NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7278 8.4545 109.7361 45.1172 0.0000 174.2280 *2 Q 4.1017 8.5388 121.6777 54.7147 29.0619 171.6522 3 L 4.5774 8.3214 123.9339 53.6207 42.8445 176.8860 4 T 4.7788 10.0236 112.5895 58.9587 73.1526 175.0909 5 S 4.0828 8.7015 116.3617 61.9541 62.6943 176.0117 6 E 4.1683 8.2090 121.5411 57.9954 29.8747 177.2458 7 N 4.8850 7.9526 114.1284 52.7271 38.0342 175.6520 8 Y 3.9486 8.0015 123.5881 60.8507 38.5153 176.7948 9 Y 4.7210 7.6309 113.8278 57.8030 38.5994 176.2969 10 S 4.4275 7.9244 116.6811 58.0494 65.0195 175.0557 11 Q 4.0114 8.6533 122.2295 59.3989 28.4164 179.3139 12 E 4.0305 8.1892 117.6035 59.1411 29.8946 178.7737 13 A 4.0836 7.9775 121.9883 55.0498 18.1999 179.0727 14 N 4.4626 8.0559 113.6785 55.4320 38.7845 177.6809 15 K 4.0922 7.6278 119.4536 59.3876 32.2991 178.6683 16 E 3.8865 7.9568 119.5288 59.9677 29.6532 175.0246 17 Y 5.0772 7.6508 116.0936 56.0481 40.7497 174.9282 *19 S 4.4795 8.2779 115.4062 58.9643 65.6805 174.5566 20 V 4.0294 8.6112 120.9286 66.3745 31.3695 178.0125 21 S 4.3717 8.4377 112.5178 61.3695 61.9799 175.7680 22 G 3.9545 8.6267 109.0445 48.2751 0.0000 174.7756 23 Y 4.2546 8.5405 122.3160 60.5211 38.9588 178.2887 24 K 3.9253 8.3602 119.0349 59.3954 31.9722 178.7844 25 D 4.5031 8.1183 119.0101 57.6631 40.5652 179.2194 26 F 4.0519 7.6540 115.3889 60.3646 39.1502 177.1854 27 A 4.2415 8.3182 118.3204 51.1110 19.3070 178.1662 28 G 3.8140 8.3858 105.7459 45.1575 0.0000 171.8109 29 T 4.5636 8.0788 107.6530 59.4446 71.9527 174.3692 30 Y 3.7739 7.3899 118.8277 60.8136 37.6470 178.3548 31 G 3.0307 6.6630 106.1494 45.5652 0.0000 173.6938 32 K 4.0586 7.3915 122.3864 55.0018 34.6909 172.5283 *34 P 4.3270 0.0000 0.0000 63.0846 32.3610 176.3054 35 C 4.4240 8.1410 120.1265 58.6644 33.1378 174.5309 36 E 3.9669 8.9892 128.0081 59.5388 29.4985 178.4112 37 F 4.3401 8.2720 119.8547 61.5917 39.7661 175.3631 38 Y 3.9693 8.4219 120.9345 60.7841 38.2837 178.7536 39 G 2.6299 7.3668 104.4240 46.1104 0.0000 174.7685 *41 E 4.1168 8.1979 121.6067 55.9320 31.1183 178.4628 42 K 4.2500 7.6572 119.5157 58.7191 31.7142 179.3819 43 L 3.9608 7.2374 117.7899 58.0736 41.7420 179.0225 44 N 4.4443 8.0898 114.3842 54.4709 38.3686 175.9639 45 G 3.8533 7.4772 105.9901 46.2112 0.0000 174.1966 46 R 4.3825 7.8709 117.0742 55.4938 30.8376 176.3824 47 W 4.8181 7.9245 130.7167 56.1521 33.0733 173.6832 48 E 4.5685 7.8476 121.6887 53.5649 31.6911 172.0261 49 D 4.4288 8.5297 126.0081 53.5877 41.5874 176.7804 50 E 3.9114 8.7220 121.5797 56.2716 29.9307 177.1658 51 K 4.1410 8.6523 126.6583 53.8819 32.4870 173.2815 52 S 4.9366 8.3674 117.8748 56.1146 66.4893 175.3441 53 T 3.8924 8.5277 120.5791 67.0366 68.2832 176.5621 54 A 3.9325 7.9086 121.8223 55.1794 18.5068 179.5876 55 L 3.9797 7.8025 116.9962 57.8419 41.7165 179.7069 56 L 4.2553 8.2814 119.1426 57.9067 41.7416 179.3200 57 V 3.5967 8.3047 118.6940 66.3170 31.3322 178.0552 58 G 3.7988 8.0565 104.8891 48.3013 0.0000 175.6721 59 S 4.2042 8.7875 117.5894 61.0007 62.7777 176.1763 60 Y 3.1444 7.8056 122.6962 60.3789 38.6615 178.2476 61 V 3.7293 7.8373 118.7296 65.9982 31.6638 177.5170 62 D 4.5338 8.1111 118.7619 57.7645 40.3507 178.9248 63 S 4.1123 8.2261 115.0779 60.7029 62.1125 175.4219 64 Y 3.8470 7.7965 122.2638 60.8657 38.3028 178.4245 65 F 4.0485 7.8432 116.3492 59.9581 39.0740 176.7822 66 E 4.2083 8.1740 117.8327 56.2446 29.6907 176.2775 67 G 3.7408 7.6871 106.5996 47.2604 0.0000 173.8557 68 S 4.7366 7.9067 111.3519 57.1658 63.9138 175.9638 69 L 4.0516 7.9614 