NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4628 8.3349 115.4121 58.2548 64.3642 172.7084 4 M 4.5438 8.4092 121.3999 53.1287 34.5836 173.6325 5 A 4.7525 8.9465 125.5240 49.8954 23.5799 175.4333 6 L 4.0459 8.4646 119.8037 54.5744 42.1783 178.0900 7 G 3.8288 8.4613 111.8927 44.5677 0.0000 171.3822 8 P 4.4139 0.0000 0.0000 61.8865 32.0025 176.2533 9 F 3.9918 8.6129 122.4452 57.3783 39.9103 173.1165 10 P 4.0749 0.0000 0.0000 63.4039 31.5871 175.3027 11 A 3.0091 8.0698 123.4525 50.7889 22.4277 176.8212 12 M 4.1589 8.2378 119.0430 58.7163 32.0148 178.5203 13 E 4.0947 8.0196 116.9127 58.2070 29.7803 176.9673 14 N 4.9427 7.9793 113.5183 52.0290 38.1872 173.9673 15 Q 4.4462 7.5409 119.0855 54.7177 32.1570 173.8662 16 V 3.7699 8.3634 125.3257 62.5523 32.4284 174.5482 17 L 4.5808 8.3477 129.0636 53.8758 44.0052 174.8506 18 V 4.6397 8.2027 125.3025 61.1194 34.4606 173.7633 19 I 4.4877 8.4199 129.1029 59.5860 39.4229 174.5235 20 R 4.8745 8.8168 128.7271 54.9483 31.6461 175.2232 21 I 4.3819 8.7944 129.5606 60.1610 38.3622 175.6867 22 K 4.5451 8.4221 128.8150 55.3892 32.4981 176.7017 23 I 4.3090 8.6459 127.6073 59.0950 38.9537 174.2073 24 P 4.3532 0.0000 0.0000 64.3667 31.4395 175.5495 25 N 4.3491 9.1043 118.9408 54.1899 36.1223 175.0514 26 S 4.5216 8.4094 111.8908 57.2405 66.1541 173.6894 27 G 3.8051 8.6995 105.1529 43.6210 0.0000 171.7444 28 A 5.2091 8.1175 118.6334 50.1287 22.6652 176.1487 29 V 4.3863 8.5092 119.1906 61.1303 34.8497 174.1275 30 D 5.2541 8.7429 127.0287 52.6334 42.3927 175.5970 31 W 4.8159 9.3018 135.0000 56.1425 32.1930 175.2090 32 T 4.5354 8.6381 125.3708 62.7161 68.5621 174.7855 33 V 3.5252 8.3257 130.6336 63.2075 31.8313 176.4989 *34 H 4.2521 9.0739 127.2481 57.7762 28.4455 174.1406 *38 Q 4.1688 7.6481 116.4786 54.2452 29.3603 175.8342 39 L 4.4840 8.3957 122.6342 53.7751 43.1621 175.9850 40 L 4.9903 8.6209 126.0246 52.9395 44.1527 177.1341 41 F 4.4584 10.2413 124.8279 62.1374 39.2824 178.1948 42 R 3.7979 8.1858 116.6509 59.1211 29.8671 178.6755 43 D 4.3909 8.1758 119.0911 57.1502 40.7549 178.9217 44 V 3.7425 7.8002 118.3069 66.1052 31.6355 177.8094 45 L 3.8993 7.7079 118.6871 57.9119 41.2437 179.3278 46 D 4.2369 7.9950 118.7029 57.3105 40.7468 179.0621 47 V 3.2057 7.3503 118.5136 65.7918 31.3913 177.9575 48 I 3.6691 7.7303 119.8094 64.5098 36.8415 178.6657 49 G 3.6214 8.3282 106.5342 47.6216 0.0000 175.8462 50 Q 3.9402 7.3621 119.7239 58.9054 28.9598 178.5197 51 V 3.8442 7.5059 111.3945 62.1231 32.8472 176.2085 52 L 4.7906 7.7414 120.2672 52.8435 41.5655 175.1447 53 P 4.6475 0.0000 0.0000 64.2977 32.1639 177.7657 54 E 4.4461 8.1282 116.3842 55.7830 29.8923 175.0797 55 A 4.7867 7.4542 121.1818 50.4777 21.3875 176.1643 56 T 4.4596 8.2670 117.0936 62.2244 69.8537 174.1509 57 T 4.9326 8.4981 123.2380 62.1329 70.6343 173.7658 58 T 4.6138 8.4239 115.6435 62.0068 70.4047 173.4956 59 A 4.9378 8.0222 123.5084 51.6412 23.5951 174.5331 60 F 5.5560 8.2146 111.5038 56.0051 41.9394 173.3881 61 E 5.6248 9.7996 119.0819 54.9107 33.0594 174.7373 62 Y 5.5860 8.9121 119.4744 55.5622 42.3279 173.6066 63 E 5.0270 9.1772 119.4878 55.2247 31.2464 176.3402 64 D 4.4516 8.4274 124.9091 51.6653 41.8637 176.6464 65 E 4.1568 7.9751 115.2252 58.9265 29.5507 177.2559 66 D 4.4693 8.1986 117.0860 54.1059 41.2998 177.0049 67 G 3.9186 8.2114 107.4874 45.8248 0.0000 173.3877 68 D 4.6096 8.0910 119.7032 53.4801 42.4050 175.9846 69 R 4.4810 8.3985 121.5839 56.0737 30.9877 175.7936 70 I 4.2346 8.7440 125.9689 59.6712 39.4032 174.9435 71 T 4.7039 8.3917 124.0257 62.6077 69.7584 174.2368 72 V 4.3837 8.8396 126.2397 