NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 S 4.4930 8.3349 117.0927 57.2521 64.8885 174.2633 57 S 4.4287 7.6183 120.6829 55.9352 64.8529 171.7321 58 P 4.4065 0.0000 0.0000 65.1234 32.5517 178.9460 59 G 4.4677 7.8555 104.3141 45.1425 0.0000 171.5649 60 I 4.9995 7.7578 121.6175 59.4282 38.9751 175.1481 61 W 5.0793 9.3920 126.7713 54.8237 33.5191 173.9738 62 Q 5.1040 9.3039 124.3191 54.2866 31.1255 173.7881 63 L 5.3448 9.0561 128.5707 53.4746 44.5935 174.5371 64 D 5.0291 9.3068 125.3732 52.6873 45.2564 173.6269 65 C 5.2586 8.6541 116.9657 57.1265 32.2775 172.9691 66 T 4.8133 8.5703 115.5284 62.4536 73.0349 172.4895 67 H 5.3780 8.7418 120.4359 54.2140 32.0156 173.4840 68 L 4.5345 8.8119 121.3736 54.8663 45.9431 175.8106 69 E 3.8318 9.8285 122.0208 57.5802 27.0803 175.4918 70 G 3.9407 8.4766 102.1994 45.9778 0.0000 173.8412 71 K 4.7015 8.1388 118.8684 54.0195 35.4761 175.0393 72 V 4.6731 8.0780 119.6710 60.0401 34.0019 174.4146 73 I 4.8579 8.5434 125.5013 59.3776 40.3411 174.2837 74 L 4.6539 8.6229 127.1023 52.9806 43.6664 175.5351 75 V 4.8752 8.7681 123.8364 60.9744 34.3912 173.7961 76 A 5.4056 9.5769 130.2112 50.2876 21.5861 174.9216 77 V 4.7843 9.2621 123.3182 61.2989 34.5525 174.2473 78 H 3.4112 8.9544 128.8491 55.0356 29.4922 175.6494 79 V 3.3415 7.6427 126.2106 66.0323 31.3568 177.6017 80 A 4.0161 7.4892 120.4701 54.1723 18.4600 178.1082 81 S 4.3676 7.9755 108.8850 57.9391 64.4568 175.4252 82 G 3.9178 8.5195 108.2984 44.6019 0.0000 172.7927 83 Y 4.3927 7.8748 121.8812 57.8000 39.8511 174.8176 84 I 5.1610 8.1133 126.0126 59.5121 40.9098 174.8732 85 E 4.8000 9.2989 123.8800 54.6771 32.8600 174.7268 86 A 5.8652 8.6182 124.8593 50.1285 22.6373 174.6929 87 E 4.8325 8.5816 117.8973 55.1010 34.4959 174.4580 88 V 4.4415 8.4438 122.7072 62.5362 31.6750 175.1680 89 I 4.7714 8.5805 121.1721 58.1669 40.1459 174.9090 90 P 4.3828 0.0000 0.0000 65.7581 31.2952 176.1677 91 A 4.3167 6.8718 118.3179 51.5358 22.6756 176.2293 92 E 4.2259 8.6447 122.8021 55.2266 28.3256 175.9252 93 T 4.7053 7.1702 112.9045 59.3253 73.3783 175.4526 94 G 3.4810 8.3407 107.9939 47.9746 0.0000 175.6673 95 Q 3.9662 7.9789 121.4287 59.0945 29.1547 178.0821 96 E 4.1577 8.0480 119.3812 59.3976 29.5095 179.3730 97 T 3.9447 8.2298 116.0736 66.4199 68.3820 176.6536 98 A 4.0399 8.3940 123.1715 55.1934 18.4052 178.9507 99 Y 3.9974 7.9841 117.7006 60.9372 38.9252 178.1994 100 F 3.8376 8.4900 121.4461 61.2312 39.4395 177.0991 101 L 3.9872 8.3073 118.7085 57.7581 41.3298 179.4556 102 L 4.0388 8.1239 119.2568 57.4341 41.2552 179.5134 103 K 3.6400 7.3500 118.7773 59.2376 32.3937 178.2770 104 L 3.7870 7.3882 120.2730 58.1044 41.7377 178.8573 105 A 4.0634 8.0926 119.8054 54.6163 18.3650 179.0041 106 G 3.7460 7.6431 101.8248 45.8212 0.0000 174.5062 107 R 4.1944 7.5517 118.7650 56.2327 31.7693 176.3270 108 W 5.2092 7.4694 115.1180 54.0600 32.8336 174.0127 109 P 4.5657 0.0000 0.0000 62.3812 29.0164 173.5837 110 V 4.4205 7.9039 124.7206 63.2112 32.3231 175.1455 111 K 4.5936 9.2798 127.0139 57.6909 34.8488 176.6647 112 T 5.3006 7.8634 114.9539 61.7199 73.1917 173.1673 113 I 5.1536 8.7697 118.2939 59.4424 41.2432 173.9175 114 H 5.2884 9.2224 122.0942 54.5841 31.3569 173.2710 115 T 5.1847 8.3706 113.7551 58.7893 72.2284 173.8250 116 D 4.6664 8.7734 119.2964 52.9495 39.8387 175.6687 117 N 3.9980 7.5585 116.0837 54.2941 37.0575 174.9473 118 G 4.1040 8.8305 108.5122 44.6418 0.0000 174.7629 119 S 4.1129 8.9228 112.8136 61.6335 62.6375 175.7299 120 N 4.3924 7.9860 114.1644 53.0512 36.6720 174.9759 121 F 4.9211 8.2134 115.2060 57.6859 40.3928 175.6755 122 T 4.3752 7.9919 110.8979 62.0490 69.6453 175.6004 123 G 3.8263 7.7658 111.5213 44.7915 0.0000 174.5922 124 A 3.9796 8.4998 122.6758 54.7586 18.3250 180.0553 125 T 3.7871 7.9686 114.4470 67.2303 68.4759 176.5155 126 V 3.6853 7.7009 119.2460 65.8969 31.6048 177.9837 127 R 3.9365 7.7341 118.0031 59.4476 29.8745 178.4342 128 A 4.0367 8.7768 120.7062 54.9155 18.3268 179.5606 129 A 4.0050 8.0690 119.4238 55.6115 18.5448 179.6748 130 C 4.1859 8.5180 115.6741 62.8721 28.2754 175.7013 131 D 4.3259 