NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.3747 0.0000 0.0000 62.1782 32.7791 177.7377 7 K 3.8435 8.1763 119.3012 56.4051 31.9895 176.4813 8 Y 3.8343 7.0297 112.2767 59.4836 39.6027 176.8427 *10 Q 4.2025 8.0602 120.8373 56.1666 30.9838 177.0383 11 I 3.6680 7.8888 117.5468 64.0160 37.9398 177.9366 12 I 3.4753 7.6412 120.7257 64.4176 36.7482 178.1779 13 D 4.3124 7.9872 119.0510 57.2280 40.6036 178.5459 14 A 4.5857 8.2386 122.4593 54.5027 18.3152 179.4839 15 A 3.8407 8.1906 119.6983 55.2045 18.3814 179.9268 16 V 3.4254 7.7136 116.7571 66.1296 31.6437 178.2151 17 E 3.8894 7.7804 118.1868 59.4761 29.2119 179.5856 18 V 3.5848 8.0123 118.5424 66.0488 31.6356 178.1064 19 I 3.7305 8.3835 119.8132 64.3603 36.6923 178.3225 20 A 4.0142 7.8563 120.8383 54.8006 18.2048 179.0594 21 E 3.9832 7.7859 116.7210 59.2744 29.9389 178.0558 22 N 4.8193 7.7893 113.3831 51.5733 40.7571 175.7240 23 G 4.1059 7.7505 107.7806 44.8625 0.0000 174.0191 24 Y 4.0891 9.4022 122.6429 60.8491 39.1139 178.1254 25 H 3.9249 8.5163 117.5477 59.3763 29.8777 176.1700 26 Q 4.0598 7.9484 116.2374 57.9360 28.9975 176.8820 27 S 4.1363 7.4923 112.2298 58.6958 63.5164 173.6939 28 Q 4.6159 8.2172 121.0792 53.6804 31.5052 176.8609 29 V 3.5886 8.4366 121.3878 66.0677 31.5039 178.4909 30 S 4.2442 8.0097 113.6693 61.4235 62.7549 176.3426 31 K 3.9722 7.9464 122.7724 58.9648 31.8720 178.9924 32 I 3.6163 7.5514 119.5879 64.1789 37.0442 177.7830 33 A 3.9086 7.9838 121.4790 55.1710 18.1559 179.3713 34 K 3.7813 8.0134 116.5164 60.1966 32.0546 179.5109 35 Q 3.6856 8.1494 116.3346 58.6834 28.7063 178.1817 36 A 4.2778 8.3201 120.0195 51.7009 18.8897 177.3529 37 G 3.7922 8.8466 108.3865 47.3358 0.0000 174.7316 38 V 4.4560 7.8020 115.0482 57.9364 35.0645 177.7848 39 A 4.4049 8.1465 121.9597 52.3390 18.9074 178.5136 40 D 4.3967 8.7200 118.9470 57.3262 41.2474 178.7697 41 G 3.9096 8.1186 105.1821 47.5776 0.0000 175.7053 42 T 3.9981 7.6494 117.0411 66.6162 68.3158 176.5608 43 I 3.8590 7.4281 120.7203 64.6565 36.9673 177.6080 44 Y 5.3615 7.0730 115.2660 59.1725 37.7580 177.5911 45 L 4.0359 7.9083 120.2875 56.7861 41.7445 177.1288 46 Y 4.4486 7.8692 114.0782 57.5829 40.5347 175.7024 47 F 5.1896 8.3887 120.1505 55.9178 42.3561 177.0275 48 K 4.2144 9.9171 126.7667 57.5606 32.1072 176.1453 49 N 5.1186 7.7677 114.5414 51.0290 39.8269 174.3375 50 K 3.9732 8.9740 118.0473 60.0875 32.1448 178.8245 51 E 4.2753 8.3700 118.7775 59.1316 29.3638 178.4709 52 D 4.4234 8.4375 118.2724 56.9150 41.2535 178.2305 53 I 3.0285 7.5198 120.1382 63.9714 37.0142 178.1160 54 L 3.9000 7.8248 121.0523 58.1555 41.8673 178.9458 55 I 3.8036 8.0763 120.0928 64.7162 37.0188 178.6819 56 S 4.3427 8.3317 115.9459 61.2674 62.6121 176.3667 57 L 3.8700 8.2258 123.5194 58.2853 41.6009 179.0763 58 F 3.9291 8.2697 116.4998 60.3506 39.1616 177.1720 59 K 4.1786 8.5910 119.6299 59.7531 32.0714 178.7358 60 E 4.1154 8.7188 119.1352 59.1865 29.1882 178.6233 61 K 4.4178 8.7417 116.7049 57.3170 32.2682 178.7990 *63 G 4.5573 7.7104 108.3930 45.9278 0.0000 175.3733 64 Q 3.9650 7.8832 118.1822 58.5684 28.4739 178.4074 65 F 4.1885 7.6969 119.7681 61.5957 39.4270 176.6981 66 I 3.5305 7.8833 117.0311 64.6098 37.1184 177.5445 67 E 4.6136 7.9440 120.2587 58.8618 29.2820 180.4954 68 R 3.9193 7.7982 114.6515 57.0173 29.8586 178.3569 *70 E 4.1651 8.1561 120.9535 56.4965 31.6607 177.9956 71 E 3.8325 7.8805 119.0372 59.5518 29.4250 178.7043 72 D 4.3585 8.1078 118.9408 56.9413 40.8333 178.7173 73 I 3.8532 