126.5529 58.3072 41.8874 177.5734 70 D 4.3593 8.0729 117.6918 57.5767 41.2200 177.9865 71 Q 4.0378 8.0509 119.4235 58.7396 29.0202 177.3687 72 F 4.0972 8.2853 121.9819 61.3371 39.1871 177.3155 73 K 4.0890 8.1821 116.8047 59.4005 31.9428 179.1390 74 K 4.1100 7.8056 117.6541 59.5871 32.1208 178.6649 75 D 4.5343 7.9387 116.7160 55.2909 42.3305 176.1542 76 N 5.1732 7.8150 116.1615 49.7841 39.0024 173.7639 77 P 4.5672 0.0000 0.0000 65.1511 31.9066 178.1848 78 E 4.2596 8.0193 116.4652 57.3832 30.1311 177.8532 79 I 3.5030 7.5399 113.5412 61.7146 38.0399 175.3776 80 F 5.2289 7.3234 120.2607 55.5214 41.3848 175.5797 81 T 4.2094 8.9134 114.3016 61.2795 69.3116 175.4151 82 Q 3.9848 8.6958 125.5672 59.6107 29.1728 178.1969 83 K 4.1348 7.9141 117.7360 55.0395 32.0446 180.8111 84 G 4.0338 7.5190 103.9339 46.3443 0.0000 174.2947 85 E 4.5524 8.0405 119.9152 54.8963 30.6808 175.9338 86 L 4.1609 8.4998 121.8176 54.6988 42.4309 177.7473 87 K 4.2217 8.6132 122.3445 56.0181 32.8673 178.0019 88 A 4.0163 8.6229 122.5158 55.6048 18.1143 179.9829 89 N 4.0594 7.9780 114.4702 56.1504 38.5385 177.2967 90 F 3.7538 7.6812 118.5788 59.7450 39.1212 177.9175 91 K 3.9403 7.9932 118.3084 59.3848 31.7132 179.1508 92 Q 3.8359 8.4110 120.0252 58.9230 28.9132 177.6738 93 A 3.8869 7.7994 122.0078 55.6895 18.3272 179.6053 94 E 3.8470 8.1449 116.5345 59.3316 29.5424 179.4725 95 E 3.9209 7.7669 119.0006 59.3786 29.5342 179.4257 96 I 3.6328 8.0121 120.1352 64.3886 37.1667 178.4126 97 I 3.6406 7.8660 120.5607 64.4945 36.7692 178.3804 98 A 3.9199 7.9263 121.3912 54.9088 17.8954 179.7248 99 R 3.7703 7.4909 116.3433 59.5701 30.4769 178.4141 100 I 3.3709 7.5738 119.5529 64.4639 36.8639 178.3732 101 E 4.1686 8.0525 118.1922 58.7724 29.3373 178.5855 102 R 4.5171 7.5115 113.9713 55.6643 29.9873 175.7108 103 D 4.7775 7.6173 120.1795 52.6257 41.2994 175.4362 104 E 4.1812 9.0235 127.1973 59.8001 29.8535 178.3803 105 Y 4.2603 8.3153 117.9216 60.7917 39.0841 179.4483 106 F 4.1729 9.0656 123.1715 57.8023 38.5633 176.9150 *108 K 4.2051 8.1203 119.9603 56.2876 33.8655 176.6513 109 Y 3.8058 7.6010 116.9123 57.9908 37.1673 176.5456 *111 S 4.2854 8.1067 112.5189 57.5672 64.8881 173.6466 112 G 3.9133 7.6355 108.7913 45.3467 0.0000 173.5763 113 Q 4.2777 8.6768 118.5907 56.5043 29.9138 176.4789 114 K 4.8305 8.5896 121.3303 55.1581 34.0029 176.6284 115 Q 3.2399 8.0154 124.2183 56.8282 27.0173 174.7259 116 V 3.8147 7.2875 117.1462 62.3126 32.6414 175.1061 117 I 5.0360 7.7586 127.0987 59.6188 38.8422 174.9161 *119 T 4.2478 8.0392 117.7457 64.2744 69.9076 173.5748 120 G 4.1297 8.1997 108.6579 45.9857 0.0000 171.1122 121 E 5.4141 8.9382 120.4484 54.4025 32.3970 176.0039 122 L 4.0823 9.3230 125.7595 54.8665 45.9276 175.6065 123 F 4.4139 9.7443 121.3099 58.9019 36.8045 175.5328 124 G 3.9691 8.3907 112.2948 45.4855 0.0000 174.5350 125 A 4.8106 8.1152 121.1872 49.4630 21.9400 175.1634 126 K 4.8587 8.3012 118.5821 56.4629 33.1709 176.8036 127 W 5.2041 9.6960 122.8695 54.7782 33.4192 174.3622 128 K 5.0091 8.7954 119.4533 55.2609 35.3665 175.3738 129 I 4.8142 8.1040 113.7063 58.2691 41.4602 173.4147 130 K 5.2013 7.7525 122.5822 54.9331 35.4256 175.4619 *132 D 4.7983 8.7135 121.0862 53.8029 43.5658 175.9273 133 S 4.7759 8.1853 115.4024 57.1451 65.5490 171.6241 134 Y 5.2813 9.1150 129.7318 55.9373 41.2608 174.2947 135 I 4.2750 8.5362 128.5120 58.6294 38.9129 173.6897 136 P 3.7504 0.0000 0.0000 63.4949 31.5186 177.2741 137 G 3.9967 9.0061 110.1137 46.0306 0.0000 173.7153 138 V 4.3822 7.8577 110.5365 62.2632 34.6942 175.7455 