NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6212 0.0000 0.0000 62.7728 33.7198 174.7740 2 I 4.9493 8.9475 121.0785 58.7332 41.2332 173.4212 3 F 5.3615 9.5478 129.5607 56.6649 42.5048 173.2684 4 T 4.8449 8.1923 120.6254 60.0271 70.5783 172.1984 5 L 4.8085 8.6595 129.8498 53.1568 45.8553 174.5440 6 N 5.2268 8.4405 122.7397 51.8343 41.6944 173.4876 7 T 5.0023 8.4631 116.0195 61.1400 71.3385 173.3116 8 N 5.4359 8.6599 122.1298 52.0281 38.1794 175.5122 9 I 3.9655 7.3762 113.4363 60.3805 38.8696 175.7715 10 K 5.2049 8.5081 119.8590 55.7344 32.6326 178.4333 11 A 3.9942 8.3659 123.3549 55.2488 18.5140 180.1430 12 T 3.8752 7.7580 109.4957 64.8571 67.5635 174.6204 13 D 4.5269 7.7542 118.7240 54.5932 41.1031 176.1155 14 V 3.8576 7.1723 121.1235 60.5154 32.3439 173.9673 15 P 4.4237 0.0000 0.0000 62.7656 31.5974 177.4503 16 S 4.2834 8.7137 115.3444 60.4349 63.2846 174.3634 17 D 4.7296 7.9688 119.6724 53.1290 40.3614 177.5497 18 F 4.0573 8.3313 123.3874 61.8700 39.1496 176.8080 19 L 3.8961 8.1406 117.7458 57.8581 41.5656 179.5437 20 S 4.1031 8.0272 113.7398 61.6538 63.0306 176.5230 21 S 4.1252 8.7385 118.5206 61.1147 62.6922 176.5553 22 T 3.5911 8.1494 119.8154 66.0019 68.1370 176.8489 23 S 3.9886 8.2764 115.3243 61.2872 62.4535 176.1183 24 A 3.9190 7.8930 123.4449 54.9758 18.1304 179.2627 25 L 3.7587 7.6147 118.6774 58.2430 42.1606 179.4138 26 V 3.5384 7.9716 118.5655 65.9873 31.4201 178.2408 27 G 3.6317 8.0435 105.4135 47.7402 0.0000 175.3872 28 N 4.3136 8.0786 118.9371 56.2493 38.4577 177.5435 29 I 3.7117 7.6302 113.3869 63.5616 37.6656 177.1941 30 L 4.2726 7.6446 117.5943 53.4366 42.5956 176.2739 31 S 3.7539 7.7648 114.3885 59.8952 60.8875 172.3660 32 K 4.6573 7.9742 117.5331 53.3958 35.6737 175.3436 33 P 4.4149 0.0000 0.0000 62.6014 32.0366 177.7888 34 G 3.6750 8.6159 109.0958 48.3167 0.0000 175.8855 35 S 4.0658 8.0173 113.6068 60.6241 62.9832 174.4393 36 Y 4.5394 7.5724 116.2955 57.5072 38.1959 175.1007 37 V 4.4659 7.6312 120.9782 61.6404 32.7669 175.0171 38 A 4.9271 8.7915 129.1064 50.1145 21.9926 174.9776 39 V 4.9850 8.4351 120.6914 61.4891 34.8794 174.2279 40 H 5.0659 9.3950 126.3745 54.7562 33.6967 171.6924 41 I 4.7616 8.2607 124.5392 59.1951 41.0864 173.4391 42 N 4.8369 9.0364 129.1192 52.3223 40.4862 173.9746 43 T 4.5132 8.3165 116.5476 60.0383 71.8441 173.7666 44 D 4.4330 8.8558 117.4692 55.2925 39.1446 174.1699 45 Q 4.2696 7.7031 118.1307 55.5004 29.2658 175.8515 46 Q 4.3043 8.4409 122.5853 55.4787 28.1532 174.7407 47 L 4.8233 8.2286 126.3478 53.0016 45.1638 175.4533 48 S 5.0105 8.7515 119.9346 56.3082 65.5118 173.0218 49 F 4.5533 8.9099 125.4947 57.3439 41.4809 175.0825 50 G 3.8164 9.8528 115.1231 46.5121 0.0000 174.4755 51 G 4.0082 8.6936 108.3143 44.5751 0.0000 174.0646 52 S 4.8722 7.9198 114.3409 56.8347 65.3251 174.2040 53 T 4.8676 8.2576 110.8727 61.8112 68.8649 174.7283 54 N 4.5663 7.9478 118.8367 52.5199 39.2582 172.9526 55 P 4.2907 0.0000 0.0000 63.7031 31.6134 175.5473 56 A 4.6665 8.8643 123.0121 51.6364 23.4165 174.1570 57 A 4.8197 8.7093 118.7223 51.6643 23.2762 175.6021 58 F 5.4520 8.6367 113.8387 55.9827 42.1217 174.0647 59 G 3.9600 8.8548 106.4142 46.2650 0.0000 171.6816 60 T 5.2021 8.4310 114.9424 61.5804 73.2787 173.4171 61 L 5.3556 8.8486 126.1797 53.8468 44.9647 174.9697 62 M 5.7168 9.2496 126.4824 53.1113 35.3409 175.1253 63 S 4.7177 8.2567 114.0931 57.7029 66.4727 174.1434 64 I 4.7757 7.7409 122.4508 59.9215 36.0533 175.8157 65 G 3.7802 8.9071 117.2098 45.1079 0.0000 174.3141 66 G 3.6905 7.6815 109.7682 47.7967 0.0000 176.8981 *67 I 4.1679 8.3743 121.1797 59.2081 34.1168 173.6180 *68 E 4.9280 7.4583 115.0203 53.2174 34.6474 177.5091 69 P 4.5594 0.0000 0.0000 63.6584 30.9931 174.3079 70 S 4.3116 7.9573 109.7645 57.7638 64.4395 175.6661 71 R 3.8113 7.7723 114.5799 57.1445 27.8689 178.1173 72 N 3.5692 7.3672 117.2110 56.1046 38.3311 177.5768 73 R 3.9192 7.6315 119.1760 59.1619 30.2384 178.3677 74 D 4.3231 7.8215 117.4387 