61.1805 33.5321 175.9520 73 R 4.2301 8.7067 124.7212 54.8296 31.9601 175.2654 74 S 4.1262 6.4703 112.3086 55.9377 66.9949 174.6850 75 D 4.4119 8.5363 121.9795 57.4641 40.5176 178.5861 76 E 3.9430 8.1175 119.3640 59.4617 29.6652 178.6727 77 E 4.0439 8.0752 118.2202 59.4423 29.3950 179.0350 78 M 4.1478 8.2486 119.0245 58.3299 32.0273 178.6179 79 K 3.9313 8.2896 119.3922 59.6167 32.3896 178.7205 80 A 4.0612 7.9212 120.5965 55.1472 18.1812 179.2005 81 M 3.6077 8.2178 116.7418 58.8483 32.2673 178.3979 82 L 4.0878 8.1780 119.2665 57.8751 41.7926 179.4951 83 S 4.2254 8.4120 113.0917 61.6014 62.3488 175.6669 84 Y 4.1314 8.1419 122.1362 60.8195 38.5944 177.1501 85 Y 3.8960 8.3064 120.7629 61.0942 38.8587 177.9456 86 Y 3.8287 8.3970 117.6444 60.6776 37.8717 178.4658 87 S 4.4396 8.2334 116.8768 61.9602 62.8641 176.8158 88 T 3.7471 7.3518 112.3411 64.5247 68.3325 176.8249 89 V 3.2684 7.2239 121.0734 65.8344 31.5211 177.6317 90 M 3.9797 7.9876 118.0118 58.5461 32.0089 177.7212 91 E 3.8973 8.1171 119.3718 59.4113 29.7424 178.8454 92 Q 3.9307 8.2553 118.2698 58.9801 28.6450 178.5175 93 Q 3.9478 8.2825 119.4536 59.4352 28.6048 179.8935 94 V 3.7103 7.5896 111.5065 63.7646 31.5656 177.3265 95 N 4.8408 7.9201 114.5694 52.1193 38.5944 175.0825 96 G 3.9359 7.5623 107.7626 46.7167 0.0000 174.3575 97 Q 4.4676 8.0648 119.9991 54.3549 30.4932 176.4922 98 L 4.1921 8.0666 119.8757 53.8503 41.6716 177.9661 99 I 4.1550 8.1248 123.6509 60.3938 37.0927 175.9475 100 E 4.2225 8.6822 126.4317 55.1552 29.9948 175.2982 101 P 4.5639 0.0000 0.0000 62.3939 32.9682 175.4029 102 L 3.7744 8.0917 123.1570 54.6410 42.7138 175.0986 103 Q 4.9222 8.5899 128.5085 54.6898 30.1739 174.5008 104 I 4.9987 8.3732 119.3810 59.0831 41.7499 174.4482 105 F 5.0370 9.2127 121.3327 55.0463 41.9520 173.1415 106 P 5.0347 0.0000 0.0000 62.8358 32.2244 176.0304 107 R 4.7235 9.1375 121.9872 54.1380 33.7735 175.0804 108 A 4.6752 8.7969 126.8725 52.1043 18.3411 177.0616 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 3 S 8.33 4.46 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 4 M 8.41 4.54 0.00 2.06 1.97 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 2.48 2.54 0.00 5 A 8.95 4.75 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 6 L 8.46 4.05 0.00 1.66 1.64 0.94 0.89 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 7 G 8.46 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 8 P 0.00 4.41 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 9 F 8.61 3.99 0.00 2.99 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.07 0.00 1.82 2.02 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 11 A 8.07 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.24 4.16 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.71 0.00 13 E 8.02 4.09 0.00 1.88 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 2.29 2.32 0.00 14 N 7.98 4.94 0.00 2.69 2.79 0.00 0.00 6.66 7.23 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 15 Q 7.54 4.45 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 16 V 8.36 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 0.79 0.00 0.00 0.92 0.00 0.00 17 L 8.35 4.58 0.00 1.90 1.40 0.59 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.20 4.64 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 1.03 0.00 0.00 0.89 0.00 0.00 19 I 8.42 4.49 1.73 0.00 0.00 0.36 0.00 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 0.82 0.00 0.00 20 R 8.82 4.87 0.00 1.82 1.70 0.00 3.10 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 21 I 8.79 4.38 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.85 