139 A 4.8182 7.5801 118.2123 51.3270 22.7068 174.8570 140 I 4.9062 8.5588 120.8533 59.6223 40.0401 175.0627 141 V 4.8687 8.8430 126.8568 60.9507 34.8911 173.5438 142 D 5.3007 8.5664 126.6804 52.2909 43.9405 174.1689 143 L 4.8159 8.8367 128.7175 54.5219 43.2641 175.9970 144 K 4.6194 8.7533 124.3744 54.6399 36.0313 175.1917 145 V 5.1020 8.6459 123.9534 60.6363 32.8794 175.1181 *147 A 4.3730 8.6281 129.5657 51.9169 20.3353 177.0082 148 S 4.5718 7.4589 107.2044 57.1704 65.5420 173.7846 149 I 3.6681 8.3456 128.2479 63.8858 37.3928 177.3026 150 T 4.2516 7.7232 108.1544 63.0524 69.4154 174.8274 151 D 4.4184 7.7400 123.0143 54.4620 41.2074 175.5618 152 L 4.8844 8.2525 123.6375 53.4510 43.6630 176.0245 153 K 4.7308 8.5972 121.0009 54.0746 35.6419 175.3707 154 W 4.3921 9.0165 134.6893 57.2700 31.4959 175.1899 155 V 4.2543 7.3426 126.8805 60.2689 33.7326 174.7460 156 K 4.1354 8.4801 128.7077 57.8456 32.4366 176.6626 157 D 4.5694 8.8199 123.8614 54.9409 38.7745 173.8573 158 I 4.0227 7.2853 118.4132 61.6751 39.7421 175.6736 159 G 2.3547 7.4821 107.1166 43.2878 0.0000 171.2295 160 Y 4.7037 8.0096 118.3134 58.0604 38.7054 175.4191 161 L 4.8633 8.9879 126.5054 52.7714 45.5960 175.6466 162 D 4.9801 8.6180 125.1289 53.0155 40.6416 177.2079 163 F 4.5225 9.0611 114.7428 59.9705 37.8329 177.7395 164 V 3.4607 6.9492 118.2415 66.0537 31.2604 178.1870 165 R 3.9733 8.5129 118.1722 59.2247 29.5152 178.4479 166 Y 3.9893 8.2024 119.5048 59.8066 38.5097 177.1277 167 W 4.8769 8.1220 116.7540 55.5729 29.6572 176.4176 168 G 4.2371 7.6784 107.3362 47.1302 0.0000 175.5501 169 Y 4.6982 7.7161 118.4588 59.4325 37.9802 177.2476 170 D 4.3940 8.1088 120.8196 56.3172 39.6069 178.4245 171 I 3.6058 7.5473 120.7630 64.1529 37.2051 177.8685 172 Q 3.8745 8.2258 119.9242 59.2261 28.7014 178.6392 173 G 2.0000 7.3677 106.0777 47.1073 0.0000 175.3223 174 A 3.8593 7.5674 123.4227 54.7354 18.3121 180.0106 175 V 3.2140 7.5211 116.4176 66.2117 31.6935 177.4956 176 Y 4.1226 8.0297 116.5739 61.3514 37.7835 178.5360 177 Q 3.9844 8.1980 120.1427 59.4344 29.1537 178.3341 178 E 3.8545 7.9580 119.8382 59.2903 29.5326 178.8321 179 I 3.5827 7.9956 120.3048 64.2665 37.0659 178.4064 180 V 3.4616 7.6972 119.1241 66.1582 31.2899 178.0874 181 R 3.8441 7.9730 118.2157 59.4085 29.6801 178.2614 182 Q 4.1025 7.7831 116.5108 57.7868 28.8080 177.2917 183 N 4.6128 7.5722 116.9014 55.2012 39.3791 176.5946 184 T 4.3643 8.7152 115.8309 63.0899 69.6186 176.0890 185 G 4.0288 8.2480 108.5766 45.0897 0.0000 173.1503 186 E 4.2895 7.7941 118.9196 54.8834 30.4850 175.6946 187 K 4.2590 8.5747 125.5099 55.5268 31.8079 175.3164 188 L 4.9624 8.1287 126.4282 52.1938 43.8995 175.0958 189 P 4.5114 0.0000 0.0000 62.9221 33.1334 174.5419 190 F 5.3878 8.5424 122.9623 56.5321 42.2389 173.7121 191 F 5.2364 8.4564 124.0715 55.6527 42.6555 173.9852 192 I 4.4319 8.4777 123.8700 60.0614 39.2024 174.8833 193 A 4.2007 9.0058 130.4747 50.4237 19.2905 175.3157 194 G 4.3702 8.9116 108.4988 45.7245 0.0000 170.6027 195 A 5.7434 9.1184 124.4792 49.0275 22.8363 175.1150 196 T 4.7150 8.4116 109.6969 59.5675 71.8057 173.9681 197 K 4.2982 8.3465 120.3259 56.5297 32.0666 177.1316 198 Q 4.2181 7.6645 118.6010 55.7968 29.2880 176.4231 199 T 3.8718 8.3737 113.4523 64.2365 67.5265 173.8419 200 E 4.5199 7.8139 120.7457 53.5421 30.5040 173.7675 201 P 4.4138 0.0000 0.0000 62.7982 32.4061 175.6636 202 D 4.7197 9.2322 124.8669 53.7554 42.3580 174.8888 203 I 5.1732 8.3236 118.9717 59.4323 40.3248 174.9890 204 R 4.7964 8.9756 122.6484 55.0851 35.1667 173.9054 