NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3892 8.3044 120.3207 55.9161 33.8119 174.7540 2 H 4.7443 8.4038 117.8292 54.9292 29.5068 172.2302 3 L 4.7120 8.0668 120.4286 53.5423 44.8191 177.3996 4 T 4.1494 8.1914 120.1071 62.2795 70.5037 174.2071 5 P 3.9801 0.0000 0.0000 66.6165 30.7907 178.6426 6 E 3.9782 8.0464 117.4207 59.1701 29.5712 178.9686 7 E 3.9724 7.9097 118.2482 59.0655 29.6145 179.2905 8 K 3.8860 8.8251 119.7104 59.4998 32.1690 179.5943 9 S 4.1524 8.1923 114.2660 61.2080 62.7482 176.4581 10 A 3.9913 7.8097 124.3190 54.9667 18.1665 179.4552 11 V 3.3892 7.5817 116.4561 66.4273 31.2101 178.0033 12 T 3.9429 7.9677 114.9510 67.0454 68.2345 176.4602 13 A 4.0824 7.9951 120.7857 54.8015 18.6284 179.1094 14 L 3.9597 7.9562 119.3124 57.8148 42.1699 178.6593 15 W 4.3789 8.6926 128.5885 60.6315 30.3577 178.0332 16 G 3.7520 7.8790 104.4594 47.3863 0.0000 174.7536 17 K 4.3713 7.8400 117.7656 55.5749 32.8183 176.7622 18 V 3.8230 7.0825 120.3455 61.7778 32.4187 175.7227 19 N 4.5436 8.1872 125.0482 52.2817 39.0837 175.6699 20 V 3.5065 8.0612 128.6417 65.6865 31.5553 177.2952 21 D 4.3264 8.0732 118.3957 57.4634 40.7766 178.4741 22 E 3.9297 8.5221 118.8463 59.5063 29.5689 179.6828 23 V 3.5930 7.9223 118.5197 65.5974 31.6125 178.3526 24 G 3.6682 8.4291 106.0756 47.7589 0.0000 175.9905 25 G 3.5979 7.7745 108.9094 47.3213 0.0000 175.4444 26 E 3.9133 8.1907 121.7242 58.7401 29.6501 178.7388 27 A 3.9194 8.0473 120.8131 55.1669 18.5511 179.4025 28 L 3.9744 7.8079 118.5437 58.1456 42.1326 179.4211 29 G 3.5365 8.0973 105.6995 47.9201 0.0000 175.8970 30 R 3.9043 8.3172 121.2230 58.5979 30.0194 178.7442 31 L 4.0058 7.8702 120.1644 58.4796 42.0008 179.2834 32 L 4.0418 7.8855 118.3841 57.1537 41.1945 179.5822 33 V 3.6554 7.1139 117.1013 65.3805 31.8611 177.9458 34 V 3.4699 7.9151 116.9022 64.6352 32.8236 175.9216 35 Y 3.7609 7.0764 116.9698 54.0752 37.4624 174.0036 36 P 4.5573 0.0000 0.0000 64.9802 31.2946 178.3454 37 W 4.4068 8.0712 115.5261 59.0353 27.8426 177.7178 38 T 4.2488 7.8062 110.6706 63.8067 68.3125 175.9134 39 Q 4.3648 8.2154 121.4551 57.7576 28.5244 177.9132 40 R 3.8038 7.4683 116.7985 58.4869 29.2614 177.7371 41 F 4.3418 7.0394 115.9582 56.9612 40.4939 175.5136 42 F 4.5870 7.4984 117.6149 56.5832 39.1835 176.7639 43 E 4.1608 7.9935 122.4938 59.2954 30.0094 179.6105 44 S 4.4928 8.0502 110.9368 59.7840 63.4271 174.9830 45 F 4.5406 7.9703 118.9444 59.0537 39.9139 175.4214 46 G 4.0422 7.2376 105.0749 44.4339 0.0000 175.3209 47 D 4.6471 8.7974 127.7561 53.5856 39.6080 175.6821 48 L 4.9150 8.2259 127.8009 54.6576 42.9545 179.1237 49 S 4.4135 8.2333 117.3710 61.0342 63.1872 175.1726 50 T 4.7290 7.3525 108.0988 58.1829 72.9085 172.6478 51 P 4.1832 0.0000 0.0000 66.2046 31.3913 178.2411 52 D 4.3957 8.2097 116.4291 57.7507 40.5906 179.0827 53 A 4.0622 8.1840 119.5128 54.4728 18.4280 179.6585 54 V 3.7606 7.7971 117.2306 66.4237 31.6271 178.2031 55 M 4.1676 8.6822 117.6801 58.0454 31.8041 178.4232 56 G 3.9486 8.0012 104.5779 45.1179 0.0000 173.3700 57 N 4.3559 7.5606 120.6357 53.0079 39.2331 173.6765 58 P 4.2871 0.0000 0.0000 65.9016 31.3497 178.5889 59 K 3.6892 8.2480 118.3895 58.9108 31.7810 179.5501 60 V 3.7275 7.8751 118.1525 66.0604 31.5134 178.1117 61 K 3.9543 8.0915 118.0489 59.4407 31.4964 179.1989 62 A 4.0653 8.1751 121.0192 55.0262 18.3148 179.1668 63 H 4.3916 8.3527 117.2636 59.1784 29.9385 177.6731 64 G 3.5982 8.2527 107.8076 47.6845 0.0000 175.6217 65 K 4.0559 7.9283 121.8504 58.8745 32.2593 179.0083 66 K 4.0032 7.7333 119.8412 59.2752 32.1652 179.0891 67 V 3.6022 7.8961 118.5245 66.2180 31.5046 178.1747 68 L 4.3536 8.1397 118.6512 57.5270 41.3745 179.4212 69 G 3.8200 8.1646 105.5888 47.7960 0.0000 175.2818 70 A 4.1483 8.0000 123.4173 54.5899 18.7382 179.2808 71 F 4.2915 8.4912 118.8237 61.6149 39.4359 177.0002 72 S 4.2401 9.1613 113.4166 62.0265 62.0939 176.0981 73 D 4.5419 8.4937 121.1684 56.9967 40.5138 178.8672 74 G 3.5339 8.0258 106.2174 47.0403 0.0000 175.0799 75 L 3.9874 7.1868 118.9945 55.7599 41.7472 177.7269 76 A 4.5450 7.4938 119.5158 52.0232 20.1317 176.3096 