.3070 177.8446 94 T 4.1237 7.4993 114.2231 64.2467 69.5762 174.7993 95 A 4.5496 7.7186 120.6956 54.1739 21.4223 177.8132 96 D 4.6684 8.0018 111.7123 55.3562 40.3470 178.1488 97 S 4.2941 7.7606 115.7172 60.6862 62.6601 174.9016 98 H 4.8094 7.5640 115.9183 55.8910 28.2846 176.0618 99 L 3.6996 7.2837 118.6705 55.8893 42.5909 180.4752 100 G 3.7703 6.5883 106.0939 46.3196 0.0000 170.2367 101 H 5.1265 7.6753 115.6721 53.9866 32.7415 173.5977 102 V 5.4110 8.3524 114.0496 58.5518 35.7560 174.6127 103 F 5.0506 8.7150 122.0001 55.6510 42.2971 175.7055 104 N 5.3013 8.9992 117.5199 53.7242 38.4779 175.3967 105 D 4.5328 8.1393 117.8984 54.8001 41.9193 176.0435 106 G 4.0149 7.8331 108.0541 43.4455 0.0000 171.7967 107 P 4.2848 0.0000 0.0000 62.6210 31.5865 175.8558 108 G 4.3517 8.1808 109.8115 44.2436 0.0000 171.9461 109 P 4.2195 0.0000 0.0000 65.2154 31.1798 177.3199 110 N 4.5890 8.2213 113.6387 53.3169 40.0815 174.8773 111 G 3.9332 7.9382 105.4701 45.9256 0.0000 172.5138 112 L 5.1512 7.7162 117.3292 52.5653 45.0189 176.7329 113 R 4.3457 8.6190 122.7078 55.0241 31.5341 174.8101 114 Y 4.7281 9.0272 130.0992 57.1197 39.1373 173.0240 115 C 5.1293 8.5762 127.1003 57.6086 33.6620 172.2894 116 I 4.8037 8.0400 127.3272 59.1576 39.4227 175.4980 117 N 3.4520 7.7010 122.6655 51.6808 38.1805 176.0164 118 S 4.3088 8.6259 116.4151 61.0109 63.4981 176.4696 119 A 3.8659 7.9269 122.7312 54.9196 18.3116 178.3817 120 A 4.5007 8.2944 116.6765 52.6412 19.0302 176.6036 121 L 5.9376 7.5466 115.9073 52.2856 43.9054 176.3970 122 R 4.9716 8.3002 117.7679 54.0513 32.8418 174.3079 123 F 3.9459 8.9274 118.8703 56.7620 38.8814 175.0899 124 V 3.6749 8.0540 122.6952 59.8346 33.4712 173.1253 125 P 4.6132 0.0000 0.0000 62.0911 31.9814 177.7138 126 K 3.5045 8.4306 121.8365 59.9141 31.3205 178.8594 127 H 4.1132 7.9903 118.1832 58.9243 30.0035 176.8207 128 K 3.6483 7.6819 120.6961 58.8190 32.1171 178.6647 129 L 3.6974 7.9338 119.9666 57.3654 41.2435 179.2036 130 K 4.1576 7.5888 119.0364 59.2620 32.0976 178.1940 131 E 4.1176 7.4266 118.9162 58.6124 29.7249 177.5542 132 E 4.4948 7.6194 115.1710 55.4918 31.0904 176.2071 133 G 4.2804 9.1441 109.7320 48.3715 0.0000 175.6617 134 Y 4.2913 8.8515 119.2017 59.7800 38.8158 179.0707 135 E 3.7555 6.9558 119.6699 58.3241 29.6521 178.3890 136 S 4.2416 7.6244 114.6299 61.4689 63.5617 175.7156 137 Y 4.4126 7.5645 118.9574 61.0195 37.8405 177.9730 138 L 4.3831 8.6375 120.1375 57.8017 41.5641 179.1593 139 H 4.2376 8.3372 117.5662 58.9234 29.9110 176.3715 140 L 4.3085 7.8187 119.5245 56.6015 41.9197 178.5145 141 F 4.6375 8.2094 119.8775 59.9744 39.5225 174.9088 142 N 4.3775 8.0060 115.7306 52.6735 41.3354 173.1311 143 K 4.8306 8.3510 124.1265 55.2517 36.1464 175.0736 144 L 4.6517 8.0371 117.3368 54.7784 42.8731 175.6152 145 E 4.4695 8.3457 120.3196 54.6061 29.7685 173.2172 146 H 4.4099 8.3589 119.0613 55.8324 29.6013 174.6400 147 H 4.3864 8.5986 125.6906 56.1518 29.7086 174.7303 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 M 8.30 4.31 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 2 A 8.44 4.17 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 3 Y 8.98 4.63 0.00 2.97 2.80 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 0.00 0.00 0.00 0.00 4 N 8.22 5.06 0.00 2.66 2.61 0.00 0.00 6.35 8.65 0.00 0.00 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 K 8.17 3.89 0.00 1.91 1.99 0.00 1.47 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 6 E 7.91 3.80 0.00 1.96 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 2.34 2.31 0.00 7 E 7.90 3.96 0.00 1.92 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 2.36 2.27 0.00 8 K 7.53 4.13 0.00 1.53 1.77 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 9 I 7.63 3.74 1.84 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 1.61 0.79 0.90 0.00 0.00 10 K 7.96 3.89 0.00 1.84 1.99 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 11 S 8.08 4.29 0.00 4.04 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 0.00 12 L 8.08 4.05 0.00 1.89 1.85 0.97 0.54 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 13 