NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 Q 4.3070 8.3293 121.7178 55.8956 30.2212 173.9831 24 R 4.3349 8.4630 122.0836 54.5606 30.9040 174.8334 25 G 4.1913 8.5045 110.2916 45.9646 0.0000 173.1441 26 L 4.5975 7.9845 118.7494 55.4117 43.9087 173.2364 27 T 5.0388 8.6464 115.9959 61.8608 71.4585 173.6204 28 I 4.6082 9.0853 127.6927 59.5542 39.3754 174.8313 29 W 5.0672 8.7647 135.0000 54.9406 31.2007 174.8308 30 L 4.9540 8.3293 128.4721 54.4673 42.7327 176.2149 31 T 5.2940 9.1989 116.7027 58.6763 71.6785 173.0798 32 G 4.6000 8.0638 115.4381 44.8005 0.0000 171.8020 33 L 4.2388 7.3550 119.8196 54.0300 42.2353 177.0790 34 S 4.1935 8.2844 115.0250 59.9589 62.6240 174.0292 35 A 3.8477 8.8883 128.4641 52.8897 15.7117 178.7613 36 S 4.1582 7.9483 113.8430 60.6209 63.5526 175.3396 37 G 4.1355 8.4488 110.0010 45.5325 0.0000 175.4218 38 K 3.8181 8.3565 120.4376 59.4959 31.9387 179.0105 39 S 3.9578 7.8714 112.6138 61.5972 62.4736 176.0553 40 T 3.7889 7.7716 117.9975 66.4862 68.1404 176.1945 41 L 3.8994 8.0129 121.9837 58.0276 42.0453 178.8020 42 A 3.8942 8.1810 121.1863 55.0680 18.2789 179.7493 43 V 3.4371 7.9765 117.0181 66.2153 31.5398 177.9763 44 E 3.9557 8.0368 118.6087 58.8729 29.3400 178.4903 45 L 3.9074 8.2169 120.9330 58.0543 42.1230 178.5182 46 E 3.8722 8.3844 119.5407 59.4763 29.5924 178.0186 47 H 4.0797 8.2617 118.1695 59.6748 29.8483 177.2239 48 Q 3.9791 8.3783 119.8701 58.7784 28.5180 178.7413 49 L 3.9732 8.1740 120.3095 57.7165 41.6726 179.8041 50 V 3.8027 8.3049 119.9704 65.5053 31.3433 178.3408 51 R 3.8849 7.7405 114.4158 59.2623 29.7787 177.8551 52 D 4.5772 8.5349 119.3992 54.9806 41.0089 177.9367 53 R 4.4301 7.7552 117.6646 55.5287 31.5943 176.6313 *54 R 3.8566 7.6185 114.7138 57.2896 26.8865 182.0165 55 V 4.3830 7.5126 111.2113 60.8878 34.1690 174.3251 56 H 5.0475 8.6184 117.4628 54.7796 30.2627 174.7027 57 A 5.2238 8.4783 122.9337 50.7813 22.5383 174.6214 58 Y 4.8984 8.9298 120.4786 56.0782 42.7359 173.9778 59 R 4.6624 7.6267 124.6829 54.7311 32.0499 175.4556 60 L 4.7930 8.6064 124.3176 53.1399 44.4423 175.5366 61 D 3.7309 9.6153 122.8773 50.9973 42.9373 176.0944 62 G 3.8942 8.5904 103.9708 48.4432 0.0000 175.2964 63 D 4.3485 8.1968 119.9838 56.5109 41.0363 177.5445 64 N 4.8407 8.2059 113.9875 52.9037 38.1636 175.1339 65 I 4.3880 7.7361 121.1116 63.4326 39.2529 177.8278 66 R 4.1235 8.4647 117.5583 57.6713 30.0336 177.7021 67 F 4.7371 8.4934 115.3334 56.9443 41.5107 175.6122 68 G 4.0118 8.2215 106.9777 45.5694 0.0000 174.5072 69 L 3.9454 9.5607 120.7192 57.9380 42.9213 177.0146 70 N 5.1549 8.2799 114.2306 52.0738 38.8403 176.7856 71 K 4.4598 8.1298 121.1768 58.2679 32.6337 177.1571 72 D 4.5932 8.0207 116.8324 53.9025 39.9993 175.4462 73 L 4.9806 7.7801 120.3585 53.0955 44.7417 177.0413 74 G 4.0603 8.8248 111.9703 45.8724 0.0000 174.5128 75 F 4.7185 8.6770 124.5035 56.9162 39.9711 176.1039 76 S 4.4315 7.8685 116.9189 57.9686 64.6568 174.4732 77 E 4.0498 8.8416 122.6337 59.7100 29.3476 178.8903 78 A 3.9282 7.9573 120.0450 55.4117 18.4825 179.2136 79 D 4.3341 8.2213 117.2501 57.2929 40.8590 179.2121 80 R 4.0861 8.2826 119.1506 58.9712 30.0576 178.6345 81 N 4.9822 8.4099 118.0912 55.9485 38.5602 177.0824 82 E 3.9148 8.2448 120.6525 58.9181 29.6429 178.0907 83 N 4.1674 8.5297 117.6518 57.0348 38.9582 176.9951 84 I 3.8237 7.8898 120.9698 64.0672 37.2095 178.4102 85 R 3.8923 8.1825 119.7654 59.5952 29.9001 178.8516 86 R 3.9415 8.0994 117.7275 59.3592 30.0769 179.1235 87 I 3.6956 7.9773 119.4762 64.3508 37.0595 178.3529 88 A 4.5570 8.6870 122.0381 55.4306 18.2375 179.5894 89 E 4.0019 8.3267 117.0942 59.4634 29.5245 179.7839 90 V 3.7166 8.2751 118.3692 65.9310 31.5705 177.9200 91 A 4.3241 8.8289 121.0989 55.1990 18.2709 179.5003 92 K 3.9170 8.4637 118.1666 59.5532 