8.4320 119.8167 57.3129 40.6419 178.0742 132 W 4.1235 8.4296 127.3834 60.3387 30.8236 177.0043 133 A 4.1802 8.4167 117.7805 51.7268 18.4437 177.4104 134 G 3.7367 7.7828 104.9891 46.3300 0.0000 173.3561 135 I 4.6295 8.1519 120.2902 59.3739 38.9176 175.5656 136 K 4.6276 8.9428 126.1583 54.9081 34.5884 175.2502 137 Q 4.8747 8.6440 123.1893 54.8296 30.0517 174.5280 138 E 4.4213 8.3597 129.8345 56.1034 32.0679 175.0441 139 D 3.7099 8.7427 111.3887 52.7181 40.8759 173.6309 140 G 4.2138 8.2097 108.2685 46.4153 0.0000 173.3680 141 I 3.6004 7.9030 117.2063 59.8602 35.7475 175.4352 *151 V 4.0851 7.7861 108.0772 63.1031 32.5798 175.9810 152 E 4.0562 8.5288 118.0474 59.8737 29.2725 178.9178 153 S 4.1607 7.9934 113.0347 61.3771 62.2865 175.9044 154 M 4.1224 7.9032 120.4246 58.4791 32.0799 177.7865 155 N 4.3827 7.9975 116.6946 55.7182 38.4948 176.9764 156 K 3.8283 8.1574 120.5573 60.0106 32.2545 178.4374 157 E 3.9823 7.7675 117.9176 59.3654 29.3254 178.8453 158 L 3.9347 8.0409 120.4745 58.5029 42.0922 179.3333 159 K 3.9574 8.0375 117.5388 59.2027 31.9792 179.1759 160 K 3.9651 7.7378 119.8615 59.5813 32.1161 179.0430 161 I 3.7473 8.0399 120.3328 64.4402 37.0358 178.3802 162 I 3.8411 8.1847 121.1336 64.4962 36.7020 178.7531 163 G 3.6581 7.9264 105.5016 47.6460 0.0000 175.4775 164 Q 4.2411 7.9059 119.0122 57.5296 29.1133 177.0600 165 V 4.5875 7.3695 110.1621 59.5082 33.7780 177.1636 166 R 3.8726 8.1892 121.5462 59.5181 29.9759 177.9400 167 D 4.3807 8.0548 115.6854 57.2091 41.0706 176.9875 168 Q 4.1042 8.3437 117.1643 57.0168 29.0601 175.2343 169 A 4.8167 7.3105 120.8211 49.9073 21.2660 176.0740 170 E 3.9771 8.9668 123.9047 59.1008 30.3799 176.5471 171 H 4.9927 7.7160 115.3743 53.6286 31.1904 175.2658 172 L 3.9793 8.7184 124.7911 58.3480 41.6851 179.3415 173 K 3.8672 8.2202 118.0800 60.7302 32.1455 178.9950 174 T 3.8938 7.9467 115.9187 66.2743 68.3052 176.6434 175 A 4.0237 7.9009 122.2926 55.0291 18.3438 179.6672 176 V 3.5478 8.0690 116.9874 66.4049 31.6618 178.4041 177 Q 4.0626 8.0064 117.5519 59.0620 28.5041 178.5409 178 M 4.0676 8.2850 119.7118 58.3359 31.9174 178.6437 179 A 4.0620 8.2770 121.1733 55.1422 18.5156 179.8157 180 V 3.5301 8.1855 117.0981 65.9614 31.6383 178.0172 181 F 4.0759 8.4391 120.3365 61.3894 39.1798 177.0639 182 I 3.8362 8.1842 119.3901 64.7443 36.7416 177.8387 183 H 4.0822 8.2286 117.6430 59.5456 30.0830 176.8770 184 N 4.5169 8.4628 117.7449 55.3330 38.1722 176.6992 185 K 4.2632 7.4970 117.8125 55.3006 32.9666 176.8643 186 K 3.8986 7.2230 122.5720 56.4326 32.5143 175.9119 187 R 4.3745 8.4814 125.7698 55.3072 30.6509 175.1355 188 K 3.3678 7.9762 120.4921 60.1042 32.6808 176.5599 189 G 4.0727 7.8611 107.5242 45.0408 0.0000 171.2666 190 G 3.6159 8.8252 108.7565 46.0873 0.0000 169.1991 191 I 2.9496 9.0580 130.7535 61.7836 37.2810 175.6700 192 G 3.8482 8.9203 113.0845 46.2029 0.0000 173.9616 193 G 3.9322 7.8427 106.2619 46.5384 0.0000 172.6183 194 Y 5.1527 8.5877 116.9498 55.9576 41.7453 175.6094 195 S 5.6212 9.2905 116.6732 56.5790 65.2299 175.1176 196 A 4.0884 8.7313 122.5289 55.1996 18.0269 180.2504 197 G 3.7266 8.2825 104.2832 48.2594 0.0000 175.8609 198 E 4.1816 8.2383 121.3206 58.9678 29.4894 179.6590 199 R 3.8447 8.3534 118.5450 59.1734 30.1399 178.9062 200 I 3.3739 7.7552 118.4620 64.0424 37.7625 178.4082 201 V 3.7654 7.3337 111.8448 64.5733 31.4805 178.3184 202 D 4.3544 8.1409 118.6836 57.2859 40.3632 178.9838 203 I 3.6733 7.7857 120.3138 64.5732 37.2985 178.6501 204 I 3.8105 7.8845 120.2789 63.8966 36.6536 178.4323 205 A 4.0331 8.1145 121.9129 55.3566 18.3619 179.5179 206 T 4.5107 7.5502 107.4493 63.7861 69.0081 175.9860 207 D 4.4610 7.7662 121.1443 56.8498 41.0611 177.8264 208 I 3.8476 7.5017 119.6973 63.4196 37.3937 175.7916 209 Q 4.1906 7.8305 121.0024 56.1304 28.6087 175.0165 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 56 S 8.33 4.49 0.00 3.65 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.43 0.00 3.69 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 58 P 0.00 4.41 0.00 2.06 2.28 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 59 G 7.86 