57.4742 41.2957 177.8488 75 H 4.2740 8.3944 117.3298 58.9310 28.6123 177.7295 76 S 4.7132 8.6939 115.1712 61.3277 62.2591 176.1514 77 A 4.0035 8.0163 123.2682 55.1517 18.2971 179.5737 78 K 3.9656 8.1407 118.2413 59.5520 32.1652 179.1098 79 L 3.9897 8.6173 119.7989 57.8705 41.5966 179.4282 80 F 4.0039 8.9867 118.1597 60.4380 38.7248 177.4618 81 D 4.3909 8.2821 118.5088 57.7614 40.6316 177.8476 82 H 4.1355 8.0546 118.0103 59.8068 29.7141 177.1101 83 L 4.0910 8.4255 120.7344 57.7222 41.3966 179.2480 84 N 4.4582 8.5735 117.5791 56.9790 38.7343 177.2614 85 T 3.9327 8.4818 116.6612 66.3168 68.5961 176.6637 86 K 4.1907 8.3118 119.9771 58.5847 32.8157 178.4960 87 L 4.4601 8.2665 117.9601 53.6068 42.3629 178.4113 88 G 3.9970 8.0607 105.8906 45.4133 0.0000 173.9907 89 I 3.7937 7.0511 119.7623 60.1533 37.7858 174.3925 90 P 4.3233 0.0000 0.0000 62.4845 31.6145 177.7751 91 K 4.2359 8.7824 122.8307 59.2123 32.1796 177.2999 92 N 4.7889 8.0041 114.3170 52.9349 37.6088 174.9027 93 R 3.1147 7.7922 118.0237 55.5130 31.5346 174.7432 94 M 6.0773 7.8918 116.6772 54.0396 36.3116 174.3149 95 Y 5.3490 9.0110 120.1407 56.4849 41.8078 174.8685 96 I 5.0226 8.5583 122.4118 59.9782 40.9039 174.2107 97 H 4.6299 9.4675 128.9296 55.4465 30.9307 173.8854 98 F 5.1003 8.8393 125.1579 56.5395 40.3876 175.3224 99 V 4.3468 8.9935 124.1258 61.0088 34.2901 173.6358 100 N 5.0094 8.8772 127.0793 52.4145 39.6840 174.1547 101 L 4.4928 9.3133 128.0695 54.0057 43.8635 175.7267 102 N 4.9893 8.6124 120.4505 51.9010 40.5412 176.0294 103 G 4.4189 8.7662 113.7384 48.4747 0.0000 175.2075 104 D 4.4239 8.1690 118.1420 56.4810 40.9118 176.6638 105 D 4.7399 7.9959 117.2668 53.7468 41.4330 175.9951 106 V 4.3773 8.0690 121.1158 60.8736 33.1947 174.4758 107 G 4.3069 8.5786 116.3390 43.9508 0.0000 172.4847 108 W 4.8747 9.2343 132.2260 57.2669 34.1156 173.7255 109 N 3.4821 8.7526 122.1653 54.4512 36.4993 174.6982 110 G 3.8248 8.2653 101.3338 45.9652 0.0000 173.5497 111 T 4.4794 7.6753 114.1509 60.7481 70.1219 172.3180 112 T 5.0004 8.0972 108.7890 60.0149 72.1392 173.6389 113 F 4.5979 8.5548 119.8204 57.9307 39.0541 176.0008 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 1 P 0.00 4.62 0.00 2.15 2.23 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 2 I 8.95 4.95 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.95 0.00 0.00 3 F 9.55 5.36 0.00 3.09 2.93 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 0.00 0.00 0.00 4 T 8.19 4.84 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 1.11 0.00 0.00 5 L 8.66 4.81 0.00 1.24 1.24 0.84 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.44 5.23 0.00 1.46 2.24 0.00 0.00 6.25 6.64 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 7 T 8.46 5.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 8 N 8.66 5.44 0.00 2.69 3.02 0.00 0.00 6.96 7.86 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 9 I 7.38 3.97 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.06 0.86 0.00 0.00 10 K 8.51 5.20 0.00 1.93 1.74 0.00 1.95 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.32 7.81 11 A 8.37 3.99 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 12 T 7.76 3.88 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 1.19 0.00 0.00 13 D 7.75 4.53 0.00 2.81 2.64 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 14 V 7.17 3.86 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 0.48 0.00 0.00 0.67 0.00 0.00 15 P 0.00 4.42 0.00 2.63 2.21 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.07 0.00 16 S 8.71 4.28 0.00 4.03 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 17 D 7.97 4.73 0.00 2.86 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 18 F 8.33 4.06 0.00 3.26 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 19 L 8.14 3.90 0.00 1.79 1.75 1.00 1.01 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 20 S 8.03 4.10 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.74 4.13 0.00 4.03 4.17 