NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 C 4.4422 8.3293 120.8157 58.6573 33.7723 173.6152 57 S 4.5992 7.2990 112.2570 53.5765 65.5894 172.0885 58 P 4.4207 0.0000 0.0000 64.2836 31.9926 177.9052 59 G 4.2821 7.8459 104.3698 47.0449 0.0000 172.5372 60 I 4.9916 7.6017 122.1398 59.6751 38.9691 174.9949 61 W 5.1591 9.3521 126.0012 54.9534 33.5570 174.2161 62 Q 5.1871 9.0382 120.6584 54.2607 31.5459 174.7525 63 L 5.3308 8.0843 121.5705 53.4194 45.7865 175.1444 64 D 4.6019 8.5349 118.6842 54.2911 45.4522 174.1263 65 C 5.2970 8.9934 119.5250 58.3731 30.8122 172.8544 66 T 4.6983 8.6998 116.0418 60.6490 71.3124 171.8131 67 H 5.4798 8.5237 119.0747 54.0585 32.6830 173.2784 68 L 4.5342 8.7424 122.3407 55.0930 45.2059 175.3105 69 E 3.8757 9.8995 123.2996 57.4516 27.1319 175.6716 70 G 3.8775 8.4502 103.3318 45.8667 0.0000 174.0848 71 K 4.5121 8.3871 119.5536 54.4493 34.7422 174.9083 72 V 4.7484 8.0900 119.5996 61.4609 33.6525 174.0741 73 I 4.8224 8.4861 129.2142 59.4951 39.5944 174.3438 74 L 4.5099 8.7718 130.5500 53.8564 43.4949 175.3279 75 V 5.0027 8.8197 126.1732 60.9921 34.8853 173.9340 76 A 5.4210 9.2864 128.3768 50.2247 22.4224 174.9142 77 V 4.7947 9.1066 122.4066 61.2561 35.0727 174.1542 78 H 3.6283 9.0730 128.6473 54.7000 29.4812 175.5580 79 V 3.3114 7.7092 125.6555 65.9910 31.2758 178.1651 80 A 3.9216 7.4076 119.3739 53.6402 18.3816 177.7996 81 S 4.3893 7.4690 107.9406 56.9919 64.7936 175.6189 82 G 3.8963 8.5527 108.6429 44.7641 0.0000 172.9076 83 Y 4.4516 7.9068 122.2817 57.7469 39.7988 174.8209 84 I 5.1053 7.7387 118.1131 59.3412 41.4437 174.2503 85 E 4.8555 9.0914 120.7927 55.0276 33.8825 174.5282 86 A 5.3594 8.4263 123.7967 51.0598 22.9912 174.6708 87 E 4.7690 8.6673 116.4032 55.3720 33.8521 174.9815 88 V 4.4342 8.6781 126.9368 62.6851 31.1379 174.9772 89 I 4.7058 8.7712 121.7597 58.2103 39.8823 174.8590 90 P 4.4189 0.0000 0.0000 65.7280 31.2189 176.3935 91 A 4.5697 7.1430 116.7660 50.6124 22.6998 176.2443 92 E 4.1822 8.5722 123.2241 55.6441 28.5395 175.6456 93 T 4.6148 7.1687 112.8136 59.9276 73.2751 175.5499 94 G 3.5503 8.2963 107.1618 47.6706 0.0000 175.6842 95 Q 3.9753 7.9859 121.3908 59.1658 29.1583 178.1622 96 E 4.0855 7.8804 119.0183 59.7500 29.4929 179.5147 97 T 3.8681 7.8809 115.3660 66.5496 68.3984 176.6652 98 A 4.0989 8.6881 123.1105 55.2201 18.4004 179.0212 99 Y 4.1847 8.2082 118.1288 60.8773 38.8430 178.0773 100 F 3.8831 8.3843 121.5901 61.2027 39.4799 176.8387 101 L 4.0035 8.3756 119.9827 58.1226 42.0165 178.8942 102 L 4.0035 8.2668 119.3009 57.6499 41.1531 179.6309 103 K 3.7327 7.7086 118.3250 59.2701 31.9813 179.0806 104 L 3.6110 7.6590 120.3358 58.1488 41.7478 178.9274 105 A 4.0700 8.3531 119.7439 54.8140 18.3675 179.2145 106 G 3.6813 7.8113 102.1575 46.1488 0.0000 174.4862 107 R 3.9653 7.0131 119.9910 56.9562 30.9242 175.7924 108 W 4.9208 7.5720 114.5298 53.7739 32.6111 173.4119 109 P 4.4347 0.0000 0.0000 62.4030 30.3989 176.1418 110 V 4.5181 8.3913 124.1274 61.2779 32.7139 174.5884 111 K 4.5963 9.1210 127.3427 57.3282 35.0009 176.8316 112 T 5.1687 7.8656 115.2912 61.7878 73.0768 173.4347 113 V 4.8765 8.7661 118.8319 59.8852 35.1263 174.1447 114 H 5.4158 9.2695 123.3921 54.3232 31.1481 173.9031 115 T 4.7088 8.3332 112.6990 60.3288 72.9299 172.4270 116 D 4.8862 8.1754 120.7031 52.5870 41.7505 175.4766 117 N 5.0465 8.5412 114.6694 52.9222 38.2712 175.4390 118 G 3.8966 8.6570 108.1451 46.7611 0.0000 175.4014 119 S 4.1350 8.9947 119.3229 61.7270 62.5328 177.0708 120 N 4.2975 7.8994 118.1676 56.0502 37.1971 176.9644 121 F 4.6472 7.9278 119.1662 59.4382 39.1627 176.7829 