NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4178 8.3144 122.0584 56.4043 33.4841 175.5685 4 C 4.6265 9.5070 129.2380 55.5155 43.8217 170.9424 5 S 4.9315 10.0311 122.8405 56.8397 64.0619 173.2730 6 L 4.4865 8.3430 123.8888 55.9358 42.7534 177.7265 7 T 3.8605 7.6987 115.1792 64.0422 69.0118 172.7112 8 G 3.6104 8.0089 111.3563 43.8828 0.0000 172.0011 9 K 5.0853 8.1694 117.9192 54.5952 34.6515 175.9358 10 W 5.6129 9.3017 123.1982 55.2259 33.8581 174.3195 11 T 5.3430 9.1685 112.6673 60.1115 71.8686 172.4620 12 N 5.9342 8.6487 119.5773 49.7143 40.3543 174.9711 13 N 4.3600 8.7081 115.2426 55.3092 37.3527 175.7273 14 L 4.1995 8.0488 117.4882 54.9732 42.0598 177.5534 15 G 3.9709 8.1998 107.7252 44.8107 0.0000 174.1258 16 S 4.5342 7.9284 115.5962 58.6183 64.5588 173.0408 17 I 5.2141 8.4848 122.6768 59.7467 40.3398 174.6469 18 M 5.0784 9.0599 122.7899 53.7345 35.1781 174.1944 19 T 4.9974 8.7976 116.8289 61.9905 71.9400 172.8542 20 I 4.6538 8.7586 127.7830 59.8789 39.7145 176.1574 21 R 4.5585 8.5050 126.6336 55.0725 32.7381 175.8967 22 A 4.0050 8.5928 122.7937 53.1408 18.9517 177.3514 23 V 4.3079 7.5948 122.9257 61.5455 32.5737 176.0652 24 N 4.8021 8.7767 125.6701 51.6308 38.8718 175.7894 25 S 4.2222 8.4347 111.7158 60.8324 63.1950 175.2727 26 R 4.0557 8.0888 118.6192 56.9973 30.3868 177.2412 27 G 4.4948 8.3786 106.7066 46.1229 0.0000 173.0928 28 E 4.7599 8.4692 120.1712 56.2442 30.8047 175.8939 29 F 5.2043 8.5290 116.9994 55.8508 41.9993 172.9100 30 T 5.0297 8.3980 114.0005 60.2936 71.5757 172.3943 31 G 3.9376 7.4320 109.5772 45.9456 0.0000 171.8308 32 T 5.2475 7.9112 108.2294 60.1061 72.9126 172.4869 33 Y 4.8298 9.1797 123.3257 56.0152 42.4638 173.5638 34 L 5.0029 9.0602 129.8267 53.4456 43.5057 175.2077 35 T 4.5940 8.9586 120.6837 61.7346 68.0925 174.5620 36 A 4.2260 8.7585 131.0975 54.0457 18.8836 178.0711 37 V 4.4310 7.2663 106.9167 59.9270 35.3237 174.3470 38 A 4.2694 7.9611 122.8986 51.1570 21.8319 176.4471 39 A 4.1119 8.6456 122.3690 54.9303 18.6151 177.9276 40 N 4.9311 7.6889 113.7365 50.1696 39.3781 172.9596 41 P 4.1602 0.0000 0.0000 65.0612 31.8987 179.8051 42 G 3.6274 8.0266 107.0689 48.0089 0.0000 173.6703 43 N 4.5873 7.8315 115.1968 53.2634 39.1143 175.5843 44 I 2.0000 6.9831 120.7471 60.9207 37.4987 175.5095 45 T 4.6916 7.3871 113.7714 58.9879 71.8516 173.1978 46 L 4.3584 8.6386 124.4907 56.3079 42.5517 176.3835 47 S 5.0866 9.1639 121.2019 56.0162 67.2866 171.8083 48 P 5.1059 0.0000 0.0000 62.5916 32.8407 174.8745 49 L 5.7724 8.6354 120.5953 53.0973 44.4022 175.0121 50 L 4.7377 8.2719 121.0926 53.9111 45.8478 175.0882 51 G 4.1019 8.1052 111.9949 45.4805 0.0000 171.1832 52 I 5.2288 8.4925 119.3924 59.5446 41.6032 175.1337 53 Q 5.3879 9.3736 124.2804 54.5137 31.9952 174.7353 54 H 4.6660 8.8512 117.2876 55.8102 29.5361 175.8580 55 K 4.3770 8.5772 121.5522 58.4449 33.1385 178.5298 56 R 4.0575 8.0052 116.2232 58.6209 30.3929 177.2840 57 A 4.1948 7.8154 120.4255 51.7971 19.1503 177.6229 58 S 4.3263 8.8035 116.8881 60.7464 63.6931 173.4188 59 Q 5.1277 7.8230 118.6719 51.9765 28.1721 173.4157 60 P 4.5151 0.0000 0.0000 62.8386 33.5057 177.2260 61 T 4.7609 8.4375 118.4096 63.7577 70.4809 173.0917 62 F 5.2698 8.1062 117.0829 56.6331 41.8837 172.9347 63 G 4.7439 9.4132 105.6617 45.1645 0.0000 171.6386 64 F 5.5401 9.0857 115.2235 55.8285 42.0799 172.9534 65 T 4.9916 9.0489 116.8720 61.8636 71.4988 173.4306 66 V 4.3466 8.7568 126.4850 61.3515 33.4995 174.1148 67 H 4.3842 8.3214 129.3513 54.3633 29.6673 174.5297 68 W 4.2966 7.3431 124.5775 56.8912 29.0425 176.4978 69 N 4.7649 9.3358 121.7128 53.8037 38.4020 175.5219 70 F 4.9933 7.4725 111.3392 56.1604 38.9528 174.2676 71 S 4.5400 7.2235 113.9195 57.1962 65.1535 173.2827 72 E 4.2355 8.5395 122.3213 56.8643 28.3881 176.9906 73 S 4.7777 7.7854 115.2487 58.2178 65.3009 173.2163 74 T 5.0087 8.8767 115.8769 62.2546 72.9231 173.2857 75 T 5.1609 8.4235 120.8883 61.8861 71.9770 173.5020 76 V 4.8844 8.6055 118.2122 59.5931 34.9649 174.6873 77 F 5.2654 8.8157 122.6399 55.9885 42.2318 174.2831 78 T 4.7461 8.8807 116.3712 60.6732 71.4550 173.8912 79 G 4.0387 6.7417 111.7240 45.8406 0.0000 171.5259 80 Q 4.7375 7.6654 119.4016 54.4014 33.0370 174.4548 81 C 5.0265 8.9914 126.0337 