32.2191 179.0510 93 L 3.9702 7.9459 119.2778 57.8629 41.5596 179.5090 94 F 3.8719 8.4762 117.4639 60.4347 38.8796 177.6350 95 A 4.6685 8.6175 122.2062 54.8357 17.9977 179.1949 96 D 4.3589 8.5592 116.1673 57.1162 41.3523 177.7821 97 S 4.3245 7.7123 112.2839 58.4974 63.2975 173.9505 98 N 4.4989 8.1421 118.9078 54.3668 36.2189 173.6961 99 S 5.0438 8.0621 112.1260 56.7484 66.0995 172.6831 100 I 4.8134 8.5953 124.1255 59.9578 38.4422 174.9343 101 A 4.8254 9.0352 130.4819 51.1092 20.5131 175.8474 102 I 4.8549 8.6670 123.8274 59.7129 39.9507 174.7235 103 T 4.8876 8.6468 118.4218 59.9783 71.2656 173.9984 104 S 4.7054 7.9117 118.5022 56.1222 62.6786 172.5593 105 F 4.7211 8.0948 125.4626 56.1067 42.9830 175.4035 106 I 4.1995 9.3069 122.9469 62.8956 37.8010 175.9319 107 S 4.0775 8.2734 112.1295 59.0063 61.3926 170.0398 108 P 4.0795 0.0000 0.0000 65.1633 32.4819 176.2713 109 Y 5.0310 7.5913 118.3312 56.3037 39.4797 176.2793 110 R 3.8781 9.1746 123.6609 59.2691 29.3894 178.9204 111 K 3.8660 8.0370 119.7547 59.4641 32.3343 178.3689 112 D 4.3040 8.0474 118.6650 57.2060 40.7727 178.7891 113 R 3.5764 7.9082 118.5336 59.1081 29.9314 178.8112 114 D 4.1140 8.3411 119.2179 57.3927 40.7369 178.9101 115 T 3.7152 8.0441 116.4124 66.3377 68.2714 176.5192 116 A 3.7490 7.7516 122.7561 54.9423 18.2763 179.6127 117 R 2.0000 7.0814 117.2235 59.1078 29.9614 178.7352 118 Q 3.8893 7.9818 118.1321 58.8077 28.4323 178.4222 119 L 3.8576 7.6505 120.4292 58.4247 42.2662 178.6543 120 H 4.3739 7.8170 115.9937 58.9304 28.9576 177.7021 121 E 4.2144 8.6955 123.2008 59.3227 30.2278 178.7538 122 V 3.9845 7.7609 117.9653 59.5227 30.3848 177.6345 *130 G 3.9247 7.3225 110.6470 45.6309 0.0000 170.4219 131 L 4.8724 8.3739 119.1668 51.8906 44.1248 175.5327 132 P 4.4793 0.0000 0.0000 62.7188 32.7848 175.2433 133 F 5.0055 8.8067 124.6553 56.6996 41.9402 174.4758 134 V 4.2441 8.7673 128.6083 61.2072 32.8477 173.8780 135 E 4.7068 9.5946 130.9990 55.4663 31.1534 175.0915 136 V 4.5894 9.0827 127.7419 61.3030 34.0146 173.9297 137 Y 5.1135 9.2162 131.5088 57.1561 39.1808 174.7329 138 V 4.1268 9.1738 129.7123 61.8966 32.0781 173.3521 139 D 4.6371 8.7095 128.2725 52.3932 42.3130 175.3420 140 V 5.1368 8.0787 118.5629 58.6957 35.9557 174.0581 141 P 4.4368 0.0000 0.0000 62.1415 32.4513 177.2921 142 V 3.5556 8.5101 118.8851 66.5163 31.1552 177.9774 143 E 3.8525 8.1102 117.5250 59.5131 29.4319 179.5006 144 V 3.4364 7.5277 117.2985 65.8901 31.5719 177.9563 145 A 3.8642 7.6999 120.0671 55.0787 18.0299 179.0778 146 E 3.1465 7.9059 117.1585 59.0122 29.6937 178.6603 147 Q 4.0931 7.6543 117.0646 58.0555 28.8577 178.3859 148 R 3.8204 7.6789 118.5890 59.0648 31.8584 177.0490 149 D 4.4238 8.4015 116.6271 54.5706 39.6720 172.9987 150 P 4.3001 0.0000 0.0000 65.1583 31.6890 177.9926 151 K 4.3417 8.1080 115.9655 55.5106 32.7962 177.1332 152 G 3.9209 8.2537 107.2749 46.4611 0.0000 176.1066 153 L 3.7380 7.3920 122.5328 57.5053 41.3182 179.0267 154 Y 3.3711 8.6120 117.2268 60.5504 37.7957 178.3832 155 K 3.8988 8.1604 120.2074 59.5091 32.3265 178.9981 156 K 3.8821 7.8715 118.4970 59.3133 31.9103 179.2052 157 A 4.2534 7.7979 122.6984 54.7455 18.0377 179.9347 158 R 3.9282 8.0192 115.8378 59.1728 30.2277 178.4068 159 E 4.2727 8.0326 116.0102 56.4396 29.7482 177.6949 160 G 3.9190 7.7034 107.2941 45.6230 0.0000 174.9031 161 V 3.6894 7.8521 120.8069 64.4232 31.8139 176.3429 162 I 4.4092 7.4668 120.7740 59.1934 38.8917 175.1695 163 K 4.2722 8.5942 124.7289 56.2666 33.6290 176.2908 164 E 4.2259 8.4281 117.7277 56.2384 26.9641 175.1255 165 F 4.4344 8.4602 121.0990 56.2775 40.9597 174.9298 166 T 4.0118 7.5493 124.5957 65.6235 68.5044 174.1097 167 G 4.1815 9.3274 115.5966 45.1914 0.0000 173.7066 168 I 4.4751 7.8162 117.3490 62.6143 39.5255 176.8141 169 S 