77 H 4.8276 7.9694 115.4419 54.8226 29.9557 175.1162 78 L 3.8936 8.1492 121.7255 57.2906 42.1498 176.6484 79 D 4.7843 7.5127 116.0615 54.1004 41.9316 176.3517 80 N 4.6648 7.8380 114.0569 52.1644 41.2981 175.1290 81 L 4.0211 7.5226 122.7015 57.2892 41.9526 178.7456 82 K 3.9382 8.1755 119.5120 59.8802 31.8573 178.9300 83 G 3.6547 8.0191 104.2402 47.9446 0.0000 175.4890 84 T 3.7962 7.4093 116.8532 65.5366 68.6319 175.9313 85 F 4.7973 8.1561 117.6557 57.0451 39.2085 177.2879 86 A 4.0482 7.5555 121.7203 56.0298 18.1793 180.6313 87 T 3.8638 7.8528 113.3337 66.6478 68.5769 176.6601 88 L 4.1109 7.9602 121.9114 57.9445 42.1538 178.8183 89 S 4.4906 8.5210 115.1244 60.9235 62.3887 176.0055 90 E 3.8821 8.2094 121.3586 59.1305 29.1100 178.9241 91 L 3.8887 7.8632 120.3431 58.7414 42.1841 178.8800 92 H 4.1490 8.2360 115.9453 59.1720 28.1972 176.9427 93 C 3.5480 7.6014 120.4485 62.1196 31.1325 175.3259 94 D 4.3960 8.5389 121.6793 56.1553 40.6037 177.4098 95 K 4.3295 7.8889 117.3181 57.7541 33.6793 177.5643 96 L 4.1532 7.7448 116.1675 55.2132 42.2608 176.2464 97 H 4.1754 7.2155 113.2165 56.6333 26.6083 175.0578 98 V 3.7369 7.8168 118.4208 61.2172 32.5155 174.8192 99 D 4.3971 8.6264 127.2662 53.4553 41.8052 175.0362 100 P 3.3425 0.0000 0.0000 64.8960 31.7762 177.9692 101 E 3.8976 8.2420 118.8905 59.1323 29.2982 178.3788 102 N 4.2583 7.9243 116.6983 56.2677 38.5747 177.2350 103 F 4.4995 7.4206 119.1803 60.6509 39.0691 177.9507 104 R 4.0199 7.8097 117.3170 58.9434 29.9789 178.7802 105 L 3.7617 7.7494 118.8669 57.5976 41.5051 179.2351 106 L 4.0318 8.0940 120.3572 58.0807 42.0377 178.9392 107 G 3.9231 7.9717 105.4306 48.2664 0.0000 175.3181 108 N 4.4382 8.0840 118.7901 55.7392 38.4540 177.7022 109 V 3.5873 7.9441 119.7675 65.8778 31.5676 177.4642 110 L 3.8472 8.6580 121.2551 58.5151 41.8538 179.1344 111 V 3.5514 7.9085 117.7220 66.3667 31.4254 177.7946 112 C 4.1919 8.0069 116.3418 62.5554 27.8663 176.2721 113 V 3.5791 7.9754 120.2856 65.9668 31.0669 178.0712 114 L 3.8312 7.9091 118.7346 57.6479 41.3427 179.4158 115 A 3.7248 7.3502 120.5950 55.1202 18.0733 178.9911 116 H 4.0666 7.8909 115.7291 59.8906 29.9938 176.9720 117 H 3.9472 8.1202 116.3810 58.4258 28.9603 177.1230 118 F 4.6271 8.5469 117.6731 55.2737 39.6008 178.5570 119 G 3.9047 8.8440 108.7257 45.6955 0.0000 175.0904 120 K 3.8974 9.3804 121.6146 59.7809 31.9672 177.1965 121 E 4.0433 8.1979 119.3880 58.3805 29.7975 177.2368 122 F 4.5329 8.0939 122.5135 57.0104 37.9369 175.4525 123 T 4.2102 7.3719 115.4599 59.9656 71.4636 173.5400 124 P 4.1278 0.0000 0.0000 65.7549 31.2184 177.2034 125 P 4.2253 0.0000 0.0000 65.3769 31.2500 178.9210 126 V 3.5892 7.3828 117.1607 65.7322 31.4300 177.8252 127 Q 3.5542 8.1644 119.4582 58.9369 28.6915 178.0514 128 A 3.9905 8.0671 121.5247 55.3602 18.4455 179.5528 129 A 3.9218 7.8077 119.1706 55.4773 18.3299 179.5275 130 Y 3.9259 8.1119 115.3614 61.1363 37.9748 178.4750 131 Q 4.1136 8.8313 119.6541 58.8933 28.7626 178.9148 132 K 4.0469 7.9373 119.7611 59.1417 31.9531 179.7322 133 V 3.4954 7.5537 118.1831 66.0389 31.4260 178.5034 134 V 3.7164 8.1907 112.2150 64.3593 31.3126 178.4099 135 A 4.0836 8.0923 120.4888 55.0783 18.2717 179.6591 136 G 3.6365 8.1331 104.2681 48.1097 0.0000 175.8577 137 V 3.3855 8.5053 121.8699 65.4364 31.6505 177.8201 138 A 3.8967 8.1678 120.6192 55.2899 18.1228 179.3692 139 N 4.2861 8.4371 114.8926 56.3361 38.4005 177.5001 140 A 4.0217 7.8177 120.9298 55.3407 18.7124 179.5373 141 L 3.9142 8.0207 117.2977 57.2152 41.5720 178.8546 142 A 4.3652 7.8407 119.1334 53.0030 18.7837 178.4380 143 H 4.1126 7.8717 117.0371 59.2519 29.8758 176.0309 144 K 4.3599 8.2733 115.3136 56.4641 32.1186 176.6377 145 Y 4.1626 7.9574 117.7747 58.3953 38.4028 175.7476 146 H 4.4670 8.3282 117.8960 56.1230 28.3588 173.2224 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 4.39 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 2 H 8.40 4.74 0.00 3.14 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.07 4.71 0.00 1.58 1.47 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.19 4.15 