N 8.50 4.41 0.00 2.85 2.87 0.00 0.00 7.17 8.35 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 14 R 7.61 3.95 0.00 2.08 2.03 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 15 M 7.89 4.43 0.00 2.18 2.06 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 2.68 2.47 0.00 16 Q 8.24 3.97 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 17 Y 8.10 4.19 0.00 3.20 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 18 E 8.29 3.82 0.00 2.30 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 2.40 2.69 0.00 19 V 7.51 3.98 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 1.13 0.00 0.00 1.14 0.00 0.00 20 T 7.80 3.80 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 1.22 0.00 0.00 21 Q 7.82 3.74 0.00 1.09 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.78 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 22 N 7.39 4.70 0.00 2.61 2.89 0.00 0.00 7.40 7.61 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 23 N 8.34 4.51 0.00 3.05 3.16 0.00 0.00 6.92 7.83 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 24 G 8.08 3.74 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 0.00 0.00 0.00 25 T 8.49 4.85 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 1.20 0.00 0.00 26 E 8.93 4.17 0.00 2.17 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 2.38 2.34 0.00 27 P 0.00 4.35 0.00 1.88 1.98 0.00 4.01 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 28 P 0.00 4.22 0.00 1.79 1.96 0.00 3.44 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 29 F 8.48 5.12 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 30 Q 8.11 4.38 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 31 N 8.38 5.17 0.00 3.02 2.86 0.00 0.00 7.10 7.72 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 32 E 9.10 4.03 0.00 1.98 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 2.37 2.30 0.00 33 Y 8.12 4.03 0.00 2.67 2.71 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 34 W 8.46 4.48 0.00 3.58 3.32 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 35 D 7.83 5.53 0.00 2.88 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 36 H 7.47 3.94 0.00 2.20 1.88 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.42 4.51 0.00 1.73 1.85 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.56 1.43 7.81 38 E 7.44 4.10 0.00 2.03 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 2.44 2.34 0.00 39 E 8.86 4.10 0.00 2.50 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 2.41 2.33 0.00 40 G 7.13 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.83 5.05 0.00 1.28 1.38 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.45 4.79 0.00 1.51 2.42 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 43 V 8.14 4.81 2.22 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 0.91 0.00 0.00 0.92 0.00 0.00 44 D 8.66 4.75 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.77 3.72 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.93 0.00 0.00 46 V 8.05 3.71 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 0.74 0.00 0.00 1.06 0.00 0.00 47 S 7.41 4.47 0.00 4.07 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 48 G 8.44 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 0.00 0.00 0.00 49 K 7.87 4.53 0.00 1.84 1.78 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.40 7.81 50 P 0.00 4.57 0.00 2.14 2.15 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.48 0.00 51 L 8.66 4.94 0.00 2.02 2.16 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.84 5.44 0.00 3.20 3.36 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 53 T 8.65 4.79 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 54 S 9.05 4.58 0.00 3.89 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 0.00 55 K 8.81 4.21 0.00 1.62 1.76 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.14 1.45 7.81 56 D 7.70 4.77 0.00 2.55 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 0.00 0.00 0.00 57 K 7.97 4.33 0.00 2.08 1.81 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.47 1.29 7.81 58 F 8.50 5.15 0.00 3.35 3.08 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 