55.6704 46.1418 172.0652 82 F 5.3082 9.1535 125.8608 56.0077 41.1773 174.9064 83 I 5.1608 8.9718 123.9198 59.7420 39.4825 175.7316 84 D 4.8221 8.8945 127.5742 51.7337 41.3706 177.1971 85 R 3.9818 8.5141 114.5468 58.7932 29.3514 176.9135 86 N 4.6415 8.5626 114.6564 52.7753 38.7660 175.8312 87 G 3.9393 8.2842 106.7644 45.1656 0.0000 173.9097 88 K 4.1671 8.0197 121.5176 56.0888 32.9359 175.0551 89 E 5.3978 8.6659 125.0666 54.8991 31.8159 175.4774 90 V 4.9341 8.9282 122.5453 61.3261 35.4735 173.9969 91 L 5.0153 9.1340 127.9959 53.6345 43.3223 175.6156 92 K 5.0924 9.0694 125.0624 55.3738 33.7408 176.0361 93 T 5.3713 9.2470 114.9799 60.3123 72.6565 172.8116 94 M 5.5005 9.1633 121.7592 53.4966 36.7324 174.3856 95 W 5.4844 8.5390 116.8967 54.8417 32.4294 173.7255 96 L 5.3298 8.8586 120.6133 52.9649 44.6764 175.1729 97 L 4.9534 9.3770 126.4784 53.4415 44.3225 174.9181 98 R 4.8752 9.0703 128.6825 55.2657 31.2109 175.8183 99 S 4.7923 8.8423 123.4370 57.8369 64.4541 173.7647 100 S 4.4884 8.4239 117.1243 57.6866 62.8100 173.8138 101 V 4.4263 8.1602 119.5007 59.2430 34.5541 175.5935 102 N 4.4792 8.5002 118.8962 56.2986 38.7655 174.7515 103 D 4.6760 7.7618 115.3696 51.1011 42.2845 175.6720 104 I 3.8495 8.3307 118.2468 63.7524 37.5574 177.4872 105 S 4.2266 8.2167 114.3893 60.7545 63.1430 174.9411 106 Y 4.5725 7.8625 118.9502 57.9454 38.0705 176.5888 107 D 4.3908 8.1210 121.1531 57.1082 41.0173 178.1161 108 W 4.3154 8.3964 115.5425 58.7178 28.0980 176.5775 109 K 3.7525 6.5734 115.0791 56.1880 32.0920 176.5786 110 A 4.2650 7.7422 122.1772 52.8348 19.1150 176.8732 111 T 5.0491 7.5747 112.6930 61.8377 71.1431 173.8228 112 R 4.8170 9.1268 126.3114 54.7046 32.7681 175.8966 113 V 4.4419 7.7017 119.8896 60.3304 34.8366 174.9086 114 G 3.1839 6.1877 107.2307 45.8086 0.0000 171.2932 115 Y 5.4961 8.2125 116.9342 55.5551 41.4434 174.7453 116 N 5.2317 9.5148 115.7664 52.3357 43.9980 173.2679 117 N 5.7771 9.4616 120.1825 51.7112 41.3815 173.7059 118 F 5.6734 9.6648 122.6527 56.0042 42.2971 174.6497 119 T 5.4852 9.0785 111.7637 59.7146 72.5802 173.6046 120 R 3.7370 8.4288 121.2154 55.7003 30.8237 176.9529 121 L 3.9895 8.3443 124.6669 57.7102 42.3395 177.0022 122 S 4.2786 7.6868 115.6680 58.2032 62.4331 173.2119 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 3 K 8.31 4.42 0.00 1.78 1.81 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 4 C 9.51 4.63 0.00 3.18 3.04 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 5 S 10.03 4.93 0.00 3.92 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 6 L 8.34 4.49 0.00 1.27 1.11 0.34 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.70 3.86 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 1.23 0.00 0.00 8 G 8.01 3.61 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 0.00 0.00 0.00 9 K 8.17 5.09 0.00 1.56 1.63 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 10 W 9.30 5.61 0.00 3.20 3.23 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 11 T 9.17 5.34 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 1.25 0.00 0.00 12 N 8.65 5.93 0.00 2.25 1.42 0.00 0.00 6.64 6.72 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 13 N 8.71 4.36 0.00 2.90 3.06 0.00 0.00 5.96 7.79 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 14 L 8.05 4.20 0.00 1.80 1.74 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.20 3.97 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 0.00 0.00 0.00 16 S 7.93 4.53 0.00 3.94 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 17 I 8.48 5.21 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.89 0.00 0.00 18 M 9.06 5.08 0.00 1.42 2.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 19 T 8.80 5.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 I 8.76 4.65 1.91 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 0.89 0.55 0.47 0.00 0.00 21 R 8.50 4.56 0.00 1.69 1.90 0.00 3.17 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 22 A 8.59 4.01 1.24 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 0.00 0.00 23 V 7.59 4.31 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 0.91 0.00 0.00 0.85 0.00 0.00 24 N 8.78 4.80 0.00 3.00 2.98 0.00 0.00 6.33 7.31 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 25 S 8.43 4.22 0.00 4.01 4.05 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 26 R 8.09 4.06 0.00 1.99 2.01 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 27 G 8.38 4.49 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 0.00 0.00 0.00 28 E 8.47 4.76 0.00 2.03 1.79 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 2.26 2.23 0.00 29 F 8.53 5.20 0.00 3.00 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 30 T 8.40 5.