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 1.24 0.00 0.00 5 P 0.00 3.98 0.00 2.23 2.31 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 6 E 8.05 3.98 0.00 2.05 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 2.44 0.00 7 E 7.91 3.97 0.00 2.16 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 2.35 2.34 0.00 8 K 8.83 3.89 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.46 7.81 9 S 8.19 4.15 0.00 4.06 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 0.00 10 A 7.81 3.99 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 11 V 7.58 3.39 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 0.51 0.00 0.00 0.55 0.00 0.00 12 T 7.97 3.94 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 1.29 0.00 0.00 13 A 8.00 4.08 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.96 3.96 0.00 1.84 2.06 0.35 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.69 4.38 0.00 3.81 3.37 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 16 G 7.88 3.75 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 0.00 0.00 0.00 17 K 7.84 4.37 0.00 2.06 2.17 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.48 7.81 18 V 7.08 3.82 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 0.00 0.00 -0.05 0.00 0.00 0.72 0.00 0.00 19 N 8.19 4.54 0.00 2.70 2.60 0.00 0.00 6.83 7.71 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 20 V 8.06 3.51 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 1.21 0.00 0.00 0.90 0.00 0.00 21 D 8.07 4.33 0.00 3.01 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 22 E 8.52 3.93 0.00 1.95 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 2.29 2.42 0.00 23 V 7.92 3.59 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 0.88 0.00 0.00 0.65 0.00 0.00 24 G 8.43 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.91 0.00 2.27 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 2.29 2.32 0.00 27 A 8.05 3.92 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 28 L 7.81 3.97 0.00 1.77 1.63 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.10 3.54 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 0.00 30 R 8.32 3.90 0.00 1.87 1.95 0.00 3.10 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 31 L 7.87 4.01 0.00 1.92 1.91 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.89 4.04 0.00 1.87 1.70 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.11 3.66 2.03 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 0.73 0.00 0.00 0.91 0.00 0.00 34 V 7.92 3.47 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.80 0.00 0.00 35 Y 7.08 3.76 0.00 2.47 1.43 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 0.00 36 P 0.00 4.56 0.00 2.35 2.36 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 37 W 8.07 4.41 0.00 3.58 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.25 4.41 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 0.00 0.00 0.00 1.06 0.00 0.00 39 Q 8.22 4.36 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 40 R 7.47 3.80 0.00 1.56 1.91 0.00 2.95 0.00 0.00 2.55 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.50 0.00 41 F 7.04 4.34 0.00 1.54 2.46 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 0.00 0.00 0.00 0.00 42 F 7.50 4.59 0.00 2.86 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 0.00 0.00 0.00 43 E 7.99 4.16 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 2.33 2.20 0.00 44 S 8.05 4.49 0.00 4.12 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 45 F 7.97 4.54 0.00 3.20 3.17 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 46 G 7.24 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 0.00 0.00 0.00 47 D 8.80 4.65 0.00 2.67 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 48 L 8.23 4.92 0.00 1.73 1.61 1.05 1.01 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 49 S 8.23 4.41 0.00 3.95 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 50 T 7.35 4.73 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 51 P 0.00 4.18 0.00 2.15 2.14 0.00 3.61 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 2.10 2.18 0.00 52 D 8.21 4.40 0.00 2.67 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 