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 22 T 8.15 3.59 3.80 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 0.93 0.00 0.00 23 S 8.28 3.99 0.00 3.92 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 24 A 7.89 3.92 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 25 L 7.61 3.76 0.00 1.64 1.55 0.55 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.97 3.54 2.13 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 0.94 0.00 0.00 0.77 0.00 0.00 27 G 8.04 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.08 4.31 0.00 2.89 2.83 0.00 0.00 6.69 7.05 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 29 I 7.63 3.71 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.33 0.85 0.00 0.00 30 L 7.64 4.27 0.00 1.68 1.70 0.92 0.86 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 31 S 7.76 3.75 0.00 3.98 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 32 K 7.97 4.66 0.00 1.65 1.63 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.40 7.81 33 P 0.00 4.41 0.00 2.21 2.20 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 34 G 8.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.07 0.00 3.72 3.87 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 36 Y 7.57 4.54 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.63 4.47 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 0.79 0.00 0.00 0.97 0.00 0.00 38 A 8.79 4.93 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 39 V 8.44 4.98 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 0.95 0.00 0.00 0.99 0.00 0.00 40 H 9.40 5.07 0.00 3.16 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.26 4.76 1.97 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.88 0.88 0.00 0.00 42 N 9.04 4.84 0.00 2.64 2.52 0.00 0.00 6.44 6.81 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 43 T 8.32 4.51 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 44 D 8.86 4.43 0.00 2.84 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 45 Q 7.70 4.27 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 46 Q 8.44 4.30 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 47 L 8.23 4.82 0.00 1.70 1.55 1.16 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.75 5.01 0.00 4.02 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 49 F 8.91 4.55 0.00 3.08 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 50 G 9.85 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 51 G 8.69 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 52 S 7.92 4.87 0.00 4.04 3.99 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 53 T 8.26 4.87 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 1.24 0.00 0.00 54 N 7.95 4.57 0.00 2.74 2.78 0.00 0.00 7.08 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 55 P 0.00 4.29 0.00 1.99 2.01 0.00 3.69 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 2.01 2.10 0.00 56 A 8.86 4.67 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 57 A 8.71 4.82 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 58 F 8.64 5.45 0.00 3.20 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 59 G 8.85 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 60 T 8.43 5.20 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 1.23 0.00 0.00 61 L 8.85 5.36 0.00 2.00 1.69 1.16 1.03 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 62 M 9.25 5.72 0.00 1.97 1.94 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 2.52 2.29 0.00 63 S 8.26 4.72 0.00 3.80 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 64 I 7.74 4.78 1.66 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.43 0.88 0.00 0.00 65 G 8.91 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 0.00 0.00 0.00 66 G 7.68 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 *67 I 8.37 4.17 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 1.27 0.76 0.91 0.00 0.00 *68 E 7.46 4.93 0.00 1.94 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 0.00 2.14 2.12 0.00 69 P 0.00 4.56 0.00 1.99 2.02 0.00 3.58 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 2.00 2.05 0.00 70 S 7.96 4.31 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 3.81 0.00 1.92 1.53 0.00 3.15 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 1.51 1.57 0.00 72 N 7.37 3.57 0.00 2.52 2.13 0.00 0.00 7.