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 G 7.43 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 0.00 0.00 0.00 32 T 7.91 5.25 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 33 Y 9.18 4.83 0.00 2.94 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.06 5.00 0.00 1.78 1.55 0.98 0.59 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 35 T 8.96 4.59 4.64 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 1.19 0.00 0.00 36 A 8.76 4.23 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 37 V 7.27 4.43 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 0.70 0.00 0.00 0.87 0.00 0.00 38 A 7.96 4.27 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 39 A 8.65 4.11 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 40 N 7.69 4.93 0.00 2.73 2.71 0.00 0.00 6.88 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 41 P 0.00 4.16 0.00 2.14 2.24 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 42 G 8.03 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 43 N 7.83 4.59 0.00 2.89 2.93 0.00 0.00 7.01 6.89 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 44 I 6.98 2.00 1.57 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.01 0.75 0.00 0.00 45 T 7.39 4.69 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 46 L 8.64 4.36 0.00 1.73 1.71 0.99 0.88 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 47 S 9.16 5.09 0.00 3.97 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 48 P 0.00 5.11 0.00 2.07 2.15 0.00 3.95 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 49 L 8.64 5.77 0.00 1.90 1.72 0.82 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.27 4.74 0.00 1.65 1.40 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.11 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 52 I 8.49 5.23 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 0.90 0.00 0.00 53 Q 9.37 5.39 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 54 H 8.85 4.67 0.00 3.21 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.58 4.38 0.00 1.77 1.88 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.57 7.81 56 R 8.01 4.06 0.00 1.83 2.01 0.00 3.23 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 57 A 7.82 4.19 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 58 S 8.80 4.33 0.00 4.05 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 0.00 59 Q 7.82 5.13 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 60 P 0.00 4.52 0.00 2.23 2.35 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 61 T 8.44 4.76 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 1.22 0.00 0.00 62 F 8.11 5.27 0.00 3.51 3.25 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 63 G 9.41 4.74 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 64 F 9.09 5.54 0.00 3.18 3.16 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 65 T 9.05 4.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 V 8.76 4.35 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 -0.63 0.00 0.00 0.78 0.00 0.00 67 H 8.32 4.38 0.00 3.11 3.09 0.00 6.01 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 7.34 4.30 0.00 2.77 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 0.00 0.00 0.00 69 N 9.34 4.76 0.00 2.93 3.01 0.00 0.00 6.82 6.98 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 70 F 7.47 4.99 0.00 3.17 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 71 S 7.22 4.54 0.00 3.35 3.23 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 72 E 8.54 4.24 0.00 1.95 1.94 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 2.26 2.21 0.00 73 S 7.79 4.78 0.00 4.08 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 74 T 8.88 5.