205 I 4.3652 8.2982 123.4992 60.1026 38.5007 175.0919 206 I 4.4684 8.6796 128.9391 59.5749 39.6122 174.4489 207 H 4.4802 9.0275 128.2691 55.7494 30.4395 174.7268 208 V 4.2413 8.3340 127.6105 61.5369 31.7851 175.8857 209 T 4.0986 8.4670 118.5663 61.1185 69.7386 175.4929 210 D 4.4553 8.5492 122.2660 57.0789 40.6093 178.6050 211 N 4.1756 8.0219 117.6394 56.1495 37.2136 176.7042 212 Y 4.2117 7.6440 118.3681 60.5727 38.0567 177.9093 213 L 4.0637 8.0764 121.9840 58.4643 41.7526 179.9906 214 Q 4.0289 8.3669 120.8970 60.4324 27.8421 180.4495 215 E 4.2110 7.8051 119.4857 58.9965 29.5034 178.9892 216 A 4.2091 7.7955 120.0206 54.7645 18.8906 179.1372 217 L 4.0906 8.1447 118.9797 58.1275 41.8127 178.8050 218 H 3.9089 7.6186 114.2505 56.7808 29.5335 175.9893 *220 V 4.2055 7.5763 118.7337 62.6375 32.7310 177.4087 221 E 2.6280 7.3074 116.8363 56.5919 29.6897 176.9039 *223 N 4.4703 7.9707 111.4745 52.3138 40.1350 173.9342 *225 P 4.3132 0.0000 0.0000 62.6651 34.1464 179.6163 226 R 3.8522 7.9973 117.1698 59.4909 29.9176 178.0600 227 I 3.2895 7.4626 118.9089 64.5789 37.0174 178.1810 228 L 3.8763 7.8489 118.8465 57.8894 41.3432 179.7685 229 R 3.8851 8.0120 117.8000 59.2363 30.1871 179.2781 230 V 3.7001 7.5657 117.8255 66.0177 31.3915 178.0265 231 K 4.0224 7.6694 117.6783 58.8443 31.9288 177.3444 232 N 4.8171 7.5852 115.1120 52.3290 38.6326 175.4185 233 G 3.9167 7.6647 107.2218 46.3786 0.0000 174.7703 234 E 4.2654 7.9203 121.3402 57.2032 30.1023 176.7570 235 V 4.5183 7.4041 111.9963 59.8327 35.7338 175.0214 236 E 4.2003 8.6583 119.1802 54.9680 30.1579 175.8950 237 P 4.7902 0.0000 0.0000 62.0588 32.2823 176.1471 238 D 4.6550 9.1661 122.6412 54.4483 41.1301 175.2059 239 R 5.0263 8.2304 119.9139 54.4874 31.8388 177.3594 240 C 4.1748 8.9002 118.5798 59.3131 30.0849 174.6104 241 E 4.0479 7.6159 115.2976 57.0391 27.0732 174.5547 242 L 4.6914 7.5534 115.1606 53.8264 43.2914 176.2068 243 C 4.7810 7.4782 114.4054 56.1102 33.5955 174.3553 244 D 4.3501 8.2982 120.1979 57.3872 40.3805 178.4750 245 C 2.4500 7.3856 118.6193 62.1298 31.2327 175.0571 246 C 4.0728 7.8763 116.1811 63.1996 27.6118 176.1055 247 R 4.0548 7.8023 119.3558 59.3754 29.4625 178.4006 248 H 4.1662 8.4599 117.5434 59.0978 29.9710 176.1531 249 N 4.7215 7.8848 115.0195 52.5256 39.2238 175.4268 250 R 3.9348 7.0908 121.4161 55.9487 30.7470 176.0540 251 V 4.2524 7.9366 123.1141 60.7719 33.2738 174.9302 252 L 4.2713 8.3819 127.7016 54.7456 42.1037 177.4035 253 K 4.6435 8.4068 118.9490 55.5836 34.5167 176.2941 254 K 4.6312 7.5840 116.1193 54.4076 35.2081 173.7510 255 P 4.3439 0.0000 0.0000 62.5879 31.9309 176.4645 256 I 4.2735 8.0204 115.6695 59.9931 39.3929 173.5462 257 S 4.7016 8.6281 113.6388 56.7933 66.1306 175.6167 258 I 4.3290 8.0121 120.6900 61.2178 35.6579 178.0706 *260 D 4.5957 8.1162 121.0827 54.4412 42.8432 177.6259 261 L 4.1289 7.4791 117.9224 57.2264 42.0653 177.8595 262 T 4.2977 7.8955 106.4876 60.7846 69.3404 174.2298 263 A 3.7639 7.8282 125.6765 54.6022 18.5048 177.7535 264 G 3.7715 8.7625 113.1951 46.0692 0.0000 174.0391 265 I 3.5348 7.1950 121.6765 59.7358 36.2941 176.7655 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 0 G 8.45 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 *2 Q 8.54 4.10 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 3 L 8.32 4.58 0.00 1.58 1.62 0.37 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 4 T 10.02 4.78 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 5 S 8.70 4.08 0.00 4.06 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 6 E 