122 T 4.4142 7.7808 106.9090 60.4993 69.6638 174.7807 123 S 4.3603 7.1591 116.6913 58.6059 63.8326 175.5184 124 T 3.9684 8.4263 111.7725 65.1636 68.6528 176.6892 125 T 3.8239 7.8739 115.5246 64.8959 67.3256 176.1637 126 V 3.6877 7.8351 119.9565 65.7990 31.5756 177.8630 127 K 3.9931 8.1852 119.1508 59.5142 31.9101 178.6810 128 A 4.0493 8.5006 121.1701 54.9552 18.2524 179.3755 129 A 4.0357 8.1216 119.3303 55.7077 18.5229 179.6330 130 C 4.1658 8.4828 115.4117 62.9746 28.0604 176.2037 131 E 3.9984 8.3939 120.1711 59.2553 28.8925 179.2463 132 W 4.1970 8.4854 127.4203 60.4120 30.9478 177.7793 133 G 3.8307 8.6465 103.5627 44.9368 0.0000 173.6049 134 G 3.7893 7.6535 108.8538 46.6779 0.0000 173.2438 135 I 4.5928 8.0954 120.3307 59.1522 39.0054 175.6959 136 K 4.5038 9.2231 128.4880 55.5127 33.8920 175.1714 137 Q 5.0701 8.5752 124.2381 54.1745 32.0312 174.8274 138 E 4.4656 8.4266 120.9957 54.6815 33.8397 174.4837 139 F 4.9000 8.9940 123.5532 56.5570 40.2328 174.9789 140 G 3.9817 8.8252 113.3707 45.3732 0.0000 171.3273 *143 Y 4.2140 7.9831 120.5970 57.2946 39.8089 174.3615 144 N 3.9702 6.6603 117.9632 52.0963 41.1270 172.9451 145 P 3.9505 0.0000 0.0000 66.0037 31.5745 177.0586 146 Q 4.3014 7.7750 117.7775 53.8547 28.3683 176.6309 147 S 5.5681 7.4090 125.0570 59.3113 62.8061 176.6801 148 Q 3.8903 7.8534 122.9618 57.1155 28.6015 175.8922 149 G 4.0089 8.7307 114.9233 46.7288 0.0000 175.5882 150 V 3.5115 7.6818 119.6827 65.7567 31.6736 177.0474 151 I 3.7097 7.6454 117.8723 63.9257 37.6983 177.4765 152 E 3.9730 8.0945 119.1439 59.5637 29.2932 179.3149 153 S 4.1466 7.8454 115.1628 61.9231 62.8870 176.7456 154 M 4.0667 7.9744 120.9141 58.2817 31.6400 178.5200 155 N 4.3998 8.2469 116.8301 56.1196 38.6663 177.6745 156 K 3.9380 7.8180 119.9262 59.3836 32.2832 178.8551 157 E 3.9387 8.4149 119.9609 59.3464 29.4250 178.7229 158 L 3.9544 8.4033 120.5049 58.1778 42.1927 179.0746 159 K 3.9658 8.0325 118.4731 59.1428 32.0533 179.2870 160 K 3.9313 8.5376 120.3212 59.7152 32.2019 178.9447 161 I 4.3125 7.6858 121.3746 63.9108 37.0806 178.4953 162 I 3.8160 8.1192 120.9626 64.4031 36.7395 178.6254 163 G 3.7116 8.0221 105.3185 48.0114 0.0000 175.4244 164 Q 4.2198 8.0868 119.8800 57.9879 28.3095 178.0609 165 V 4.3459 7.5703 111.0792 60.9809 31.8888 177.3795 166 R 3.9131 7.7763 120.3142 59.9437 29.5776 177.8822 167 D 4.3810 8.1387 116.7278 57.7278 40.9126 178.3694 168 Q 4.0789 7.6947 115.1395 57.4719 28.8430 176.1818 169 A 4.7767 7.7908 120.2493 50.0977 21.6448 175.4862 170 E 4.0839 8.3014 119.2673 58.5379 30.2387 178.2053 171 H 4.8849 7.5129 114.5987 54.4546 31.9516 176.2004 172 L 4.0012 8.3604 123.5946 58.0714 41.5547 178.8745 173 K 3.9044 8.1808 118.4640 60.6827 32.2244 179.0660 174 T 3.9011 7.9174 116.1184 65.9983 68.4931 176.3145 175 A 3.9829 7.7270 122.7450 55.2857 18.3332 179.6568 176 V 3.5767 7.9700 116.6465 66.5789 31.5833 178.3553 177 Q 4.0938 7.9281 116.9643 58.8892 28.4178 178.6152 178 M 4.0655 8.0926 120.0052 58.1671 31.9438 178.4469 179 A 4.0330 8.5515 121.3843 55.2248 18.5753 179.8664 180 V 3.5384 8.1284 116.8773 65.9688 31.5230 177.9454 181 F 4.0861 8.3055 120.3677 61.4898 39.2890 177.1624 182 I 3.9265 8.3124 119.5267 64.6118 36.6908 177.8390 183 H 4.0337 8.3410 118.0944 59.5970 30.0002 176.9536 184 N 4.5075 8.4104 117.9193 55.6122 38.1121 176.8377 185 K 4.1469 7.5210 117.7094 55.8282 33.0538 177.0891 186 K 4.0513 7.4749 121.0927 56.3784 32.9014 175.9261 187 R 4.6773 8.2437 123.9720 53.7057 32.8455 175.6301 188 K 3.9491 8.6661 120.9623 58.1978 32.4260 177.6904 189 G 3.8855 9.5348 109.8091 45.4400 0.0000 173.6396 