NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4115 8.2893 120.3486 55.3675 33.1414 174.7353 2 N 4.6607 8.5887 123.9912 51.4624 38.9307 172.9832 3 I 4.6061 8.7949 121.0772 59.5855 41.9365 176.2827 4 I 4.3930 8.3301 123.7880 59.5942 38.6942 175.1390 5 K 4.4498 8.6234 124.7656 54.3939 34.1567 176.2084 6 A 4.5601 8.3944 126.4064 50.8043 20.7266 174.9996 7 N 5.0656 8.1693 116.7193 51.9199 41.5344 175.5939 8 V 3.8589 8.1893 114.3033 62.7944 32.2619 176.8200 9 A 4.2580 8.0127 123.6654 52.0792 18.5756 178.0408 10 A 4.6287 8.3575 123.7145 51.1562 21.3039 173.9991 11 P 4.6998 0.0000 0.0000 65.0414 32.1189 178.8082 12 D 4.7499 8.0628 115.5863 54.2634 40.5427 175.8290 13 A 4.6221 7.6115 124.7124 51.8908 20.1791 178.2977 14 R 4.8276 9.5534 120.5215 55.1196 32.7397 175.9466 15 V 4.9603 8.9714 124.3581 59.9885 35.0060 173.9780 16 A 4.9333 8.4820 127.8117 50.0221 21.7445 175.0930 17 I 4.8296 8.5878 123.4029 59.5324 39.7173 174.6581 18 T 4.8255 8.6045 117.6860 59.9836 70.7787 173.4422 19 I 5.2459 8.2824 126.3695 58.2135 40.6564 174.4451 20 A 5.0995 8.4321 127.6971 51.2572 19.2883 177.8886 21 R 4.4791 9.2765 119.2348 58.3411 30.3281 176.9728 22 F 4.5844 8.2735 121.3122 59.9852 39.6829 174.3183 23 N 4.6461 9.8382 123.8873 54.5817 35.5698 176.1465 24 Q 4.1752 8.3297 120.4319 59.4397 28.0666 177.8392 25 F 3.8119 8.4885 121.5175 61.1600 39.4106 176.3960 26 I 4.2201 8.2100 118.4751 63.6848 37.3458 177.7381 27 N 4.3605 8.2788 116.6658 56.3441 38.2885 176.8979 28 D 4.5359 8.8250 120.9564 57.6556 40.9973 178.8728 29 S 4.0754 7.9668 112.9583 61.0332 62.3977 175.4454 30 L 4.0562 7.7880 123.2501 58.5399 41.6520 178.4266 31 L 3.8564 8.3933 120.4915 57.7513 42.0301 178.4507 32 D 4.5086 8.4250 118.6827 57.4427 40.8731 179.6837 33 G 3.6301 8.1936 105.6291 47.8248 0.0000 175.2778 34 A 3.9379 7.8210 123.3128 54.6871 18.4836 179.2893 35 V 3.4396 7.9010 116.6550 66.3380 31.5639 177.3458 36 D 4.3190 8.1358 117.1015 57.6735 40.9276 177.8330 37 A 3.9478 8.2011 121.0070 55.7791 18.3918 179.0153 38 L 3.8751 8.5658 116.6649 59.2559 41.8249 179.8163 39 T 4.2008 8.2705 110.8445 64.1286 68.5795 176.2619 40 R 3.8591 8.2276 123.7297 58.2515 30.6837 177.9806 41 I 4.0863 8.0748 117.1729 63.4254 37.8409 177.1133 42 G 3.7302 7.9456 106.5166 45.1996 0.0000 174.0250 43 Q 3.7729 8.2709 119.9468 56.4363 28.1813 172.8380 44 V 3.8327 7.4961 116.8736 62.1487 32.1231 175.2063 45 K 4.2079 8.5757 128.8772 56.2807 32.5833 176.6002 46 D 4.7003 8.8032 124.3524 53.9870 39.1153 176.1866 47 D 4.8099 7.9947 117.0670 53.7499 40.1137 176.2829 48 N 4.7180 8.4335 117.7470 53.6563 39.3603 174.1014 49 I 4.8579 7.5940 120.2588 60.2844 38.3613 175.1953 50 T 4.7189 8.8357 117.3456 59.7036 71.8966 173.0110 51 V 4.6186 8.4117 123.6272 61.0481 34.1916 174.5034 52 V 4.3208 9.0447 128.9297 60.8123 33.7369 174.4310 53 W 4.9003 8.9912 129.0044 56.4963 29.6279 176.4362 54 V 4.3921 8.7638 119.1920 58.9736 33.7808 174.6007 55 P 4.3283 0.0000 0.0000 65.0636 31.2684 177.1580 56 G 4.5362 7.9619 108.2868 42.8491 0.0000 174.1028 57 A 4.0336 8.4851 120.5423 54.9068 18.0640 179.2293 58 Y 4.2112 8.1719 117.0540 60.6761 39.1198 177.4471 59 E 4.1306 8.2302 119.0354 58.1099 29.6306 178.7204 60 L 3.8562 7.5709 119.6701 58.0521 41.5933 177.0394 61 P 4.1709 0.0000 0.0000 64.8661 31.0882 178.0067 62 L 3.8760 7.6886 117.9291 58.4675 42.1969 179.3368 63 A 3.9765 7.7710 120.0510 55.5941 18.3352 179.8153 64 T 3.8546 8.1825 108.4247 64.4578 68.7555 176.2801 65 E 3.8410 8.9851 122.9017 59.1898 29.5750 178.2659 66 A 4.0093 8.0618 120.6744 55.6336 18.1868 179.6115 67 L 4.0737 7.5471 114.9271 57.8813 41.9064 179.5038 68 A 4.2245 8.2778 120.7697 55.1588 18.2368 179.7894 69 K 3.8842 8.1572 116.1148 59.6476 32.1502 178.8401 70 S 4.2006 8.1547 113.0338 59.6343 60.8972 175.8926 71 G 3.9378 8.5901 110.2937 46.2424 0.0000 176.0404 72 K 3.9774 7.7405 120.5521 56.3085 31.8819 182.1342 73 Y 5.1202 6.9310 112.6256 56.7879 40.5335 175.4550 74 D 4.7374 9.1837 121.8559 55.9465 41.8882 176.5166 75 A 4.5513 7.3621 117.2727 51.2045 22.5013 175.0966 76 V 4.7448 8.1970 120.0471 61.0274 34.6523 174.4606 77 V 4.3994 8.7871 128.1720 61.3969 33.4661 174.1180 78 A 4.9241 8.5445 