4.47 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 0.00 60 I 7.76 5.00 1.76 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 1.34 0.80 0.85 0.00 0.00 61 W 9.39 5.08 0.00 3.23 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 62 Q 9.30 5.10 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 63 L 9.06 5.34 0.00 1.93 1.60 1.10 1.31 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 64 D 9.31 5.03 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.65 5.26 0.00 2.92 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 66 T 8.57 4.81 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 1.21 0.00 0.00 67 H 8.74 5.38 0.00 2.99 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.81 4.53 0.00 1.68 1.51 0.93 0.96 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 69 E 9.83 3.83 0.00 2.08 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 2.23 2.29 0.00 70 G 8.48 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 71 K 8.14 4.70 0.00 1.90 1.67 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.54 7.81 72 V 8.08 4.67 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 0.89 0.00 0.00 0.85 0.00 0.00 73 I 8.54 4.86 1.81 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 1.21 0.84 0.92 0.00 0.00 74 L 8.62 4.65 0.00 0.85 0.13 0.74 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.77 4.88 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 76 A 9.58 5.41 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 0.00 0.00 0.00 0.00 0.00 77 V 9.26 4.78 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 1.02 0.00 0.00 0.96 0.00 0.00 78 H 8.95 3.41 0.00 1.40 2.57 0.00 5.68 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.64 3.34 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 0.71 0.00 0.00 0.87 0.00 0.00 80 A 7.49 4.02 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 0.00 0.00 0.00 0.00 0.00 81 S 7.98 4.37 0.00 3.89 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 82 G 8.52 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 83 Y 7.87 4.39 0.00 3.03 2.48 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 0.00 0.00 0.00 0.00 84 I 8.11 5.16 1.65 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.88 0.00 0.00 85 E 9.30 4.80 0.00 2.01 1.87 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 2.42 2.80 0.00 86 A 8.62 5.87 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 87 E 8.58 4.83 0.00 2.33 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 2.44 2.47 0.00 88 V 8.44 4.44 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 0.84 0.00 0.00 0.94 0.00 0.00 89 I 8.58 4.77 1.90 0.00 0.00 0.78 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 0.76 0.98 0.00 0.00 90 P 0.00 4.38 0.00 2.16 2.19 0.00 3.86 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 1.98 1.91 0.00 91 A 6.87 4.32 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 92 E 8.64 4.23 0.00 1.93 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 2.20 2.21 0.00 93 T 7.17 4.71 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 94 G 8.34 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.98 3.97 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 96 E 8.05 4.16 0.00 2.07 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 2.29 2.54 0.00 97 T 8.23 3.94 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 1.07 0.00 0.00 98 A 8.39 4.04 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 99 Y 7.98 4.00 0.00 3.11 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 0.00 100 F 8.49 3.84 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 0.00 101 L 8.31 3.99 0.00 1.96 1.75 1.