8.21 4.17 0.00 2.02 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 0.00 2.34 2.40 0.00 7 N 7.95 4.88 0.00 3.01 3.04 0.00 0.00 6.59 6.86 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 8 Y 8.00 3.95 0.00 3.03 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 9 Y 7.63 4.72 0.00 3.10 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 10 S 7.92 4.43 0.00 4.28 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 11 Q 8.65 4.01 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 12 E 8.19 4.03 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 13 A 7.98 4.08 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 14 N 8.06 4.46 0.00 2.86 2.89 0.00 0.00 7.09 7.30 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 15 K 7.63 4.09 0.00 1.68 1.82 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 16 E 7.96 3.89 0.00 1.91 1.48 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 1.64 2.06 0.00 17 Y 7.65 5.08 0.00 2.98 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 *19 S 8.28 4.48 0.00 4.22 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 20 V 8.61 4.03 2.45 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 1.26 0.00 0.00 1.28 0.00 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0.00 98 A 7.93 3.92 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 99 R 7.49 3.77 0.00 1.84 2.06 0.00 3.27 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 100 I 7.57 3.37 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.24 0.73 0.00 0.00 101 E 8.05 4.17 0.00 2.13 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 0.00 2.50 2.55 0.00 102 R 7.51 4.52 0.00 1.91 2.03 0.00 3.03 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 103 D 7.62 4.78 0.00 2.67 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 0.00 104 E 9.02 4.18 0.00 2.09 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 2.37 2.36 0.00 105 Y 8.32 4.26 0.00 2.94 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 0.00 106 F 9.07 4.17 0.00 3.23 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.30 4.86 0.00 1.71 1.92 0.00 1.54 0.00 0.00 1.28 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.40 7.81 127 W 9.70 5.20 0.00 3.14 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 0.00 128 K 8.80 5.01 0.00 1.58 1.21 0.00 0.61 0.00 0.00 1.22 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.24 7.81 129 I 8.10 4.81 0.92 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.86 0.86 0.00 0.00 130 K 7.75 5.20 0.00 0.79 1.30 0.00 1.24 0.00 0.00 1.16 0.00 0.00 2.23 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.21 0.90 7.81 *132 D 8.71 4.80 0.00 2.89 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 0.00 133 S 8.19 4.78 0.00 3.82 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 0.00 134 Y 9.11 5.28 0.00 2.99 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 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2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 178 E 7.96 3.85 0.00 2.01 1.96 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 1.99 2.13 0.00 179 I 8.00 3.58 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.82 0.00 0.00 180 V 7.70 3.46 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 1.00 0.00 0.00 0.76 0.00 0.00 181 R 7.97 3.84 0.00 2.05 2.04 0.00 3.12 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 182 Q 7.78 4.10 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 183 N 7.57 4.61 0.00 2.70 2.83 0.00 0.00 6.91 7.39 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 0.00 184 T 8.72 4.36 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 1.28 0.00 0.00 185 G 8.25 4.03 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 0.00 0.00 0.00 186 E 7.79 4.29 0.00 2.02 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 2.29 2.26 0.00 187 K 8.57 4.26 0.00 1.72 1.76 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 188 L 8.13 4.96 0.00 1.69 1.70 1.