7.6504 113.1868 63.4528 37.5036 178.1371 74 K 3.9576 7.5515 119.9873 59.1753 31.9083 178.1783 75 E 4.2142 7.6494 115.3670 56.2033 29.9440 176.5859 76 K 4.3600 7.3851 119.3787 54.8736 33.4385 176.7155 77 A 4.0591 8.8757 127.3446 54.9272 18.8090 178.2175 78 T 4.5407 8.0035 105.6698 59.9346 72.2152 175.6428 79 A 3.9600 9.4076 123.9989 55.1579 18.2704 179.9376 80 K 3.8318 8.3213 117.6530 59.8661 32.2428 178.7065 81 E 3.9578 8.3116 118.7374 59.1688 29.3411 179.5456 82 K 3.9249 8.0895 118.6822 59.4038 32.1718 179.2162 83 L 3.9582 8.2865 120.7547 57.9037 41.9525 178.7795 84 A 3.9359 8.2287 121.2303 54.9047 18.2998 179.3058 85 L 3.8291 8.0194 118.8437 58.2921 42.2287 179.2187 86 V 3.5177 7.7002 118.0454 66.2263 31.3354 178.1094 87 I 3.4967 7.7442 119.3306 64.1964 36.8390 178.4313 88 S 3.9177 8.0001 113.9793 61.3792 62.1967 176.4164 89 K 4.0863 8.7176 121.5545 59.5759 31.7557 178.9400 90 H 3.7022 8.5146 118.6761 59.2565 29.7600 177.4435 91 F 4.2365 8.4098 119.8790 60.5621 38.4385 177.8702 92 S 4.1119 8.3805 115.0349 61.4045 62.4136 176.4021 93 L 3.9688 7.9634 122.1773 58.3676 42.2190 178.8821 94 L 4.1849 7.9462 118.5629 57.5579 41.3230 179.2100 95 A 4.4941 8.2280 120.1926 54.3321 18.4024 178.9578 96 G 4.0896 7.6569 102.3196 44.8102 0.0000 173.6049 97 D 4.3979 7.9121 120.9907 52.4670 43.1710 174.9384 98 H 4.8394 8.9826 128.7731 58.9963 29.8001 176.6353 99 N 4.2954 8.1756 117.6837 56.2719 38.3794 177.0124 100 L 3.8471 8.3197 121.5050 57.8424 41.8554 178.8450 101 A 4.0575 8.1354 120.8195 55.2786 18.2981 179.7179 102 I 3.6147 7.4099 117.9844 64.3807 37.1776 178.8597 103 V 3.5658 7.9443 119.4454 66.3101 31.2668 178.2264 104 T 3.9604 7.9972 107.7935 63.9278 68.8502 175.8011 105 Q 4.3684 7.7726 121.0387 58.2800 29.2607 177.8251 106 L 4.2700 8.1769 118.0461 56.5983 41.9380 177.7720 107 E 4.6425 8.1848 116.3132 55.8385 30.2519 176.6577 108 L 3.7864 7.8573 120.9591 57.4751 42.1537 177.1974 109 R 4.3990 7.7585 119.3128 54.4649 30.5547 175.3575 110 Q 4.4381 8.1658 121.9037 54.7160 30.1694 176.6623 111 S 4.1818 8.6197 115.8999 61.1018 62.9517 175.1590 112 N 4.3866 8.0833 119.1457 53.2539 39.6983 174.3671 113 L 3.9289 8.6797 130.0032 58.5081 42.2745 178.8703 114 E 4.1155 8.0882 116.8232 59.3446 29.6443 178.5083 115 L 3.9050 8.3567 121.4012 57.7103 42.1396 178.8906 116 R 3.7760 8.2985 118.9532 59.6333 30.0389 178.3340 117 Q 3.9826 8.3477 118.1319 59.0358 28.3153 179.3321 118 K 3.9626 8.0535 119.2818 59.5392 32.1266 179.5888 119 I 3.5436 7.6840 120.0455 64.3160 36.9794 178.1753 120 N 4.2109 8.6095 117.6867 56.1626 38.0711 176.9533 121 E 3.9061 8.0356 119.9326 59.3894 29.9795 178.7126 122 I 3.8938 7.4126 119.3019 64.4309 37.3263 178.3140 123 L 4.1954 7.9563 119.0094 56.6924 41.4463 179.1156 124 K 3.9635 8.2062 120.4985 59.2392 31.9814 178.6485 125 G 3.7278 7.9305 105.7855 48.0644 0.0000 174.9785 126 Y 4.0252 7.9918 121.8257 60.4371 38.8266 178.0576 127 L 4.1084 7.9539 119.4566 57.8830 41.6766 179.0411 128 N 4.3408 8.7504 116.8803 56.2186 38.3895 177.3830 129 I 3.6424 7.6027 120.7409 64.3925 37.1848 178.2730 130 L 4.0309 7.8407 119.2512 58.1513 41.5518 179.4455 131 D 4.4717 8.4025 118.8417 57.2280 40.7460 179.1629 132 G 3.5733 8.3336 106.3757 47.8492 0.0000 175.7292 133 I 3.7259 7.8912 122.6835 64.1328 37.1249 178.6077 134 L 4.0291 8.1513 119.7968 57.9546 41.4224 179.6861 135 T 3.8416 8.4376 116.0068 66.8462 68.4233 176.6441 136 E 4.1130 8.3590 120.5640 59.2663 29.4538 179.6474 137 G 3.6262 8.2045 105.9073 47.7761 