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.12 4.04 0.00 1.67 1.62 0.75 0.90 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 0.00 103 K 7.35 3.64 0.00 1.24 1.44 0.00 1.68 0.00 0.00 1.19 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.17 1.21 7.81 104 L 7.39 3.79 0.00 1.32 1.46 0.35 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.09 4.06 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 0.00 106 G 7.64 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 0.00 107 R 7.55 4.19 0.00 1.80 1.59 0.00 3.14 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 108 W 7.47 5.21 0.00 3.19 3.33 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 0.00 109 P 0.00 4.57 0.00 2.33 2.30 0.00 4.21 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.11 0.00 110 V 7.90 4.42 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 0.80 0.00 0.00 0.55 0.00 0.00 111 K 9.28 4.59 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.46 7.81 112 T 7.86 5.30 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 1.20 0.00 0.00 113 I 8.77 5.15 1.94 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 1.40 0.85 0.99 0.00 0.00 114 H 9.22 5.29 0.00 3.10 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.37 5.18 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 0.97 0.00 0.00 116 D 8.77 4.67 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.56 4.00 0.00 2.84 2.90 0.00 0.00 6.89 7.67 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 0.00 118 G 8.83 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 0.00 119 S 8.92 4.11 0.00 4.01 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 0.00 120 N 7.99 4.39 0.00 2.50 2.94 0.00 0.00 5.80 7.43 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 0.00 121 F 8.21 4.92 0.00 3.25 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 0.00 122 T 7.99 4.38 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 1.28 0.00 0.00 123 G 7.77 3.83 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 0.00 0.00 0.00 124 A 8.50 3.98 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 0.00 125 T 7.97 3.79 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 1.25 0.00 0.00 126 V 7.70 3.69 2.18 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 1.38 0.00 0.00 0.97 0.00 0.00 127 R 7.73 3.94 0.00 2.07 2.08 0.00 3.36 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 128 A 8.78 4.04 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 0.00 129 A 8.07 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.52 4.19 0.00 3.18 3.30 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 0.00 131 D 8.43 4.33 0.00 2.90 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 0.00 132 W 8.43 4.12 0.00 3.40 3.45 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 0.00 133 A 8.42 4.18 1.51 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 0.00 0.00 134 G 7.78 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 I 8.15 4.63 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.96 0.00 0.00 136 K 8.94 4.63 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 137 Q 8.64 4.87 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 138 E 8.36 4.42 0.00 2.02 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 2.25 2.26 0.00 139 D 8.74 3.71 0.00 2.74 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 0.00 140 G 8.21 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 0.00 0.00 0.00 0.00 141 I 7.90 3.60 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 0.73 0.91 0.00 0.00 *151 V 7.79 4.09 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 0.70 0.00 0.00 0.98 0.00 0.00 152 E 8.53 4.06 0.00 2.01 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 2.40 2.36 0.00 153 S 7.99 4.16 0.00 3.89 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 0.00 154 M 7.90 4.12 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 155 N 8.00 4.38 0.00 2.91 2.82 0.00 0.00 6.60 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 0.00 156 K 8.16 3.83 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 157 E 7.77 3.98 0.00 2.44 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 0.00 2.36 2.48 0.00 158 L 8.04 3.93 0.00 1.71 1.81 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.04 3.96 0.00 1.96 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.50 7.81 160 K 7.74 3.97 0.00 1.82 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 I 8.04 3.75 1.91 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 1.56 1.35 0.96 0.00 0.00 162 I 8.18 3.84 2.09 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 1.48 1.16 0.92 0.00 0.00 163 G 7.