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 189 P 0.00 4.51 0.00 1.76 2.12 0.00 3.87 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.10 0.00 190 F 8.54 5.39 0.00 3.11 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 0.00 191 F 8.46 5.24 0.00 2.88 2.61 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 0.00 192 I 8.48 4.43 1.92 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 1.11 0.56 1.04 0.00 0.00 193 A 9.01 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.91 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 0.00 0.00 0.00 0.00 195 A 9.12 5.74 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 T 8.41 4.71 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 1.16 0.00 0.00 197 K 8.35 4.30 0.00 1.70 1.93 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 198 Q 7.66 4.22 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 199 T 8.37 3.87 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 1.19 0.00 0.00 200 E 7.81 4.52 0.00 1.95 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 2.20 2.22 0.00 201 P 0.00 4.41 0.00 1.87 2.14 0.00 3.63 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 202 D 9.23 4.72 0.00 2.91 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 5.17 1.96 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 1.39 0.99 0.79 0.00 0.00 204 R 8.98 4.80 0.00 1.80 1.85 0.00 3.32 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 205 I 8.30 4.37 1.63 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.33 -0.04 0.00 0.00 206 I 8.68 4.47 1.95 0.00 0.00 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 1.24 0.79 0.93 0.00 0.00 207 H 9.03 4.48 0.00 3.24 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 V 8.33 4.24 2.35 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 0.90 0.00 0.00 1.05 0.00 0.00 209 T 8.47 4.10 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 1.01 0.00 0.00 210 D 8.55 4.46 0.00 2.69 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 0.00 211 N 8.02 4.18 0.00 2.59 2.87 0.00 0.00 6.32 7.57 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 0.00 212 Y 7.64 4.21 0.00 3.20 2.98 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 0.00 213 L 8.08 4.06 0.00 1.82 1.67 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 214 Q 8.37 4.03 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 215 E 7.81 4.21 0.00 2.18 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 0.00 2.34 2.20 0.00 216 A 7.80 4.21 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 0.00 217 L 8.14 4.09 0.00 1.88 1.70 0.78 0.78 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 0.00 218 H 7.62 3.91 0.00 3.21 3.50 0.00 6.03 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *220 V 7.58 4.21 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 1.12 0.00 0.00 0.65 0.00 0.00 221 E 7.31 2.63 0.00 1.16 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 1.90 1.47 0.00 *223 N 7.97 4.47 0.00 3.08 2.91 0.00 0.00 6.99 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *225 P 0.00 4.31 0.00 2.19 2.12 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 226 R 8.00 3.85 0.00 1.90 2.06 