A 8.18 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.76 2.21 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 1.07 0.00 0.00 0.96 0.00 0.00 55 M 8.68 4.17 0.00 1.96 2.10 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 2.61 2.83 0.00 56 G 8.00 3.95 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 0.00 0.00 0.00 57 N 7.56 4.36 0.00 2.93 2.93 0.00 0.00 6.78 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 58 P 0.00 4.29 0.00 2.25 2.26 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.25 3.69 0.00 1.77 0.74 0.00 1.34 0.00 0.00 1.03 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.01 1.21 7.81 60 V 7.88 3.73 2.30 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 1.06 0.00 0.00 1.11 0.00 0.00 61 K 8.09 3.95 0.00 1.95 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 62 A 8.18 4.07 1.33 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 0.00 0.00 0.00 63 H 8.35 4.39 0.00 3.53 3.46 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.93 4.06 0.00 1.94 1.93 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.44 7.81 66 K 7.73 4.00 0.00 2.05 1.96 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.50 7.81 67 V 7.90 3.60 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 1.00 0.00 0.00 0.88 0.00 0.00 68 L 8.14 4.35 0.00 1.97 1.87 1.18 0.92 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 69 G 8.16 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 70 A 8.00 4.15 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 71 F 8.49 4.29 0.00 3.27 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 72 S 9.16 4.24 0.00 4.61 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 0.00 73 D 8.49 4.54 0.00 2.73 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 74 G 8.03 3.53 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 75 L 7.19 3.99 0.00 1.51 1.43 -0.37 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.49 4.55 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 77 H 7.97 4.83 0.00 3.03 3.14 0.00 5.82 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.15 3.89 0.00 1.46 1.60 0.72 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.51 4.78 0.00 2.64 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 80 N 7.84 4.66 0.00 2.68 2.59 0.00 0.00 7.22 6.96 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 81 L 7.52 4.02 0.00 1.78 1.90 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.18 3.94 0.00 1.81 1.77 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.23 1.36 7.81 83 G 8.02 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.41 3.80 3.46 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 0.00 0.00 0.00 0.48 0.00 0.00 85 F 8.16 4.80 0.00 3.09 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 86 A 7.56 4.05 1.40 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 0.00 0.00 87 T 7.85 3.86 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 88 L 7.96 4.11 0.00 1.89 1.99 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.52 4.49 0.00 4.18 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 90 E 8.21 3.88 0.00 2.17 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 2.33 2.55 0.00 91 L 7.86 3.89 0.00 1.86 1.89 0.91 1.11 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 92 H 8.24 4.15 0.00 3.62 3.81 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.60 3.55 0.00 1.55 2.53 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 94 D 8.54 4.40 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 95 K 7.89 4.33 0.00 1.84 1.79 0.00 1.54 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 96 L 7.74 4.15 0.00 1.73 1.64 0.72 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.22 4.18 0.00 3.47 3.44 0.00 5.64 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.82 3.74 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 0.10 0.00 0.00 0.57 0.00 0.00 99 D 8.63 4.40 0.00 2.80 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 0.00 100 P 0.00 3.34 0.00 1.93 1.84 0.00 3.36 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 101 E 8.24 3.90 