190 G 3.9564 8.7610 106.4785 45.8994 0.0000 174.0313 191 I 4.3158 7.5990 119.5669 60.3057 40.9702 176.7916 192 G 3.6421 9.3764 115.8856 46.0780 0.0000 172.9859 193 G 3.8170 8.2989 108.6681 45.0219 0.0000 172.1295 194 Y 4.8438 8.4137 115.4116 56.2971 40.2381 176.5628 195 S 4.7345 8.5915 118.0923 57.0254 66.2072 175.2267 196 A 4.1059 8.5019 123.3203 55.4236 18.1202 179.9793 197 G 3.6855 8.5044 104.4054 48.1428 0.0000 175.7162 198 E 4.2397 8.0678 120.3864 58.7458 29.5425 179.6256 199 R 3.7296 8.0518 118.4371 59.0376 30.0666 178.6999 200 I 3.3257 7.4535 118.3188 64.2739 37.8584 178.4015 201 V 3.6886 7.2534 111.7954 64.2023 31.2635 178.2393 202 D 4.2492 8.0659 117.9763 57.4533 41.0015 178.3405 203 I 3.6548 8.0822 120.6898 64.3971 37.1129 178.6213 204 I 3.7399 8.0807 120.7126 64.1275 36.7488 178.1742 205 A 4.0081 7.9724 120.9440 55.4611 18.5176 179.4794 206 T 3.9339 7.8658 108.2279 65.0858 68.5993 176.0606 207 D 4.4171 7.6634 119.9301 57.0301 41.2881 177.9700 208 I 3.9051 7.5751 118.5304 63.1548 37.0980 176.0474 209 Q 4.1220 8.2579 124.2868 56.0168 29.6206 174.7870 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 C 8.33 4.44 0.00 2.88 2.96 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 57 S 7.30 4.60 0.00 4.04 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 58 P 0.00 4.42 0.00 2.21 2.18 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 59 G 7.85 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 0.00 0.00 0.00 0.00 60 I 7.60 4.99 1.70 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 1.16 1.12 0.72 0.00 0.00 61 W 9.35 5.16 0.00 3.20 3.14 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 0.00 0.00 0.00 62 Q 9.04 5.19 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 63 L 8.08 5.33 0.00 1.26 1.56 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.53 4.60 0.00 2.69 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 8.99 5.30 0.00 2.98 2.71 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 0.00 0.00 0.00 0.00 66 T 8.70 4.70 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 1.23 0.00 0.00 67 H 8.52 5.48 0.00 3.03 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.74 4.53 0.00 1.68 1.45 0.93 0.81 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 69 E 9.90 3.88 0.00 2.13 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 2.24 2.30 0.00 70 G 8.45 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 71 K 8.39 4.51 0.00 2.01 1.73 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.39 7.81 72 V 8.09 4.75 2.24 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 1.02 0.00 0.00 0.99 0.00 0.00 73 I 8.49 4.82 1.84 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 1.12 0.62 0.91 0.00 0.00 74 L 8.77 4.51 0.00 1.51 1.15 0.82 0.14 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 75 V 8.82 5.00 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 0.91 0.00 0.00 0.95 0.00 0.00 76 A 9.29 5.42 1.63 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 77 V 9.11 4.79 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 0.85 0.00 0.00 0.92 0.00 0.00 78 H 9.07 3.63 0.00 1.47 2.63 0.00 5.67 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.71 3.31 1.84 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 0.75 0.00 0.00 0.83 0.00 0.00 80 A 7.41 3.92 1.08 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.47 4.39 0.00 3.98 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 82 G 8.55 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.91 4.45 0.00 3.05 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 84 I 7.74 5.11 