59 D 7.68 4.44 0.00 2.34 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 0.00 0.00 0.00 0.00 60 S 8.08 4.50 0.00 3.87 4.13 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 61 Q 7.38 4.27 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 7.52 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 62 C 8.25 4.65 0.00 3.14 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 63 G 8.54 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 7.36 5.30 0.00 3.33 3.15 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 0.00 0.00 0.00 65 P 0.00 4.65 0.00 2.11 2.31 0.00 4.00 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 66 S 9.50 5.15 0.00 3.91 4.04 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 0.00 0.00 0.00 67 F 8.93 4.78 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 68 T 7.07 4.08 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 0.65 0.00 0.00 69 K 8.48 4.45 0.00 2.01 2.13 0.00 1.94 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.45 7.81 70 P 0.00 3.65 0.00 1.80 0.75 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 71 I 7.94 4.28 2.07 0.00 0.00 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 1.37 1.40 0.97 0.00 0.00 72 E 8.72 4.09 0.00 1.94 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 2.30 2.23 0.00 73 E 7.90 4.03 0.00 1.98 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 2.24 0.00 74 E 8.13 4.55 0.00 1.92 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 0.00 2.19 2.34 0.00 75 V 7.78 4.32 2.27 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 0.95 0.00 0.00 1.08 0.00 0.00 76 E 8.67 4.79 0.00 2.15 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 2.30 2.28 0.00 77 E 8.79 4.54 0.00 1.97 1.97 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 2.25 2.30 0.00 78 K 8.83 4.41 0.00 1.81 1.73 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.37 7.81 79 L 8.59 4.76 0.00 1.67 1.54 0.97 1.20 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 80 D 9.06 4.84 0.00 2.67 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 81 T 8.01 4.92 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 82 S 8.78 4.25 0.00 3.91 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 83 H 7.79 4.68 0.00 3.15 3.17 0.00 5.66 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 84 G 8.73 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 85 M 7.75 4.65 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 86 I 8.07 4.33 1.88 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 1.44 0.57 0.92 0.00 0.00 87 R 8.69 4.83 0.00 2.02 1.67 0.00 3.15 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 88 T 7.95 5.01 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 1.18 0.00 0.00 89 E 8.92 4.87 0.00 1.85 1.88 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 2.23 2.39 0.00 90 V 8.12 4.83 2.23 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 0.94 0.00 0.00 1.00 0.00 0.00 91 R 8.45 4.56 0.00 1.75 1.83 0.00 3.05 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 92 S 9.01 4.83 0.00 3.87 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 93 R 8.46 4.11 0.00 1.96 2.03 0.00 3.08 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 94 T 7.50 4.12 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 95 A 7.72 4.55 1.28 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 0.00 0.00 0.00 96 D 8.00 4.67 0.00 2.74 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 97 S 7.76 4.29 0.00 3.76 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 98 H 7.56 4.81 0.00 3.31 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.28 3.70 0.00 1.86 1.62 1.