4.9086 8.7727 112.3286 57.6006 64.9168 172.8925 170 A 5.0419 7.8566 120.3632 50.5627 22.3980 174.6972 171 P 4.7274 0.0000 0.0000 62.7048 32.8391 175.1588 172 Y 4.3771 8.3814 121.6707 56.0119 41.5988 174.4625 173 E 4.2420 8.2565 128.2787 54.3116 29.0488 176.2301 174 A 3.7261 7.9750 127.1576 50.7493 19.1596 175.4140 175 P 4.1830 0.0000 0.0000 62.6677 32.0325 176.6420 176 A 4.1454 8.4604 124.3907 54.6521 19.3492 177.6836 177 N 5.0939 7.6053 110.8780 51.4741 39.3631 172.8550 178 P 4.6378 0.0000 0.0000 62.6443 32.7125 177.0160 179 E 3.9924 8.6934 119.9181 58.8238 30.1784 177.6033 180 V 4.3005 7.9032 118.5886 61.0994 35.2344 174.0403 181 H 5.3039 8.9685 126.9735 54.6426 31.8316 172.6349 182 V 3.9883 8.6253 127.5374 61.3728 32.9873 175.2616 183 K 4.1993 8.2782 128.6708 54.7613 30.7883 176.4711 184 N 4.7094 8.2899 130.7507 53.1084 37.7213 174.1555 185 Y 4.7559 6.4058 114.9843 56.3670 41.7742 174.8775 186 E 3.7923 8.9943 119.8498 56.8854 27.3052 175.3279 187 L 4.5229 7.4221 117.6501 52.6424 45.5635 173.4716 188 P 4.3376 0.0000 0.0000 62.3914 32.1105 177.4610 189 V 3.5796 8.4943 121.4084 66.4341 31.2602 178.4776 190 Q 3.9759 8.0096 117.1164 58.7835 28.5574 178.2423 191 D 4.3032 8.0775 120.1284 57.0220 40.8288 178.5739 192 A 3.9256 7.8216 120.9086 55.1666 18.4575 179.7143 193 V 3.5414 8.0350 117.0847 65.9276 31.5411 178.0696 194 K 3.9315 8.2966 119.6449 59.5367 32.0739 178.4603 195 Q 4.0041 8.1575 119.8183 59.1920 28.8924 178.5189 196 I 3.8148 7.5721 120.3265 64.5294 37.2338 178.4516 197 I 3.7623 8.1770 121.0676 64.5090 36.9572 178.1334 198 D 4.3772 8.5670 120.1557 57.5168 40.6767 178.2907 199 Y 3.9703 7.9589 119.3662 60.7821 38.8564 178.0225 200 L 4.0984 8.2502 119.9131 58.1178 41.6973 179.3960 201 D 4.3139 8.2539 118.9949 57.3437 40.5230 178.7943 202 T 3.7713 7.4013 109.2300 63.8102 68.6806 175.5723 203 K 3.9946 6.7378 117.7232 54.9451 32.4579 176.7001 204 G 3.8247 7.5029 107.1611 46.7252 0.0000 174.6800 205 Y 4.6042 7.6229 117.8028 58.9847 38.2286 175.7737 206 L 4.9125 7.4798 118.5372 51.8383 44.9460 174.3874 207 P 4.4534 0.0000 0.0000 61.8603 32.0241 176.4245 208 A 4.1370 8.2500 122.7001 52.0387 18.8616 177.5128 209 K 4.1825 8.3083 121.5408 56.2504 32.9225 176.9912 210 K 4.2129 8.5413 126.5386 56.5774 32.9447 177.0000 211 E 4.2975 8.5985 121.5656 56.5662 29.3113 176.1382 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 23 Q 8.33 4.31 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 24 R 8.46 4.33 0.00 1.94 1.95 0.00 3.27 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 25 G 8.50 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.98 4.60 0.00 1.64 1.50 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.65 5.04 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 1.35 0.00 0.00 28 I 9.09 4.61 1.84 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 1.14 0.77 0.91 0.00 0.00 29 W 8.76 5.07 0.00 2.80 2.51 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 30 L 8.33 4.95 0.00 1.59 1.52 0.85 0.23 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 31 T 9.20 5.29 4.71 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 1.53 0.00 0.00 32 G 8.06 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.36 4.24 0.00 1.66 1.64 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.28 4.19 0.00 3.