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.76 0.00 0.00 85 E 9.09 4.86 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 2.35 2.58 0.00 86 A 8.43 5.36 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 87 E 8.67 4.77 0.00 2.26 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 2.25 2.28 0.00 88 V 8.68 4.43 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 0.92 0.00 0.00 0.96 0.00 0.00 89 I 8.77 4.71 1.89 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 1.41 0.78 0.95 0.00 0.00 90 P 0.00 4.42 0.00 2.19 2.24 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 91 A 7.14 4.57 1.18 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 92 E 8.57 4.18 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 2.18 2.19 0.00 93 T 7.17 4.61 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 1.18 0.00 0.00 94 G 8.30 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 95 Q 7.99 3.98 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 96 E 7.88 4.09 0.00 2.02 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 0.00 2.33 2.65 0.00 97 T 7.88 3.87 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 1.11 0.00 0.00 98 A 8.69 4.10 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 99 Y 8.21 4.18 0.00 3.15 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 0.00 100 F 8.38 3.88 0.00 3.17 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 0.00 101 L 8.38 4.00 0.00 2.16 1.72 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.27 4.00 0.00 1.83 1.66 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.71 3.73 0.00 1.54 1.52 0.00 0.63 0.00 0.00 0.67 0.00 0.00 2.54 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.15 1.00 7.81 104 L 7.66 3.61 0.00 1.33 1.53 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.35 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.81 3.68 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 0.00 0.00 0.00 107 R 7.01 3.97 0.00 1.48 1.81 0.00 2.96 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 108 W 7.57 4.92 0.00 3.41 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 0.00 109 P 0.00 4.43 0.00 2.35 2.10 0.00 3.91 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 110 V 8.39 4.52 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 0.67 0.00 0.00 0.47 0.00 0.00 111 K 9.12 4.60 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 112 T 7.87 5.17 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 0.00 113 V 8.77 4.88 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 0.75 0.00 0.00 0.92 0.00 0.00 114 H 9.27 5.42 0.00 2.96 3.06 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.33 4.71 3.26 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 0.58 0.00 0.00 116 D 8.18 4.89 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.54 5.05 0.00 2.82 2.99 0.00 0.00 5.86 7.00 0.00 0.00 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 8.66 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.99 4.13 0.00 3.85 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 0.00 120 N 7.90 4.30 0.00 2.71 2.95 0.00 0.00 6.05 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 7.93 4.65 0.00 3.40 3.35 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 0.00 122 T 7.78 4.41 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 123 S 7.16 4.36 0.00 4.07 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 0.00 124 T 8.43 3.97 4.26 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 1.22 0.00 0.00 125 T 7.87 3.82 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 1.28 0.00 0.00 126 V 7.84 3.69 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.13 