130.2290 49.7002 20.8163 175.2347 79 L 5.2983 7.9935 123.1257 52.5815 44.5745 176.3644 80 G 4.1818 7.7013 108.4035 45.9813 0.0000 171.8441 81 T 5.1256 8.5371 116.0350 61.5065 72.1011 174.3309 82 V 4.2261 9.1747 125.0424 61.3880 34.1943 173.8868 83 I 4.8382 8.2036 128.7365 59.4687 38.7897 175.9821 84 R 3.6386 8.4543 127.6985 56.6023 30.3045 176.3452 85 G 4.4277 8.3263 116.0145 44.2449 0.0000 172.9234 86 G 3.6363 8.7833 107.6275 47.4903 0.0000 173.2567 87 T 4.5303 7.6001 108.3697 59.7228 71.5113 173.4906 88 A 4.4833 8.3663 121.2655 52.7239 18.9307 178.6417 89 H 4.2923 8.2929 120.2188 60.2759 29.6180 176.9305 90 F 4.0614 8.4876 121.9503 61.5083 38.9739 176.6283 91 E 3.6362 8.0324 118.5413 59.5113 29.3879 178.4058 92 Y 4.3210 7.4044 115.9177 60.7868 38.2236 177.5064 93 V 3.6993 7.6614 119.2027 65.7013 31.5959 177.7092 94 A 4.0797 7.7456 120.7089 55.2344 18.0659 179.7682 95 G 3.5964 8.0869 104.5327 47.8357 0.0000 176.1318 96 G 3.8394 8.6051 108.3422 45.8640 0.0000 174.8605 97 A 4.2527 7.8598 122.7330 54.4059 19.6210 179.1247 98 S 4.1610 8.2510 111.8325 61.8635 62.3355 176.2600 99 N 4.4364 8.5449 119.4145 55.9735 38.3223 177.3853 100 G 3.7157 7.7285 106.6109 48.0730 0.0000 175.4456 101 L 3.9789 8.0446 121.6620 57.2601 41.7903 179.6387 102 A 3.9886 8.0036 120.5637 55.0483 18.2518 179.6211 103 S 3.9535 8.3540 111.8644 61.5141 62.4635 176.1682 104 V 3.5492 7.6912 120.7554 66.2168 31.0896 177.6262 105 A 4.3704 7.8341 121.3392 54.8012 17.9992 179.4164 106 Q 3.8846 7.6115 116.0872 59.2737 29.1488 177.8559 107 D 4.5227 8.0626 119.3618 57.0625 41.2202 178.4909 108 S 4.3505 8.3404 112.9857 58.6772 63.4611 175.5513 109 G 3.8811 8.1288 109.5014 45.7632 0.0000 173.6981 110 V 3.9645 7.5498 121.1296 61.6281 32.9884 173.6569 111 P 4.5730 0.0000 0.0000 62.6416 32.5798 175.2197 112 V 4.9379 8.3541 122.9592 61.0439 34.2751 174.1876 113 A 4.4874 8.8270 130.0859 50.8303 20.5687 176.2054 114 F 4.8131 9.0052 126.6939 56.1777 38.4452 175.8844 115 G 3.9804 8.0721 117.9799 44.9306 0.0000 170.7872 116 V 4.6331 6.1525 117.5358 60.6232 33.9696 176.0022 117 L 4.3006 8.8495 129.4060 55.0348 42.8256 176.5648 118 T 5.5232 8.7237 112.6410 58.8185 68.8582 172.5723 119 T 4.5948 8.1500 120.9198 61.0103 72.0897 175.1036 120 E 4.0983 9.9740 121.2199 57.4514 30.4291 177.3161 121 S 4.7022 7.5922 111.8963 55.5572 67.6178 174.7647 122 I 3.6757 8.2524 123.2352 64.3650 36.5980 177.9489 123 E 3.9279 8.1972 118.8753 59.7914 29.7478 178.6838 124 Q 4.2838 8.0969 117.4326 58.7564 28.7520 178.5212 125 A 4.0167 7.8255 121.6567 55.4370 18.2746 179.7449 126 I 3.7675 7.9031 118.1314 64.6468 37.1139 178.5415 127 E 4.5516 8.0753 120.2693 58.0400 29.3018 178.3733 128 R 4.5312 8.0171 115.8311 55.6617 30.5470 176.6914 129 A 4.8132 7.2420 121.8430 52.6441 19.5391 177.1113 130 G 4.4608 8.1240 107.8518 48.1219 0.0000 175.4290 131 T 4.6284 7.5015 115.3197 60.1205 68.7618 175.6768 132 K 3.7874 9.2486 117.1416 59.3431 31.7503 178.0044 133 A 4.5717 7.8185 119.3521 52.0705 20.0112 178.8893 134 G 3.7431 8.1291 110.6132 47.3249 0.0000 173.9520 135 N 5.2650 8.2389 117.7162 50.9019 40.9442 175.4868 136 K 3.9750 8.9224 128.9191 59.2857 32.0791 178.8503 137 G 4.0996 8.2689 107.6136 47.3650 0.0000 175.5447 138 A 4.0379 7.8715 123.1786 54.2509 18.4826 179.2629 139 E 3.8750 8.4028 118.0722 59.3077 29.7619 178.8464 140 A 4.0488 8.5703 122.4436 54.4123 18.4391 179.3182 141 A 3.9166 8.1620 119.4599 55.3349 18.3745 179.8822 142 L 3.9011 7.9416 117.5180 58.2660 41.3008 179.8855 143 T 3.8398 8.0695 109.3633 64.6686 68.4068 176.0712 144 A 3.9828 7.9992 123.6002 55.0463 18.5070 179.1900 145 L 3.8714 7.8196 116.9598 58.1740 41.8260 179.3045 146 E 4.1948 8.3689 120.4555 59.0538 29.4293 178.8887 147 M 4.0591 8.0749 118.3798 58.3792 31.9607 178.4840 148 I 3.6910 7.6523 119.9210 64.7988 37.3411 178.2366 149 N 4.3237 8.0075 116.4337 56.1171 38.1588 177.4612 150 V 3.5926 7.9606 119.1093 66.3587 31.7768 177.7870 151 L 4.0662 8.4501 118.8282 57.6458 41.3219 179.3112 152 K 3.9074 8.1433 119.1318 59.4790 32.1860 176.9140 153 A 4.4917 7.8469 120.0265 51.7834 19.4721 177.2298 154 I 3.8829 7.8105 120.8828 63.1961 37.7364 173.9673 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.66 