0.00 0.00 22 K 8.42 4.55 0.00 1.27 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.08 7.81 23 I 8.65 4.31 1.99 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 1.34 0.96 0.92 0.00 0.00 24 P 0.00 4.35 0.00 2.07 2.07 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 25 N 9.10 4.35 0.00 2.85 2.90 0.00 0.00 6.90 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 26 S 8.41 4.52 0.00 3.82 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 27 G 8.70 3.81 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 0.00 0.00 0.00 28 A 8.12 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.51 4.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.90 0.00 0.00 30 D 8.74 5.25 0.00 2.60 2.60 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 31 W 9.30 4.82 0.00 3.24 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 32 T 8.64 4.54 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 33 V 8.33 3.53 1.69 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 0.32 0.00 0.00 -0.40 0.00 0.00 *34 H 9.07 4.25 0.00 2.97 2.95 0.00 7.29 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 *38 Q 7.65 4.17 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 39 L 8.40 4.48 0.00 1.54 1.61 0.99 0.75 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 40 L 8.62 4.99 0.00 1.98 1.65 0.98 0.89 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 41 F 10.24 4.46 0.00 3.11 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 42 R 8.19 3.80 0.00 1.90 1.96 0.00 3.34 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 43 D 8.18 4.39 0.00 3.04 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 44 V 7.80 3.74 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 0.73 0.00 0.00 1.15 0.00 0.00 45 L 7.71 3.90 0.00 1.67 1.58 0.63 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.99 4.24 0.00 2.78 2.60 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 47 V 7.35 3.21 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 0.26 0.00 0.00 -0.35 0.00 0.00 48 I 7.73 3.67 1.95 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 1.37 0.73 0.91 0.00 0.00 49 G 8.33 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.36 3.94 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 51 V 7.51 3.84 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 0.58 0.00 0.00 0.94 0.00 0.00 52 L 7.74 4.79 0.00 1.65 1.68 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.65 0.00 2.19 2.13 0.00 3.38 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 54 E 8.13 4.45 0.00 1.96 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 2.22 2.27 0.00 55 A 7.45 4.79 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 56 T 8.27 4.46 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 57 T 8.50 4.93 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 1.41 0.00 0.00 58 T 8.42 4.61 4.32 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 1.25 0.00 0.00 59 A 8.02 4.94 1.29 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 0.00 0.00 0.00 60 F 8.21 5.56 0.00 3.36 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 61 E 9.80 5.62 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 62 Y 8.91 5.59 0.00 3.22 3.18 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 63 E 9.18 5.03 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 64 D 8.43 4.45 0.00 2.41 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 65 E 7.98 4.16 0.00 2.21 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 0.00 2.26 2.27 0.00 66 D 8.20 4.47 0.00 2.79 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 67 G 8.21 