0.00 0.00 127 K 8.19 3.99 0.00 2.12 2.04 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.57 7.81 128 A 8.50 4.05 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 0.00 129 A 8.12 4.04 1.46 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 0.00 130 C 8.48 4.17 0.00 3.23 3.28 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 0.00 131 E 8.39 4.00 0.00 2.34 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 0.00 2.40 2.53 0.00 132 W 8.49 4.20 0.00 3.35 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.65 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 0.00 134 G 7.65 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 0.00 135 I 8.10 4.59 1.91 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 1.34 0.69 0.93 0.00 0.00 136 K 9.22 4.50 0.00 1.79 1.82 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 137 Q 8.58 5.07 0.00 1.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.47 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 138 E 8.43 4.47 0.00 1.76 1.62 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 2.20 2.42 0.00 139 F 8.99 4.90 0.00 2.90 3.03 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 0.00 0.00 0.00 0.00 140 G 8.83 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 *143 Y 7.98 4.21 0.00 2.95 2.96 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 0.00 144 N 6.66 3.97 0.00 2.63 2.40 0.00 0.00 6.80 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 0.00 145 P 0.00 3.95 0.00 2.18 2.24 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 146 Q 7.78 4.30 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.25 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 147 S 7.41 5.57 0.00 4.15 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 0.00 148 Q 7.85 3.89 0.00 1.67 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 149 G 8.73 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 0.00 0.00 0.00 150 V 7.68 3.51 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 0.92 0.00 0.00 0.87 0.00 0.00 151 I 7.65 3.71 1.84 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 1.61 1.04 0.88 0.00 0.00 152 E 8.09 3.97 0.00 2.21 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 2.40 0.00 153 S 7.85 4.15 0.00 3.93 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 0.00 154 M 7.97 4.07 0.00 1.98 2.19 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 2.56 2.90 0.00 155 N 8.25 4.40 0.00 2.92 2.86 0.00 0.00 6.98 6.50 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 0.00 156 K 7.82 3.94 0.00 1.92 1.85 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 157 E 8.41 3.94 0.00 2.21 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 2.33 2.53 0.00 158 L 8.40 3.95 0.00 1.77 1.70 0.93 0.81 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 0.00 159 K 8.03 3.97 0.00 2.09 1.85 0.00 1.79 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.61 7.81 160 K 8.54 3.93 0.00 1.79 2.00 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 7.69 4.31 2.03 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 1.57 1.80 1.00 0.00 0.00 162 I 8.12 3.82 2.06 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 1.48 1.45 0.93 0.00 0.00 163 G 8.02 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.09 4.22 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 165 V 7.57 4.35 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 0.89 0.00 0.00 1.04 0.00 0.00 166 R 7.78 3.91 0.00 2.11 1.95 0.00 3.18 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 167 D 8.14 4.38 0.00 2.70 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 