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.79 4.61 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.39 1.87 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 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.45 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.56 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 7 N 8.17 5.07 0.00 2.73 2.64 0.00 0.00 6.87 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 8 V 8.19 3.86 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.01 4.26 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 10 A 8.36 4.63 1.21 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 0.00 0.00 11 P 0.00 4.70 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.06 4.75 0.00 2.69 2.72 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 13 A 7.61 4.62 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 14 R 9.55 4.83 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.97 4.96 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.48 4.93 0.30 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 17 I 8.59 4.83 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.69 0.00 0.00 18 T 8.60 4.83 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 1.09 0.00 0.00 19 I 8.28 5.25 0.72 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.01 0.28 0.00 0.00 20 A 8.43 5.10 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 21 R 9.28 4.48 0.00 2.11 2.53 0.00 2.88 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.27 4.58 0.00 3.14 2.99 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 23 N 9.84 4.65 0.00 2.98 2.99 0.00 0.00 6.88 8.01 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 24 Q 8.33 4.18 0.00 2.53 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.81 0.00 3.13 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 26 I 8.21 4.22 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 0.95 0.00 0.00 27 N 8.28 4.36 0.00 2.87 2.92 0.00 0.00 7.08 8.08 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 28 D 8.83 4.54 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 29 S 7.97 4.08 0.00 3.81 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 30 L 7.79 4.06 0.00 1.93 1.63 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.39 3.86 0.00 1.77 1.81 0.78 1.11 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 32 D 8.42 4.51 0.00 2.87 2.72 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 33 G 8.19 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 34 A 7.82 3.94 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 35 V 7.90 3.44 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 0.98 0.00 0.00 0.96 0.00 0.00 36 D 8.14 4.32 0.00 2.83 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 37 A 8.20 3.95 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 38 L 8.57 3.88 0.00 1.85 1.72 0.89 0.64 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 39 T 8.27 4.20 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 1.28 0.00 0.00 40 R 8.23 3.86 0.00 1.80 2.25 0.00 3.24 0.00 0.00 3.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.07 4.09 2.06 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 1.23 0.97 0.91 0.00 0.00 42 G 7.95 3.73 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 0.00 0.00 0.00 43 Q 8.27 3.77 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.50 3.83 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 0.88 0.00 0.00 1.05 0.00 0.00 45 K 8.58 4.21 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.70 0.00 2.83 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 D 7.99 4.81 0.00 2.78 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 48 N 8.43 4.72 0.00 2.90 2.99 0.00 0.00 6.92 6.87 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 49 I 7.59 4.86 1.88 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 1.40 0.52 0.89 0.00 0.00 50 T 8.84 4.72 4.32 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 1.53 0.00 0.00 51 V 8.41 4.62 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 0.51 0.00 0.00 0.84 0.00 0.00 52 V 9.04 4.32 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.90 0.00 3.21 