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 227 I 7.46 3.29 1.79 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 1.35 0.76 0.39 0.00 0.00 228 L 7.85 3.88 0.00 1.78 1.69 1.00 0.86 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 0.00 229 R 8.01 3.89 0.00 2.02 1.95 0.00 3.11 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 230 V 7.57 3.70 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 1.15 0.00 0.00 1.08 0.00 0.00 231 K 7.67 4.02 0.00 1.51 1.65 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.46 7.81 232 N 7.59 4.82 0.00 2.70 2.79 0.00 0.00 7.00 7.55 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 0.00 233 G 7.66 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 0.00 234 E 7.92 4.27 0.00 1.90 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 2.27 2.26 0.00 235 V 7.40 4.52 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 0.73 0.00 0.00 0.93 0.00 0.00 236 E 8.66 4.20 0.00 1.99 1.75 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 2.23 1.87 0.00 237 P 0.00 4.79 0.00 2.34 2.26 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 238 D 9.17 4.65 0.00 2.68 2.62 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 0.00 239 R 8.23 5.03 0.00 1.58 1.64 0.00 2.85 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.25 0.00 240 C 8.90 4.17 0.00 3.07 3.34 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 0.00 241 E 7.62 4.05 0.00 2.07 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 2.35 2.34 0.00 242 L 7.55 4.69 0.00 1.57 1.60 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 243 C 7.48 4.78 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 D 8.30 4.35 0.00 2.89 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 0.00 245 C 7.39 2.45 0.00 1.47 2.46 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 0.00 246 C 7.88 4.07 0.00 3.08 2.94 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 0.00 247 R 7.80 4.05 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 248 H 8.46 4.17 0.00 3.32 3.49 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 N 7.88 4.72 0.00 3.05 2.99 0.00 0.00 7.01 7.69 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 0.00 250 R 7.09 3.93 0.00 1.87 1.79 0.00 3.17 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 251 V 7.94 4.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 252 L 8.38 4.27 0.00 1.66 1.57 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 253 K 8.41 4.64 0.00 1.92 1.76 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 0.96 7.81 254 K 7.58 4.63 0.00 1.80 1.71 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.41 7.81 255 P 0.00 4.34 0.00 2.19 2.09 0.00 3.75 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 1.98 1.94 0.00 256 I 8.02 4.27 1.97 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 1.46 0.61 0.90 0.00 0.00 257 S 8.63 4.70 0.00 3.97 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 0.00 258 I 8.01 4.33 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 0.75 0.91 0.00 0.00 *260 D 8.12 4.60 0.00 2.86 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 0.00 261 L 7.48 4.13 0.00 1.86 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 262 T 7.90 4.30 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 1.21 0.00 0.00 263 A 7.83 3.76 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 0.00 264 G 8.76 3.77 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 0.00 0.00 0.00 265 I 7.20 3.53 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 0.59 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.