0.0000 175.9157 138 I 3.9373 7.8118 122.0894 64.4292 36.9410 178.6012 139 Q 4.0746 7.7715 117.5994 58.5742 28.6031 178.2709 140 S 4.4086 8.1569 113.7617 59.0865 63.5165 175.2618 141 G 3.9365 7.7476 110.2989 45.3601 0.0000 173.8759 142 E 4.1243 7.6090 120.0612 57.6960 30.0168 176.7347 143 I 4.3814 7.3330 118.3133 58.6537 39.0360 175.1658 144 K 3.7660 8.5881 123.4015 56.8918 32.2824 175.6534 145 E 4.1423 8.6163 125.9702 57.6402 29.9822 177.4136 146 G 3.9403 8.8651 111.0602 44.8448 0.0000 173.5092 147 L 3.7973 7.2212 121.6240 55.4360 42.4827 176.6765 148 D 4.5230 8.6144 124.8824 53.4389 41.4774 176.7460 149 V 3.5807 8.3340 127.4052 66.1725 31.6532 177.7401 150 R 3.9267 8.0195 117.0580 59.4475 29.7749 178.9281 151 L 4.0199 8.3875 117.3238 57.7925 41.6818 179.2162 152 A 4.1531 8.1402 120.0941 55.0158 18.4874 179.3716 153 R 4.1249 8.4522 117.8259 59.3716 30.0515 179.1753 154 Q 4.4007 8.0171 116.5396 56.1499 28.5583 178.4860 *156 I 4.0957 7.7135 121.5846 61.4988 39.2597 177.9742 157 F 3.9908 8.6150 122.1751 61.1708 38.9304 177.4171 158 G 3.5456 8.4291 105.6057 47.8274 0.0000 175.9695 159 T 3.8460 7.7235 117.5441 66.4447 68.5771 176.4339 160 I 3.7807 7.7995 121.7937 64.7252 37.2168 177.9727 161 D 4.0789 7.8569 118.8413 57.2837 40.9361 177.9201 162 E 4.0184 8.3741 120.0766 59.2909 29.6320 178.8460 163 T 3.8489 8.0575 116.0132 66.6920 68.5830 176.8062 164 V 3.4323 7.9363 120.2965 66.2989 31.3298 178.2185 165 T 4.0557 8.2013 114.8762 66.8625 68.2917 176.5291 166 T 4.0741 7.9997 117.1918 66.2478 68.7212 176.2098 167 W 4.3363 8.0911 131.2248 59.6071 30.7064 179.6872 168 V 3.4740 8.3143 119.6109 62.3467 30.5735 176.4089 *170 N 4.6267 8.0290 111.4781 52.3096 39.9710 174.8323 171 D 4.1147 8.2416 114.3170 54.5029 40.4632 173.2539 172 Q 2.0000 7.3644 114.4340 55.6332 26.4909 176.0390 173 K 4.0113 7.3018 118.8813 58.6702 33.2628 176.4836 174 Y 4.6810 7.2300 117.2833 54.9479 39.9674 174.4478 175 D 4.8286 8.6147 120.1978 53.5214 40.4727 175.5250 176 L 3.6561 8.2161 129.6429 57.6726 42.4481 179.3601 177 V 3.7395 7.7392 117.2672 65.8979 31.1568 177.6064 178 A 4.1357 8.3238 119.7022 54.4985 18.4180 178.7658 179 L 4.3004 8.2809 117.2204 55.8645 41.8587 178.9128 180 S 4.0620 8.1471 115.5970 61.7186 62.5993 176.2114 181 N 4.2712 8.1092 120.2551 56.1865 38.8158 176.7152 182 S 4.1088 8.0580 116.0595 61.6233 62.9983 176.5368 183 V 3.6009 8.0005 120.9307 65.9820 31.1596 177.4343 184 L 3.8824 8.1816 120.2253 58.6207 41.8526 178.9287 185 E 3.9574 8.5403 118.4558 59.3344 29.2381 179.5037 186 L 4.0036 8.0412 119.2011 57.7462 41.4490 179.5184 187 L 4.0102 7.7452 118.0982 57.6997 41.6310 179.4222 188 V 3.7737 8.0007 117.6426 65.2477 31.6572 177.3255 189 S 4.6734 8.1546 111.4990 57.6066 64.3538 175.6203 190 G 3.9640 8.2425 112.0545 44.8235 0.0000 173.0977 191 I 4.0914 8.1221 110.1328 62.2741 38.3857 176.1029 192 H 4.5152 8.0425 118.2150 55.7499 29.2383 174.8722 193 N 4.5300 8.4889 118.2875 53.1547 37.4870 174.9899 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 6 P 0.00 4.37 0.00 2.22 2.27 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 7 K 8.18 3.84 0.00 1.79 1.86 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.06 7.81 8 Y 7.03 3.83 0.00 2.66 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 *10 Q 8.06 4.20 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 11 I 7.89 3.67 1.87 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 1.28 1.34 1.14 0.00 0.00 12 I 7.64 3.48 1.78 