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 54 V 8.76 4.39 2.14 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 0.81 0.00 0.00 1.09 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.96 4.54 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 57 A 8.49 4.03 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 58 Y 8.17 4.21 0.00 2.91 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 59 E 8.23 4.13 0.00 2.03 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 2.62 2.58 0.00 60 L 7.57 3.86 0.00 1.79 1.68 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.02 1.85 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 62 L 7.69 3.88 0.00 1.63 1.66 0.92 0.87 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 63 A 7.77 3.98 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 64 T 8.18 3.85 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 1.22 0.00 0.00 65 E 8.99 3.84 0.00 1.99 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 0.00 2.31 2.33 0.00 66 A 8.06 4.01 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 0.00 0.00 67 L 7.55 4.07 0.00 1.71 1.65 0.65 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.28 4.22 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 69 K 8.16 3.88 0.00 1.74 1.91 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.61 7.81 70 S 8.15 4.20 0.00 3.90 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 0.00 71 G 8.59 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 72 K 7.74 3.98 0.00 1.83 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.93 5.12 0.00 2.96 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 74 D 9.18 4.74 0.00 2.55 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 75 A 7.36 4.55 1.19 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 0.00 0.00 0.00 76 V 8.20 4.74 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 0.94 0.00 0.00 0.84 0.00 0.00 77 V 8.79 4.40 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.54 4.92 1.15 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 0.00 0.00 79 L 7.99 5.30 0.00 1.38 1.39 0.80 0.72 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 80 G 7.70 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 81 T 8.54 5.13 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 1.20 0.00 0.00 82 V 9.17 4.23 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.20 4.84 1.85 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 1.24 0.71 0.88 0.00 0.00 84 R 8.45 3.64 0.00 0.67 1.40 0.00 3.08 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.33 4.43 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 0.00 0.00 0.00 86 G 8.78 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 87 T 7.60 4.53 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 1.24 0.00 0.00 88 A 8.37 4.48 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 89 H 8.29 4.29 0.00 3.24 3.41 0.00 5.62 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 90 F 8.49 4.06 0.00 3.11 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 91 E 8.03 3.64 0.00 1.95 1.12 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 2.00 2.17 0.00 92 Y 7.40 4.32 0.00 2.99 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 93 V 7.66 3.70 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 1.05 0.00 0.00 0.77 0.00 0.00 94 A 7.75 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.09 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 96 G 8.61 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 97 A 7.86 4.25 1.49 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 98 S 8.25 4.16 0.00 3.71 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 99 N 8.54 4.44 0.00 2.87 2.83 0.00 0.00 6.94 8.36 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 0.00 100 G 7.73 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 0.00 101 L 8.04 3.98 0.00 1.88 1.82 1.04 0.90 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 0.00 102 A 8.00 3.99 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 0.00 103 S 8.35 3.95 0.00 3.95 4.02 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 0.00 104 V 7.69 3.55 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 1.06 0.00 0.00 