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 100 G 6.59 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 0.00 0.00 0.00 101 H 7.68 5.13 0.00 3.05 2.89 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.35 5.41 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 1.07 0.00 0.00 0.90 0.00 0.00 103 F 8.71 5.05 0.00 2.94 2.89 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 0.00 104 N 9.00 5.30 0.00 2.75 2.88 0.00 0.00 7.20 8.07 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 0.00 105 D 8.14 4.53 0.00 2.64 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 0.00 106 G 7.83 4.01 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 0.00 0.00 0.00 107 P 0.00 4.28 0.00 1.99 1.96 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 108 G 8.18 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 0.00 0.00 0.00 0.00 109 P 0.00 4.22 0.00 2.04 2.14 0.00 3.64 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 2.03 2.09 0.00 110 N 8.22 4.59 0.00 2.64 2.82 0.00 0.00 7.31 8.05 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 0.00 111 G 7.94 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 0.00 0.00 0.00 112 L 7.72 5.15 0.00 1.54 1.61 1.00 0.92 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 0.00 113 R 8.62 4.35 0.00 1.98 2.10 0.00 3.21 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 114 Y 9.03 4.73 0.00 3.08 3.05 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 0.00 0.00 0.00 0.00 115 C 8.58 5.13 0.00 3.10 3.12 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 0.00 116 I 8.04 4.80 1.80 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.69 0.96 0.00 0.00 117 N 7.70 3.45 0.00 1.60 1.42 0.00 0.00 6.68 8.77 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 0.00 118 S 8.63 4.31 0.00 4.21 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 0.00 119 A 7.93 3.87 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 0.00 120 A 8.29 4.50 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 0.00 121 L 7.55 5.94 0.00 1.76 1.80 1.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 122 R 8.30 4.97 0.00 1.75 2.03 0.00 2.92 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 123 F 8.93 3.95 0.00 2.68 3.05 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 0.00 0.00 0.00 0.00 124 V 8.05 3.67 1.59 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 0.51 0.00 0.00 0.63 0.00 0.00 125 P 0.00 4.61 0.00 2.12 2.07 0.00 3.26 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.30 0.00 126 K 8.43 3.50 0.00 1.41 1.70 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.33 7.81 127 H 7.99 4.11 0.00 3.17 3.20 0.00 5.72 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 0.00 128 K 7.68 3.65 0.00 1.75 1.68 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.48 7.81 129 L 7.93 3.70 0.00 1.77 1.65 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.59 4.16 0.00 1.72 1.90 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 0.88 7.81 131 E 7.43 4.12 0.00 1.76 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 0.00 2.30 2.31 0.00 132 E 7.62 4.49 0.00 2.02 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 0.00 2.28 2.38 0.00 133 G 9.14 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 0.00 0.00 0.00 0.00 134 Y 8.85 4.29 0.00 3.23 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 0.00 135 E 6.96 3.76 0.00 1.39 1.61 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 2.11 2.25 0.00 136 S 7.62 4.24 0.00 3.37 3.51 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 0.00 137 Y 7.56 4.41 0.00 3.00 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 0.00 138 L 8.64 4.38 0.00 2.14 1.93 1.01 1.33 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 0.00 139 H 8.34 4.24 0.00 3.24 3.35 0.00 5.74 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 0.00 140 L 7.82 4.31 0.00 1.91 1.77 1.09 0.78 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 0.00 141 F 8.21 4.64 0.00 2.96 3.27 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 0.00 142 N 8.01 4.38 0.00 2.31 2.66 0.00 0.00 6.91 7.48 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 0.00 143 K 8.35 4.83 0.00 1.85 1.89 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.37 7.81 144 L 8.04 4.65 0.00 1.74 1.63 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.35 4.47 0.00 1.94 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 2.23 2.27 0.00 146 H 8.36 4.41 0.00 3.10 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.60 4.39 0.00 3.13 3.13 0.00 5.81 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