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 1.19 0.30 0.83 0.00 0.00 13 D 7.99 4.31 0.00 2.78 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 14 A 8.24 4.59 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 15 A 8.19 3.84 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 16 V 7.71 3.43 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 0.96 0.00 0.00 0.86 0.00 0.00 17 E 7.78 3.89 0.00 2.16 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 2.30 2.28 0.00 18 V 8.01 3.58 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 1.00 0.00 0.00 0.93 0.00 0.00 19 I 8.38 3.73 2.00 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 1.62 0.79 1.02 0.00 0.00 20 A 7.86 4.01 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 21 E 7.79 3.98 0.00 2.08 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 0.00 2.30 2.33 0.00 22 N 7.79 4.82 0.00 2.66 2.81 0.00 0.00 7.41 7.53 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 23 G 7.75 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 9.40 4.09 0.00 3.09 3.19 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 25 H 8.52 3.92 0.00 3.15 3.33 0.00 5.78 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 26 Q 7.95 4.06 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 27 S 7.49 4.14 0.00 3.95 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.22 4.62 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 29 V 8.44 3.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 30 S 8.01 4.24 0.00 4.09 4.12 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 31 K 7.95 3.97 0.00 1.83 1.98 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.45 7.81 32 I 7.55 3.62 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.50 0.80 0.00 0.00 33 A 7.98 3.91 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 34 K 8.01 3.78 0.00 1.94 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.71 7.81 35 Q 8.15 3.69 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 36 A 8.32 4.28 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 37 G 8.85 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.80 4.46 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 0.77 0.00 0.00 0.93 0.00 0.00 39 A 8.15 4.40 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 40 D 8.72 4.40 0.00 2.76 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 41 G 8.12 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.65 4.00 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 1.40 0.00 0.00 43 I 7.43 3.86 1.67 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 1.49 0.60 0.58 0.00 0.00 44 Y 7.07 5.36 0.00 3.16 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 45 L 7.91 4.04 0.00 1.68 0.83 0.87 0.61 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 46 Y 7.87 4.45 0.00 2.55 2.54 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 47 F 8.39 5.19 0.00 3.12 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 48 K 9.92 4.21 0.00 1.72 1.72 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.25 7.81 49 N 7.77 5.12 0.00 3.03 3.08 0.00 0.00 5.87 6.43 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 50 K 8.97 3.97 0.00 1.91 1.96 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.35 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.47 7.81 51 E 8.37 4.28 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.27 0.00 52 D 8.44 4.42 0.00 3.13 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 53 I 7.52 3.03 1.96 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.56 