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.63 3.92 0.00 1.78 1.92 0.00 3.09 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 74 D 7.82 4.32 0.00 2.72 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 75 H 8.39 4.27 0.00 2.94 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.69 4.71 0.00 4.32 4.13 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 77 A 8.02 4.00 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 78 K 8.14 3.97 0.00 2.03 1.85 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 79 L 8.62 3.99 0.00 2.02 1.72 1.12 0.57 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 80 F 8.99 4.00 0.00 3.25 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 81 D 8.28 4.39 0.00 2.93 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 82 H 8.05 4.14 0.00 3.32 3.50 0.00 5.79 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 83 L 8.43 4.09 0.00 1.62 1.69 0.91 0.79 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 84 N 8.57 4.46 0.00 2.82 3.07 0.00 0.00 7.15 6.87 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 85 T 8.48 3.93 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 1.22 0.00 0.00 86 K 8.31 4.19 0.00 1.83 2.01 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 87 L 8.27 4.46 0.00 1.75 1.59 0.81 0.85 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 88 G 8.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.05 3.79 1.81 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 1.24 0.65 0.84 0.00 0.00 90 P 0.00 4.32 0.00 2.06 1.92 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 91 K 8.78 4.24 0.00 1.81 2.08 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.66 1.52 7.81 92 N 8.00 4.79 0.00 2.76 2.86 0.00 0.00 5.81 7.66 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 93 R 7.79 3.11 0.00 1.56 1.32 0.00 2.95 0.00 0.00 3.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.22 0.00 94 M 7.89 6.08 0.00 1.60 1.86 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 2.41 2.35 0.00 95 Y 9.01 5.35 0.00 3.10 2.86 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 96 I 8.56 5.02 1.88 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 1.27 0.87 0.55 0.00 0.00 97 H 9.47 4.63 0.00 3.16 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.84 5.10 0.00 3.10 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 99 V 8.99 4.35 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 0.95 0.00 0.00 0.69 0.00 0.00 100 N 8.88 5.01 0.00 2.80 2.75 0.00 0.00 7.21 7.78 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 0.00 101 L 9.31 4.49 0.00 1.67 1.58 0.97 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.61 4.99 0.00 2.81 2.89 0.00 0.00 6.94 7.90 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 0.00 103 G 8.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.42 0.00 2.69 2.78 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 0.00 105 D 8.00 4.74 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.07 4.38 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.09 0.00 0.00 107 G 8.58 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 9.23 4.87 0.00 3.24 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.75 3.48 0.00 1.44 1.85 0.00 0.00 7.07 7.98 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 0.00 110 G 8.27 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 0.00 111 T 7.68 4.48 4.16 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 1.21 0.00 0.00 112 T 8.10 5.00 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 1.21 0.00 0.00 113 F 8.55 4.60 0.00 3.32 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 * Residues marked with a * may have inaccurate shift predictions.