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.89 3.85 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 36 S 7.95 4.16 0.00 4.05 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 37 G 8.45 4.14 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 0.00 0.00 0.00 38 K 8.36 3.82 0.00 1.70 1.75 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.47 7.81 39 S 7.87 3.96 0.00 3.75 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 40 T 7.77 3.79 4.34 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 1.17 0.00 0.00 41 L 8.01 3.90 0.00 1.84 1.87 0.89 0.95 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 42 A 8.18 3.89 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 43 V 7.98 3.44 2.15 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 0.93 0.00 0.00 0.90 0.00 0.00 44 E 8.04 3.96 0.00 2.12 1.90 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 2.29 2.35 0.00 45 L 8.22 3.91 0.00 1.83 1.83 0.94 0.89 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 46 E 8.38 3.87 0.00 2.00 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 2.31 2.31 0.00 47 H 8.26 4.08 0.00 3.32 3.46 0.00 5.64 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 48 Q 8.38 3.98 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 49 L 8.17 3.97 0.00 1.83 1.73 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.30 3.80 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 1.08 0.00 0.00 1.05 0.00 0.00 51 R 7.74 3.88 0.00 1.94 1.90 0.00 3.06 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 52 D 8.53 4.58 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.76 4.43 0.00 1.97 1.95 0.00 3.69 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 *54 R 7.62 3.86 0.00 1.98 1.87 0.00 3.24 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 55 V 7.51 4.38 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 0.97 0.00 0.00 0.98 0.00 0.00 56 H 8.62 5.05 0.00 3.15 3.29 0.00 5.58 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 57 A 8.48 5.22 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.93 4.90 0.00 2.92 2.34 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 59 R 7.63 4.66 0.00 1.32 1.53 0.00 3.05 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 60 L 8.61 4.79 0.00 1.63 1.75 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 D 9.62 3.73 0.00 2.34 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 62 G 8.59 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 63 D 8.20 4.35 0.00 2.76 2.63 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 64 N 8.21 4.84 0.00 2.99 2.94 0.00 0.00 6.91 7.76 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 65 I 7.74 4.39 2.30 0.00 0.00 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0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.82 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.68 4.72 0.00 3.11 3.11 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 76 S 7.87 4.43 0.00 4.08 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 77 E 8.84 4.05 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 2.14 1.95 0.00 78 A 7.96 3.93 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 79 D 8.22 4.33 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.28 4.09 0.00 2.22 2.17 0.00 3.39 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 81 N 8.41 4.98 0.00 2.87 2.82 0.00 0.00 6.38 8.46 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 82 E 8.24 3.91 0.00 2.06 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 2.27 2.32 0.00 83 N 8.53 4.17 0.00 2.85 2.93 0.00 0.00 7.21 7.73 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 84 I 7.89 3.82 1.99 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 1.72 1.04 1.19 0.00 0.00 85 R 8.18 3.89 0.00 1.99 2.05 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 86 R 8.10 3.94 0.00 2.01 1.97 0.00 3.38 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 87 I 7.98 3.70 1.77 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 1.01 0.35 0.72 0.00 0.00 88 A 8.69 4.56 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 0.00 0.00 0.00 0.00 0.00 89 E 8.33 4.00 0.00 2.23 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 2.50 2.48 0.00 90 V 8.28 3.72 2.37 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 