0.56 0.00 0.00 54 L 7.82 3.90 0.00 1.63 1.63 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.08 3.80 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.98 0.00 0.00 56 S 8.33 4.34 0.00 4.11 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 57 L 8.23 3.87 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 118 K 8.05 3.96 0.00 1.89 1.85 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.64 7.81 119 I 7.68 3.54 1.60 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.66 0.23 0.00 0.00 120 N 8.61 4.21 0.00 2.84 2.79 0.00 0.00 6.67 7.56 0.00 0.00 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 E 8.04 3.91 0.00 1.94 2.28 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 2.33 2.36 0.00 122 I 7.41 3.89 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.07 1.04 0.00 0.00 123 L 7.96 4.20 0.00 1.64 1.51 1.00 0.42 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 0.00 124 K 8.21 3.96 0.00 2.02 1.91 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.34 7.81 125 G 7.93 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 0.00 126 Y 7.99 4.03 0.00 3.10 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 0.00 127 L 7.95 4.11 0.00 1.68 1.66 0.72 0.14 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 0.00 128 N 8.75 4.34 0.00 2.85 2.86 0.00 0.00 7.00 7.32 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 0.00 129 I 7.60 3.64 1.95 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.78 0.00 0.00 130 L 7.84 4.03 0.00 2.03 1.83 1.22 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.40 4.47 0.00 2.85 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 0.00 132 G 8.33 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 3.73 2.02 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 1.50 0.86 0.91 0.00 0.00 134 L 8.15 4.03 0.00 1.85 1.72 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.44 3.84 4.27 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 1.21 0.00 0.00 136 E 8.36 4.11 0.00 1.98 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 2.54 2.46 0.00 137 G 8.20 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 0.00 138 I 7.81 3.94 2.07 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 1.05 0.91 0.00 0.00 139 Q 7.77 4.07 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 140 S 8.16 4.41 0.00 4.02 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 0.00 141 G 7.75 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 0.00 142 E 7.61 4.12 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 143 I 7.33 4.38 1.89 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 1.18 1.00 0.92 0.00 0.00 144 K 8.59 3.77 0.00 1.78 1.75 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.52 7.81 145 E 8.62 4.14 0.00 2.00 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 2.31 2.25 0.00 146 G 8.87 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 0.00 147 L 7.22 3.80 0.00 1.76 1.61 0.93 1.64 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 0.00 148 D 8.61 4.52 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.33 3.58 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 1.12 0.00 0.00 0.94 0.00 0.00 150 R 8.02 3.93 0.00 2.04 1.97 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 151 L 8.39 4.02 0.00 1.77 1.75 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.14 4.15 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 0.00 153 R 8.45 4.12 0.00 1.94 2.21 0.00 3.29 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 