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 7.91 4.24 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 165 V 7.37 4.59 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 0.96 0.00 0.00 1.02 0.00 0.00 166 R 8.19 3.87 0.00 2.10 1.96 0.00 3.15 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 167 D 8.05 4.38 0.00 2.65 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 0.00 168 Q 8.34 4.10 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 169 A 7.31 4.82 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.97 3.98 0.00 1.87 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 2.01 2.23 0.00 171 H 7.72 4.99 0.00 3.22 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.72 3.98 0.00 1.77 1.70 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.22 3.87 0.00 2.05 2.10 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.59 7.81 174 T 7.95 3.89 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 1.21 0.00 0.00 175 A 7.90 4.02 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 0.00 176 V 8.07 3.55 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 1.15 0.00 0.00 1.00 0.00 0.00 177 Q 8.01 4.06 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 178 M 8.29 4.07 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.49 0.00 179 A 8.28 4.06 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 0.00 180 V 8.19 3.53 2.29 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 1.09 0.00 0.00 0.98 0.00 0.00 181 F 8.44 4.08 0.00 3.25 3.21 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 0.00 182 I 8.18 3.84 2.12 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 1.60 0.94 0.98 0.00 0.00 183 H 8.23 4.08 0.00 3.16 3.45 0.00 5.75 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 0.00 184 N 8.46 4.52 0.00 2.72 2.92 0.00 0.00 7.05 6.92 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 0.00 185 K 7.50 4.26 0.00 1.55 1.65 0.00 1.48 0.00 0.00 1.44 0.00 0.00 2.50 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.90 0.29 7.81 186 K 7.22 3.90 0.00 1.89 1.73 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.44 7.81 187 R 8.48 4.37 0.00 1.82 1.82 0.00 3.39 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 188 K 7.98 3.37 0.00 2.03 1.70 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.52 7.81 189 G 7.86 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 0.00 0.00 0.00 190 G 8.83 3.62 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 0.00 0.00 0.00 191 I 9.06 2.95 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 1.32 0.55 0.88 0.00 0.00 192 G 8.92 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 0.00 0.00 0.00 193 G 7.84 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 0.00 194 Y 8.59 5.15 0.00 2.90 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 9.29 5.62 0.00 4.10 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 0.00 196 A 8.73 4.09 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 0.00 197 G 8.28 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 0.00 198 E 8.24 4.18 0.00 2.33 2.17 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 2.38 2.39 0.00 199 R 8.35 3.84 0.00 1.94 1.90 0.00 3.04 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 200 I 7.76 3.37 1.26 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 0.61 0.42 0.06 0.00 0.00 201 V 7.33 3.77 2.16 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 1.01 0.00 0.00 1.08 0.00 0.00 202 D 8.14 4.35 0.00 2.65 2.67 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 0.00 203 I 7.79 3.67 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.88 0.00 0.00 204 I 7.88 3.81 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.05 1.01 0.00 0.00 205 A 8.11 4.03 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 0.00 206 T 7.55 4.51 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 1.27 0.00 0.00 207 D 7.77 4.46 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 7.50 3.85 1.99 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 1.59 0.99 0.91 0.00 0.00 209 Q 7.83 4.19 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.