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 68 D 8.09 4.61 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.40 4.48 0.00 1.59 1.92 0.00 3.19 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 70 I 8.74 4.23 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.40 0.72 0.00 0.00 71 T 8.39 4.70 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 1.17 0.00 0.00 72 V 8.84 4.38 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 0.73 0.00 0.00 1.16 0.00 0.00 73 R 8.71 4.23 0.00 1.57 1.67 0.00 3.17 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 74 S 6.47 4.13 0.00 3.85 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 75 D 8.54 4.41 0.00 2.75 2.82 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 76 E 8.12 3.94 0.00 2.01 1.91 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 2.38 2.41 0.00 77 E 8.08 4.04 0.00 2.09 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 2.30 2.28 0.00 78 M 8.25 4.15 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 3.01 0.00 79 K 8.29 3.93 0.00 1.87 2.05 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 80 A 7.92 4.06 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 81 M 8.22 3.61 0.00 2.13 1.70 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.12 0.00 82 L 8.18 4.09 0.00 1.97 1.97 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.41 4.23 0.00 3.96 4.08 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 84 Y 8.14 4.13 0.00 3.27 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 85 Y 8.31 3.90 0.00 2.91 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 86 Y 8.40 3.83 0.00 3.28 3.22 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 87 S 8.23 4.44 0.00 4.01 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 88 T 7.35 3.75 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 0.72 0.00 0.00 89 V 7.22 3.27 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 0.96 0.00 0.00 -0.02 0.00 0.00 90 M 7.99 3.98 0.00 2.29 1.51 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 91 E 8.12 3.90 0.00 2.08 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 2.29 2.49 0.00 92 Q 8.26 3.93 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 93 Q 8.28 3.95 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 94 V 7.59 3.71 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 0.76 0.00 0.00 1.03 0.00 0.00 95 N 7.92 4.84 0.00 2.69 2.82 0.00 0.00 6.97 7.81 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 96 G 7.56 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 97 Q 8.06 4.47 0.00 2.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 98 L 8.07 4.19 0.00 1.67 1.45 0.92 0.86 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 99 I 8.12 4.16 1.86 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 1.38 1.18 0.88 0.00 0.00 100 E 8.68 4.22 0.00 2.03 1.92 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 2.35 2.41 0.00 101 P 0.00 4.56 0.00 1.97 2.01 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 102 L 8.09 3.77 0.00 0.27 0.84 0.71 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.59 4.92 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 1.61 2.13 0.00 104 I 8.37 5.00 1.90 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.41 0.81 0.00 0.00 105 F 9.21 5.04 0.00 3.02 3.02 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 0.00 0.00 0.00 106 P 0.00 5.03 0.00 2.01 2.06 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 107 R 9.14 4.72 0.00 1.93 1.93 0.00 3.14 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 108 A 8.80 4.68 1.27 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.