154 Q 8.02 4.40 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.17 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 *156 I 7.71 4.10 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 1.02 0.00 0.00 157 F 8.62 3.99 0.00 3.05 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 0.00 158 G 8.43 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.72 3.85 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 1.24 0.00 0.00 160 I 7.80 3.78 1.82 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 1.01 0.00 0.00 161 D 7.86 4.08 0.00 2.05 2.50 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 0.00 162 E 8.37 4.02 0.00 2.13 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 2.31 2.40 0.00 163 T 8.06 3.85 4.44 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 1.14 0.00 0.00 164 V 7.94 3.43 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 1.01 0.00 0.00 0.71 0.00 0.00 165 T 8.20 4.06 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 0.00 166 T 8.00 4.07 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 167 W 8.09 4.34 0.00 3.07 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 0.00 168 V 8.31 3.47 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 0.85 0.00 0.00 0.93 0.00 0.00 *170 N 8.03 4.63 0.00 3.11 2.96 0.00 0.00 6.62 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 0.00 171 D 8.24 4.11 0.00 2.63 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 0.00 172 Q 7.36 2.00 0.00 1.60 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 173 K 7.30 4.01 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.31 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.52 7.81 174 Y 7.23 4.68 0.00 3.25 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 0.00 175 D 8.61 4.83 0.00 2.75 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 0.00 176 L 8.22 3.66 0.00 0.27 0.56 -0.40 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 177 V 7.74 3.74 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 0.92 0.00 0.00 178 A 8.32 4.14 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 0.00 179 L 8.28 4.30 0.00 1.89 1.80 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.15 4.06 0.00 3.82 4.27 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 0.00 181 N 8.11 4.27 0.00 2.86 2.86 0.00 0.00 7.15 7.63 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 0.00 182 S 8.06 4.11 0.00 4.07 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 0.00 183 V 8.00 3.60 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 1.05 0.00 0.00 1.18 0.00 0.00 184 L 8.18 3.88 0.00 1.73 1.85 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.54 3.96 0.00 2.12 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 2.53 2.50 0.00 186 L 8.04 4.00 0.00 1.90 1.73 0.94 0.44 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 0.00 187 L 7.75 4.01 0.00 1.80 1.74 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 188 V 8.00 3.77 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 0.83 0.00 0.00 1.00 0.00 0.00 189 S 8.15 4.67 0.00 3.99 3.86 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 0.00 190 G 8.24 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 0.00 0.00 0.00 191 I 8.12 4.09 1.89 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 0.68 0.92 0.00 0.00 192 H 8.04 4.52 0.00 3.12 3.28 0.00 5.88 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 N 8.49 4.53 0.00 2.81 2.78 0.00 0.00 5.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.