0.98 0.00 0.00 105 A 7.83 4.37 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 0.00 106 Q 7.61 3.88 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.06 4.52 0.00 2.70 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 0.00 108 S 8.34 4.35 0.00 4.02 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 0.00 109 G 8.13 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 0.00 0.00 0.00 110 V 7.55 3.96 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 1.00 0.00 0.00 0.99 0.00 0.00 111 P 0.00 4.57 0.00 2.12 1.96 0.00 3.78 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 2.12 2.09 0.00 112 V 8.35 4.94 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 0.81 0.00 0.00 0.99 0.00 0.00 113 A 8.83 4.49 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 0.00 114 F 9.01 4.81 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 0.00 0.00 0.00 116 V 6.15 4.63 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 0.68 0.00 0.00 -0.02 0.00 0.00 117 L 8.85 4.30 0.00 1.60 1.58 0.93 0.25 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 0.00 118 T 8.72 5.52 4.45 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 0.00 0.00 0.00 1.24 0.00 0.00 119 T 8.15 4.59 4.40 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 1.26 0.00 0.00 120 E 9.97 4.10 0.00 1.94 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 2.31 2.30 0.00 121 S 7.59 4.70 0.00 3.95 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 0.00 122 I 8.25 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.86 0.00 0.00 123 E 8.20 3.93 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.10 4.28 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.83 4.02 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 0.00 126 I 7.90 3.77 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.00 0.99 0.00 0.00 127 E 8.08 4.55 0.00 2.28 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 2.34 2.39 0.00 128 R 8.02 4.53 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.24 4.81 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 0.00 130 G 8.12 4.46 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 0.00 0.00 0.00 131 T 7.50 4.63 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 0.00 132 K 9.25 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.82 4.57 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 0.00 134 G 8.13 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 0.00 135 N 8.24 5.26 0.00 2.69 2.65 0.00 0.00 6.93 7.16 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 0.00 136 K 8.92 3.97 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.27 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 0.00 138 A 7.87 4.04 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 0.00 139 E 8.40 3.88 0.00 2.04 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 2.31 2.32 0.00 140 A 8.57 4.05 1.34 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 0.00 0.00 0.00 141 A 8.16 3.92 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 0.00 142 L 7.94 3.90 0.00 2.01 1.72 0.91 0.48 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 0.00 143 T 8.07 3.84 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 1.29 0.00 0.00 144 A 8.00 3.98 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 0.00 0.00 145 L 7.82 3.87 0.00 1.87 1.91 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.37 4.19 0.00 2.01 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 2.31 2.23 0.00 147 M 8.07 4.06 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.86 0.00 148 I 7.65 3.69 2.05 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 1.69 0.78 0.92 0.00 0.00 149 N 8.01 4.32 0.00 2.96 2.86 0.00 0.00 6.71 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 0.00 150 V 7.96 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 0.83 0.00 0.00 1.03 0.00 0.00 151 L 8.45 4.07 0.00 1.93 1.68 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.14 3.91 0.00 1.84 2.08 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 7.85 4.49 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 0.00 154 I 7.81 3.88 1.87 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 1.16 0.74 0.91 0.00 0.00