1.36 0.00 0.00 1.09 0.00 0.00 91 A 8.83 4.32 1.71 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 92 K 8.46 3.92 0.00 1.66 2.01 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 93 L 7.95 3.97 0.00 1.89 1.54 0.91 1.06 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 94 F 8.48 3.87 0.00 3.39 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 95 A 8.62 4.67 1.52 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 0.00 0.00 96 D 8.56 4.36 0.00 2.70 2.87 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 0.00 0.00 0.00 97 S 7.71 4.32 0.00 3.99 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 98 N 8.14 4.50 0.00 2.95 3.28 0.00 0.00 6.70 7.12 0.00 0.00 0.00 0.00 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1.91 1.06 0.00 0.00 107 S 8.27 4.08 0.00 4.53 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 0.00 108 P 0.00 4.08 0.00 1.92 2.34 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.84 0.00 109 Y 7.59 5.03 0.00 3.20 2.87 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 0.00 0.00 0.00 110 R 9.17 3.88 0.00 1.94 2.09 0.00 2.74 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 111 K 8.04 3.87 0.00 1.81 1.81 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 112 D 8.05 4.30 0.00 2.95 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 0.00 113 R 7.91 3.58 0.00 1.91 1.79 0.00 3.36 0.00 0.00 3.57 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 114 D 8.34 4.11 0.00 2.68 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 0.00 115 T 8.04 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0.00 2.22 2.21 0.00 147 Q 7.65 4.09 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 148 R 7.68 3.82 0.00 1.94 1.95 0.00 3.29 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 149 D 8.40 4.42 0.00 3.00 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 0.00 150 P 0.00 4.30 0.00 2.23 2.19 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 151 K 8.11 4.34 0.00 1.84 1.84 0.00 1.80 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.42 7.81 152 G 8.25 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 0.00 153 L 7.39 3.74 0.00 1.51 1.13 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 8.61 3.37 0.00 3.23 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 0.00 155 K 8.16 3.90 0.00 1.85 1.92 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.46 7.81 156 K 7.87 3.88 0.00 1.79 1.72 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.55 7.81 157 A 7.80 4.25 1.05 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 0.00 0.00 158 R 8.02 3.93 0.00 1.91 2.01 0.00 3.35 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 159 E 8.03 4.27 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 160 G 7.70 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 0.00 161 V 7.85 3.69 2.15 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 0.76 0.00 0.00 0.90 0.00 0.00 162 I 7.47 4.41 1.70 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 1.36 0.75 0.95 0.00 0.00 163 K 8.59 4.27 0.00 1.78 1.77 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 164 E 8.43 4.23 0.00 2.12 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 2.28 0.00 165 F 8.46 4.43 0.00 2.98 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 0.00 166 T 7.55 4.01 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 1.24 0.00 0.00 167 G 9.33 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.82 4.48 2.17 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 1.79 1.18 0.98 0.00 0.00 169 S 8.77 4.91 0.00 3.84 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 0.00 170 A 7.86 5.04 1.20 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 0.00 0.00 171 P 0.00 4.73 0.00 2.04 2.08 0.00 3.73 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 