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 75 T 8.42 5.16 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 76 V 8.61 4.88 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 0.70 0.00 0.00 0.90 0.00 0.00 77 F 8.82 5.27 0.00 1.51 2.64 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 78 T 8.88 4.75 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 1.15 0.00 0.00 79 G 6.74 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 80 Q 7.67 4.74 0.00 1.85 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.80 0.00 0.00 0.00 0.00 0.00 1.30 2.11 0.00 81 C 8.99 5.03 0.00 3.06 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 82 F 9.15 5.31 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 83 I 8.97 5.16 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 1.00 0.00 0.00 84 D 8.89 4.82 0.00 2.93 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 85 R 8.51 3.98 0.00 1.96 2.13 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 86 N 8.56 4.64 0.00 2.86 2.89 0.00 0.00 7.07 7.24 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 87 G 8.28 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 0.00 0.00 0.00 88 K 8.02 4.17 0.00 1.84 2.12 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.52 7.81 89 E 8.67 5.40 0.00 2.09 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 2.36 2.36 0.00 90 V 8.93 4.93 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 1.34 0.00 0.00 1.10 0.00 0.00 91 L 9.13 5.02 0.00 1.71 1.68 -0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.07 5.09 0.00 2.02 1.95 0.00 1.96 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.78 1.81 7.81 93 T 9.25 5.37 4.74 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 1.65 0.00 0.00 94 M 9.16 5.50 0.00 1.83 1.92 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 2.54 2.49 0.00 95 W 8.54 5.48 0.00 2.67 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 0.00 0.00 0.00 0.00 96 L 8.86 5.33 0.00 1.60 1.60 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.38 4.95 0.00 1.68 1.79 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.07 4.88 0.00 1.94 1.91 0.00 3.36 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 99 S 8.84 4.79 0.00 3.70 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 0.00 100 S 8.42 4.49 0.00 3.85 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 0.00 101 V 8.16 4.43 2.06 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 0.70 0.00 0.00 1.02 0.00 0.00 102 N 8.50 4.48 0.00 2.68 2.90 0.00 0.00 6.73 8.06 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 0.00 103 D 7.76 4.68 0.00 2.92 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 0.00 104 I 8.33 3.85 1.90 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 1.73 1.36 0.93 0.00 0.00 105 S 8.22 4.23 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.86 4.57 0.00 3.13 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 0.00 107 D 8.12 4.39 0.00 2.89 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 0.00 108 W 8.40 4.32 0.00 3.62 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 0.00 109 K 6.57 3.75 0.00 1.06 0.74 0.00 1.24 0.00 0.00 1.23 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.76 0.90 7.81 110 A 7.74 4.27 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 0.00 111 T 7.57 5.05 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 0.00 112 R 9.13 4.82 0.00 1.96 2.05 0.00 3.11 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 113 V 7.70 4.44 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 0.57 0.00 0.00 0.74 0.00 0.00 114 G 6.19 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 0.00 0.00 0.00 115 Y 8.21 5.50 0.00 3.06 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 0.00 116 N 9.51 5.23 0.00 3.21 2.52 0.00 0.00 7.24 6.54 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 0.00 117 N 9.46 5.78 0.00 2.79 2.89 0.00 0.00 6.71 7.50 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 0.00 118 F 9.66 5.67 0.00 2.77 3.11 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 0.00 119 T 9.08 5.49 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 1.39 0.00 0.00 120 R 8.43 3.74 0.00 1.52 1.48 0.00 2.88 0.00 0.00 2.65 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.68 0.00 121 L 8.34 3.99 0.00 1.52 1.57 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.69 4.28 0.00 3.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00