NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 3.4035 8.3449 119.6147 55.3791 29.7805 173.6022 2 F 4.5129 7.2315 118.8082 56.3107 40.6767 174.2681 3 Q 4.0596 9.2891 126.4539 58.0924 29.1373 173.6245 4 K 4.7650 7.7720 118.7287 51.6506 35.0531 177.6021 5 P 4.3907 0.0000 0.0000 66.7636 31.1319 179.2188 6 G 3.7916 8.2177 104.0057 48.1466 0.0000 175.1354 7 D 4.4143 7.9682 120.7821 57.1451 40.7460 178.7151 8 A 2.6367 7.8353 121.2482 54.6800 18.3036 179.7260 9 I 3.4849 7.4556 117.7781 64.6878 37.2918 178.4714 10 E 4.0203 8.4856 119.6787 59.2325 29.2190 178.8848 11 Y 3.9759 7.9916 120.0315 60.7102 38.9635 178.2778 12 R 3.6610 8.1263 117.2743 59.2507 29.4378 178.7783 13 Q 4.1678 8.0913 118.7851 58.9047 28.7025 178.9262 14 S 4.0852 8.0228 115.9532 61.3597 62.7967 176.5970 15 A 3.7760 7.6969 123.4216 55.1530 18.0930 179.6808 16 F 4.3994 7.9154 116.2697 61.0881 38.9672 177.9594 17 T 3.9854 8.2521 115.4356 66.7725 68.2781 176.6791 18 L 4.0952 8.0189 120.8300 57.7209 41.5773 179.5564 19 I 3.8224 8.1036 119.6725 64.2966 37.0169 178.1995 20 A 4.1533 8.6049 121.9603 55.2889 17.9900 179.1070 21 N 4.2255 8.1928 115.3947 57.4379 39.2034 176.8501 22 H 4.2622 8.3858 117.4149 58.5557 28.6998 177.6370 23 F 4.5968 8.9246 123.3999 61.1576 39.1763 177.4227 24 G 3.5237 8.4729 105.6980 47.8297 0.0000 175.9044 25 R 3.9177 7.7294 120.0955 58.8734 30.0177 179.3967 26 V 3.6307 7.4136 116.5927 65.8104 31.5850 177.6740 27 A 3.6795 7.7691 120.7029 55.3103 18.0605 179.2897 28 A 3.9255 8.0013 118.9890 55.7682 18.2211 179.8680 29 M 4.4223 7.9975 117.0248 58.1020 31.8985 178.8988 30 A 3.7590 7.8701 119.7209 54.3209 18.4838 178.5678 31 Q 4.4967 7.9754 115.1300 55.1145 28.9936 175.9904 32 G 4.0145 7.6869 107.1077 46.7677 0.0000 175.0448 33 K 4.3655 8.2998 117.0249 55.7240 32.3164 176.3228 34 A 4.5394 7.3375 120.0625 50.3233 21.7315 174.1825 35 P 4.3917 0.0000 0.0000 62.7617 32.0005 176.2160 36 F 4.6969 8.6409 124.1155 57.7599 40.4028 175.1927 37 D 4.1738 7.5121 125.1249 51.5669 43.8917 175.7161 38 A 3.6687 8.1763 132.0138 55.5435 18.3869 179.8611 39 K 3.8701 8.0050 122.1232 60.0216 31.7841 181.6145 40 V 3.7204 7.8303 119.2483 65.5068 31.4067 177.7012 41 A 3.9512 8.1659 120.6461 55.0910 18.1795 179.3345 42 A 3.9456 8.2024 119.4806 55.4082 18.4847 179.6777 43 E 3.8936 8.3831 117.1406 59.8143 29.6201 179.4567 44 N 4.4327 8.4086 116.5710 56.3677 38.4731 177.6211 45 I 3.8017 8.2102 121.3973 64.1426 37.1127 178.2201 46 A 3.9795 8.2331 121.7962 55.1624 18.1452 179.5143 47 L 3.8736 7.9112 117.3727 58.0416 41.6838 179.9299 48 V 3.6290 7.8592 117.9290 66.0420 31.2237 177.7699 49 S 4.0019 8.0689 111.7049 61.7653 62.4797 175.7416 50 T 4.0328 8.0212 118.2769 67.0278 68.3522 176.6551 51 L 4.0224 8.2982 120.8462 57.4419 41.3568 179.5466 52 S 4.3850 8.1066 113.8977 61.4889 61.8052 176.5350 53 K 4.1938 7.7540 121.6701 59.1395 31.8818 178.8556 54 L 4.0119 7.9817 119.6359 57.6177 41.6260 177.8432 55 P 4.2777 0.0000 0.0000 65.7245 30.8987 177.5667 56 L 4.6540 7.4676 116.8973 56.1144 41.6842 177.9467 57 T 4.5411 7.9693 108.6938 61.8446 69.5630 174.6235 58 A 4.4736 7.7852 124.5008 52.5291 19.3286 177.0941 59 F 4.8763 8.1783 116.3633 58.5632 39.9925 176.2652 60 G 4.0130 8.1365 109.6355 44.3311 0.0000 171.8943 61 P 4.2330 0.0000 0.0000 64.1064 31.4724 177.0835 62 G 3.8192 8.4726 109.1707 45.7400 0.0000 173.5170 63 T 4.3916 7.0595 109.1613 61.7366 69.0548 175.6988 64 D 3.9957 7.5288 125.3217 55.7924 40.0324 176.8311 65 K 4.5199 7.6526 119.6391 53.6563 35.9741 180.5564 66 G 3.6342 9.0618 107.8222 46.9516 0.0000 174.2136 *67 H 4.1849 9.4657 112.7789 55.4900 25.1297 170.1391 68 G 4.0677 8.2339 107.7909 47.2233 0.0000 174.7612 69 T 4.0102 8.3024 113.6224 62.1848 68.1101 173.3125 70 E 4.7708 8.7609 125.0613 56.0343 31.4549 174.8595 71 A 4.7525 7.9764 122.7763 51.4133 19.0165 178.6138 72 K 4.2492 9.1481 123.1314 55.7559 33.1338 176.7847 73 P 4.6352 0.0000 0.0000 65.9762 31.1772 178.6846 74 A 4.8880 8.2526 120.2457 54.3223 17.9186 179.4502 75 V 2.5421 7.6990 116.4800 64.7935 31.2213 177.2599 76 W 4.4747 8.0893 117.6640 58.4962 30.3316 178.3380 77 S 4.3479 8.2728 113.7424 60.3410 63.4768 174.2600 78 D 5.1366 8.3579 122.3038 52.7472 39.0469 176.8809 79 A 3.9049 7.8771 124.7825 55.5245 18.8476 179.1210 80 A 4.0446 8.1038 118.6850 55.2480 18.4506 179.8947 81 G 3.7392 8.1844 104.3211 47.9358 0.0000 175.6659 82 F 3.5034 