1.87 2.08 0.00 172 Y 8.38 4.38 0.00 3.09 2.91 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 0.00 173 E 8.26 4.24 0.00 1.84 1.76 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 2.21 2.13 0.00 174 A 7.97 3.73 1.16 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 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.18 0.00 2.10 2.12 0.00 2.44 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 176 A 8.46 4.15 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 0.00 177 N 7.61 5.09 0.00 2.66 2.73 0.00 0.00 6.91 8.02 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 0.00 178 P 0.00 4.64 0.00 2.46 2.13 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 179 E 8.69 3.99 0.00 1.74 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 180 V 7.90 4.30 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 0.99 0.00 0.00 0.63 0.00 0.00 181 H 8.97 5.30 0.00 3.19 3.20 0.00 5.78 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.63 3.99 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 0.91 0.00 0.00 0.89 0.00 0.00 183 K 8.28 4.20 0.00 1.27 1.05 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.09 7.81 184 N 8.29 4.71 0.00 2.61 2.72 0.00 0.00 6.86 7.06 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 0.00 185 Y 6.41 4.76 0.00 2.99 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 0.00 186 E 8.99 3.79 0.00 2.16 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 0.00 2.27 2.37 0.00 187 L 7.42 4.52 0.00 1.46 1.34 0.81 0.99 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 0.00 188 P 0.00 4.34 0.00 2.18 1.93 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 189 V 8.49 3.58 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 1.12 0.00 0.00 0.90 0.00 0.00 190 Q 8.01 3.98 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 191 D 8.08 4.30 0.00 2.90 2.66 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 0.00 192 A 7.82 3.93 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 0.00 193 V 8.04 3.54 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 1.10 0.00 0.00 0.95 0.00 0.00 194 K 8.30 3.93 0.00 1.92 1.93 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.45 7.81 195 Q 8.16 4.00 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 196 I 7.57 3.81 2.04 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 1.54 0.55 0.98 0.00 0.00 197 I 8.18 3.76 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 1.55 0.88 0.93 0.00 0.00 198 D 8.57 4.38 0.00 2.90 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 0.00 199 Y 7.96 3.97 0.00 3.18 3.25 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 0.00 200 L 8.25 4.10 0.00 1.96 1.87 1.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.25 4.31 0.00 2.80 2.65 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 0.00 202 T 7.40 3.77 4.09 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 0.00 0.00 1.22 0.00 0.00 203 K 6.74 3.99 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.44 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.54 0.92 7.81 204 G 7.50 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 0.00 205 Y 7.62 4.60 0.00 3.02 2.91 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 0.00 206 L 7.48 4.91 0.00 1.76 1.57 1.02 1.10 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 0.00 207 P 0.00 4.45 0.00 2.05 2.00 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 208 A 8.25 4.14 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 0.00 209 K 8.31 4.18 0.00 1.78 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.47 7.81 210 K 8.54 4.21 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.42 7.81 211 E 8.60 4.30 0.00 1.84 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 2.25 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.