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 2.31 2.39 0.00 102 N 7.92 4.26 0.00 2.48 2.65 0.00 0.00 6.90 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 0.00 103 F 7.42 4.50 0.00 3.11 2.92 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 0.00 104 R 7.81 4.02 0.00 2.00 1.96 0.00 3.26 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.75 3.76 0.00 1.68 1.26 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.03 0.00 1.79 1.72 0.92 1.07 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 0.00 107 G 7.97 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 0.00 0.00 0.00 0.00 108 N 8.08 4.44 0.00 2.97 2.94 0.00 0.00 6.72 7.04 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 0.00 109 V 7.94 3.59 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 1.16 0.00 0.00 1.15 0.00 0.00 110 L 8.66 3.85 0.00 1.70 1.90 0.86 0.19 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 0.00 111 V 7.91 3.55 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 1.29 0.00 0.00 1.17 0.00 0.00 112 C 8.01 4.19 0.00 3.23 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 0.00 113 V 7.98 3.58 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 1.06 0.00 0.00 0.97 0.00 0.00 114 L 7.91 3.83 0.00 0.99 0.95 0.71 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.35 3.72 1.40 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 0.00 0.00 116 H 7.89 4.07 0.00 3.24 3.58 0.00 5.95 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 0.00 117 H 8.12 3.95 0.00 2.84 2.63 0.00 5.70 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 0.00 118 F 8.55 4.63 0.00 3.28 3.13 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 0.00 119 G 8.84 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 0.00 120 K 9.38 3.90 0.00 1.92 2.05 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.54 7.81 121 E 8.20 4.04 0.00 2.37 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 0.00 2.35 2.34 0.00 122 F 8.09 4.53 0.00 3.10 3.18 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 0.00 123 T 7.37 4.21 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 1.31 0.00 0.00 124 P 0.00 4.13 0.00 2.14 2.15 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 125 P 0.00 4.23 0.00 2.12 2.06 0.00 3.45 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.38 3.59 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 1.02 0.00 0.00 0.90 0.00 0.00 127 Q 8.16 3.55 0.00 1.54 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 128 A 8.07 3.99 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 0.00 129 A 7.81 3.92 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 0.00 130 Y 8.11 3.93 0.00 3.46 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 0.00 131 Q 8.83 4.11 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 132 K 7.94 4.05 0.00 1.89 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.46 1.65 7.81 133 V 7.55 3.50 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 0.81 0.00 0.00 0.76 0.00 0.00 134 V 8.19 3.72 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 1.03 0.00 0.00 1.11 0.00 0.00 135 A 8.09 4.08 1.40 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 0.00 0.00 136 G 8.13 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 0.00 0.00 0.00 137 V 8.51 3.39 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 0.68 0.00 0.00 0.70 0.00 0.00 138 A 8.17 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.44 4.29 0.00 2.97 2.88 0.00 0.00 6.93 8.37 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 0.00 140 A 7.82 4.02 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 0.00 141 L 8.02 3.91 0.00 1.35 0.72 -0.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.84 4.37 1.35 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 0.00 143 H 7.87 4.11 0.00 3.27 3.66 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.27 4.36 0.00 1.81 1.82 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.79 7.81 145 Y 7.96 4.16 0.00 3.11 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 0.00 146 H 8.33 4.47 0.00 3.22 3.23 0.00 5.75 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