8.3622 125.6416 61.4283 39.3344 178.1034 83 K 3.8545 8.3714 123.1133 59.3357 31.4006 180.8369 84 A 4.1257 8.0552 120.2573 55.4793 18.3804 179.6436 85 A 3.9193 8.2191 119.3933 55.1623 18.4127 179.7660 86 A 3.8491 7.9180 119.6620 55.2465 18.3627 179.6383 87 D 4.3465 8.2018 120.0362 57.8787 40.8006 179.7722 88 K 3.9463 7.8814 123.7847 59.7288 31.6703 180.8071 89 F 4.4194 8.1430 122.0861 61.1472 39.2607 177.0175 90 A 3.6069 8.0973 119.9361 55.0615 18.3067 179.4665 91 A 3.8608 7.9063 118.9979 55.1639 18.3829 179.7147 92 A 3.8833 8.0701 119.4079 55.3534 18.4811 180.0820 93 V 3.3468 7.6995 116.9754 66.0572 31.4845 177.9969 94 D 4.4013 7.9744 118.7882 57.1393 40.5054 178.9363 95 K 3.9819 7.9018 118.7219 59.2766 32.0136 179.1653 96 L 3.9412 8.0765 120.8077 58.1399 42.0955 178.5512 97 D 4.2727 8.6298 118.2415 57.2579 41.2594 178.1021 98 A 3.9994 8.1567 121.1282 55.0331 18.3776 179.4704 99 A 4.1958 8.4062 119.7523 55.2900 18.2356 180.0404 100 G 3.6686 8.1362 103.4216 47.8888 0.0000 175.7495 101 K 4.1783 7.6680 119.7197 59.5508 32.1770 179.2742 102 T 4.1310 7.7069 108.6079 62.6275 68.9335 175.9506 103 G 3.9373 8.1450 108.0344 45.7113 0.0000 173.1486 104 D 4.5450 7.9921 119.9942 53.3190 41.8184 175.9960 105 F 3.5770 8.9252 129.2816 61.4552 39.3392 176.6121 106 A 3.9581 8.1412 119.5386 55.3252 18.1940 179.2112 107 Q 3.8920 8.2767 117.9170 59.2612 29.0429 178.5322 108 I 3.6477 8.0300 121.2353 64.3183 37.1779 178.2427 109 K 3.6196 8.0972 120.4782 59.3104 31.8923 178.6650 110 A 3.9182 8.0049 120.7614 55.1873 18.3367 179.5737 111 A 4.0197 8.1036 119.2632 55.2435 18.3211 180.2827 112 V 4.0375 8.3582 111.6440 64.2653 31.5507 179.0671 113 G 3.5941 7.9815 105.5250 47.5902 0.0000 175.4992 114 E 3.9141 8.0687 121.3625 59.3034 29.7338 178.8568 115 T 3.9372 8.1513 115.9691 66.6825 68.5512 176.5024 116 G 3.9871 8.6432 107.9256 48.1253 0.0000 175.8078 117 G 3.6543 8.1857 107.9767 47.4416 0.0000 175.6479 118 A 4.0127 8.0578 122.9198 54.8145 18.3402 179.6484 119 C 3.8113 8.0348 118.0279 63.5256 28.2702 176.9825 120 K 4.0043 7.9312 125.3010 59.5140 31.0202 181.0326 121 G 3.8865 8.2209 107.2816 48.0718 0.0000 175.2809 122 C 4.3121 7.7153 121.7707 62.2895 31.6000 175.1893 123 H 4.1684 8.2012 117.7807 59.0000 28.0507 177.3298 124 D 4.3881 8.4072 122.3252 58.1563 40.8019 179.4989 125 K 3.9356 7.3335 120.8938 58.2341 31.8673 179.3387 126 F 5.2016 8.3955 114.8261 56.7875 40.4090 174.1590 127 K 4.9253 8.3428 121.1776 55.5694 34.9864 175.8673 128 E 4.2528 9.1789 122.8541 56.6317 29.9183 175.0289 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 Q 8.34 3.40 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 2 F 7.23 4.51 0.00 2.99 3.05 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 3 Q 9.29 4.06 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.82 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 4 K 7.77 4.77 0.00 1.65 1.69 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 0.99 7.81 5 P 0.00 4.39 0.00 2.10 2.21 0.00 3.57 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 2.07 2.12 0.00 6 G 8.22 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.97 4.41 0.00 3.02 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 8 A 7.84 2.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.46 3.48 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.90 0.00 0.00 10 E 8.49 4.02 0.00 2.02 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 2.34 2.45 0.00 11 Y 7.99 3.98 0.00 3.27 2.92 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 12 R 8.13 3.66 0.00 1.79 1.89 0.00 2.21 0.00 0.00 2.64 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 13 Q 8.09 4.17 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 14 S 8.02 4.09 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.70 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.92 4.40 0.00 3.29 3.06 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 T 8.25 3.99 4.45 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 0.00 0.00 0.00 1.25 0.00 0.00 18 L 8.02 4.10 0.00 1.87 1.79 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.10 3.82 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 1.08 0.00 0.00 20 A 8.60 4.15 1.47 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 0.00 0.00 21 N 8.19 4.23 0.00 2.80 2.90 0.00 0.00 7.31 8.04 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 22 H 8.39 