0.00 168 Q 7.69 4.08 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 169 A 7.79 4.78 1.22 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 0.00 0.00 0.00 170 E 8.30 4.08 0.00 1.76 1.85 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 2.23 2.34 0.00 171 H 7.51 4.88 0.00 3.19 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.36 4.00 0.00 1.93 1.68 0.99 nan 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 0.00 173 K 8.18 3.90 0.00 2.06 2.12 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.61 7.81 174 T 7.92 3.90 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 1.21 0.00 0.00 175 A 7.73 3.98 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 7.97 3.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 177 Q 7.93 4.09 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 178 M 8.09 4.07 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 179 A 8.55 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.13 3.54 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 1.04 0.00 0.00 1.05 0.00 0.00 181 F 8.31 4.09 0.00 3.32 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 0.00 182 I 8.31 3.93 2.12 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 1.55 0.91 0.98 0.00 0.00 183 H 8.34 4.03 0.00 3.15 3.47 0.00 5.76 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 8.41 4.51 0.00 2.78 2.97 0.00 0.00 7.06 7.10 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 0.00 185 K 7.52 4.15 0.00 1.67 1.79 0.00 1.36 0.00 0.00 1.26 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 1.29 7.81 186 K 7.47 4.05 0.00 1.88 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 187 R 8.24 4.68 0.00 1.87 1.93 0.00 3.18 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 188 K 8.67 3.95 0.00 1.82 1.76 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.47 7.81 189 G 9.53 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 0.00 0.00 0.00 190 G 8.76 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 7.60 4.32 1.86 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 1.22 0.78 0.89 0.00 0.00 192 G 9.38 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 0.00 193 G 8.30 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 8.41 4.84 0.00 2.87 2.88 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 0.00 195 S 8.59 4.73 0.00 4.19 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 0.00 196 A 8.50 4.11 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 8.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 8.07 4.24 0.00 2.19 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 0.00 2.38 2.39 0.00 199 R 8.05 3.73 0.00 1.97 1.85 0.00 3.03 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.81 0.00 200 I 7.45 3.33 1.32 0.00 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.75 0.24 0.00 0.00 201 V 7.25 3.69 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 0.85 0.00 0.00 1.04 0.00 0.00 202 D 8.07 4.25 0.00 2.81 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 0.00 203 I 8.08 3.65 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.86 0.00 0.00 204 I 8.08 3.74 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.13 0.99 0.00 0.00 205 A 7.97 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 0.00 206 T 7.87 3.93 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 1.27 0.00 0.00 207 D 7.66 4.42 0.00 2.74 2.90 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 0.00 208 I 7.58 3.91 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 1.53 0.93 0.91 0.00 0.00 209 Q 8.26 4.12 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.