4.26 0.00 3.32 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.92 4.60 0.00 3.18 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 24 G 8.47 3.52 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 0.00 25 R 7.73 3.92 0.00 1.99 1.99 0.00 3.40 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 26 V 7.41 3.63 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 1.03 0.00 0.00 1.06 0.00 0.00 27 A 7.77 3.68 0.96 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 28 A 8.00 3.93 1.36 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 0.00 0.00 0.00 29 M 8.00 4.42 0.00 2.55 2.43 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 2.82 2.75 0.00 30 A 7.87 3.76 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.98 4.50 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 32 G 7.69 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 33 K 8.30 4.37 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.56 7.81 34 A 7.34 4.54 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 35 P 0.00 4.39 0.00 2.08 2.04 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 36 F 8.64 4.70 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.51 4.17 0.00 2.55 2.26 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 38 A 8.18 3.67 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.01 3.87 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 40 V 7.83 3.72 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 1.04 0.00 0.00 0.89 0.00 0.00 41 A 8.17 3.95 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 42 A 8.20 3.95 1.42 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 43 E 8.38 3.89 0.00 2.15 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 2.32 2.57 0.00 44 N 8.41 4.43 0.00 2.97 3.10 0.00 0.00 7.10 7.91 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 45 I 8.21 3.80 2.09 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 1.54 0.91 1.00 0.00 0.00 46 A 8.23 3.98 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 47 L 7.91 3.87 0.00 1.84 1.67 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.86 3.63 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.14 0.00 0.00 49 S 8.07 4.00 0.00 3.99 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 50 T 8.02 4.03 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 L 8.30 4.02 0.00 1.70 1.71 0.96 0.98 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 52 S 8.11 4.39 0.00 3.99 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 53 K 7.75 4.19 0.00 2.00 1.93 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.75 7.81 54 L 7.98 4.01 0.00 1.98 1.70 1.05 0.94 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 55 P 0.00 4.28 0.00 1.49 1.46 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.60 0.00 56 L 7.47 4.65 0.00 1.94 1.88 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.97 4.54 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 1.38 0.00 0.00 58 A 7.79 4.47 1.01 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 59 F 8.18 4.88 0.00 3.05 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 60 G 8.14 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 61 P 0.00 4.23 0.00 2.17 2.12 0.00 3.87 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 2.02 2.01 0.00 62 G 8.47 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 63 T 7.06 4.39 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 1.16 0.00 0.00 64 D 7.53 4.00 0.00 2.18 1.54 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 65 K 7.65 4.52 0.00 1.73 1.54 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 0.98 7.81 66 G 9.06 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 *67 H 9.47 4.18 0.00 3.02 3.16 0.00 7.36 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.23 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 0.00 0.00 0.00 69 T 8.30 4.01 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 1.32 0.00 0.00 70 E 8.76 4.77 0.00 1.96 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 2.31 2.30 0.00 71 A 7.98 4.75 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 9.15 4.25 0.00 1.92 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.51 7.81 73 P 0.00 4.64 0.00 2.27 2.25 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 74 A 8.25 4.89 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.70 2.54 0.67 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 -1.41 0.00 0.00 0.37 0.00 0.00 76 W 8.09 4.47 0.00 3.54 3.12 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 77 S 8.27 4.35 0.00 4.12 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 0.00 78 D 8.36 5.14 0.00 2.89 3.09 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 0.00 79 A 7.88 3.90 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 80 A 8.10 4.04 1.36 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 0.00 0.00 0.00 81 G 8.18 3.74 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 0.00 0.00 0.00 82 F 8.36 3.50 0.00 2.21 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 83 K 8.37 3.85 0.00 1.79 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.33 7.81 84 A 8.06 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.22 3.92 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 86 A 7.92 3.85 1.07 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 0.00 0.00 87 D 8.20 4.35 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.95 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 89 F 8.14 4.42 0.00 3.00 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 90 A 8.10 3.61 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 91 A 7.91 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.07 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.70 3.35 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 0.78 0.00 0.00 0.16 0.00 0.00 94 D 7.97 4.40 0.00 2.85 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 95 K 7.90 3.98 0.00 1.98 1.83 0.00 1.85 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.61 7.81 96 L 8.08 3.94 0.00 1.76 1.81 1.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.63 4.27 0.00 2.83 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 98 A 8.16 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 99 A 8.41 4.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.14 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 0.00 101 K 7.67 4.18 0.00 1.98 1.90 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.59 7.81 102 T 7.71 4.13 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 1.27 0.00 0.00 103 G 8.15 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 0.00 104 D 7.99 4.54 0.00 2.89 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 0.00 105 F 8.93 3.58 0.00 2.45 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.14 3.96 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 0.00 107 Q 8.28 3.89 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 108 I 8.03 3.65 1.79 0.00 0.00 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 1.45 0.79 0.89 0.00 0.00 109 K 8.10 3.62 0.00 1.10 1.67 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.30 7.81 110 A 8.00 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.10 4.02 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 0.00 112 V 8.36 4.04 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 0.83 0.00 0.00 0.87 0.00 0.00 113 G 7.98 3.59 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 0.00 0.00 0.00 114 E 8.07 3.91 0.00 2.20 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 2.30 2.35 0.00 115 T 8.15 3.94 4.23 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 0.78 0.00 0.00 116 G 8.64 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 0.00 0.00 0.00 117 G 8.19 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 0.00 0.00 0.00 118 A 8.06 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.03 3.81 0.00 2.99 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 0.00 120 K 7.93 4.00 0.00 1.79 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 121 G 8.22 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 0.00 122 C 7.72 4.31 0.00 2.83 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 0.00 123 H 8.20 4.17 0.00 3.30 3.30 0.00 5.70 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 0.00 124 D 8.41 4.39 0.00 2.70 2.67 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 0.00 125 K 7.33 3.94 0.00 1.90 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.34 7.81 126 F 8.40 5.20 0.00 3.07 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.34 4.93 0.00 1.57 1.68 0.00 1.15 0.00 0.00 1.32 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 1.26 7.81 128 E 9.18 4.25 0.00 2.00 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 2.17 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.