NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4898 8.1933 115.5558 58.2859 63.8383 172.4776 5 N 5.3429 8.6551 123.0078 50.7843 42.1144 168.1260 6 V 4.5033 9.1824 119.9025 61.1852 36.2886 174.0213 7 V 4.9255 8.6108 124.0652 61.2079 34.3589 174.0475 8 L 4.6632 9.2667 128.8519 53.3967 43.7824 175.6120 9 V 5.0139 8.2740 123.7769 61.0950 33.7816 175.4882 10 S 4.8507 9.4206 123.6543 57.8040 64.3198 175.4404 11 G 3.7523 9.3010 109.1546 47.5860 0.0000 174.2057 12 E 4.4213 8.3047 119.0975 56.0917 29.4167 177.4688 13 G 3.9984 8.0910 107.6687 45.4247 0.0000 174.2956 14 E 4.1404 7.8308 120.0935 56.2144 30.7607 175.9066 15 R 4.9158 8.3204 122.9955 55.1651 31.9735 175.7390 16 F 4.8351 9.4906 122.0668 56.0394 42.1232 174.2758 17 T 5.0362 8.6706 120.5285 62.8335 69.9165 174.6031 18 V 4.5609 8.7790 117.5261 59.8175 37.1365 173.2765 19 D 4.9128 8.7297 122.0995 53.8307 41.8103 176.8516 20 K 3.8355 8.9681 128.0501 59.6911 31.8762 178.5855 21 K 3.9298 8.3938 118.8087 59.7741 32.6165 178.6037 22 I 3.8457 7.9751 119.3168 64.2487 37.0389 178.1572 23 A 4.1140 8.7604 122.0768 54.8794 17.9869 178.9490 24 E 4.1376 7.9127 114.4771 57.8713 29.4952 178.5885 25 R 4.2934 7.6806 119.7044 58.3559 30.3894 176.1703 26 S 4.3858 8.1511 114.7717 57.4196 62.1485 174.2612 27 L 3.8934 8.5492 130.0211 57.7805 41.0339 179.4362 28 L 3.8979 7.2937 119.0104 57.8826 42.1338 178.5449 29 L 4.0006 7.6762 119.9261 57.7918 42.2126 178.4686 30 K 3.9079 8.6902 120.1290 60.0308 31.9130 178.5170 31 N 4.4508 8.6152 115.0437 56.0342 38.5091 176.3513 32 Y 4.1652 7.7584 120.5803 58.9373 38.8591 176.2027 33 L 3.5748 7.5570 117.4320 55.7097 40.1557 175.3369 *75 I 4.1518 7.5590 119.3216 60.3078 39.7327 174.4870 76 V 5.1938 7.3595 116.6552 59.4690 34.7135 172.3519 *78 P 4.2574 0.0000 0.0000 62.5457 32.4099 177.2549 79 V 4.5367 8.1345 120.0796 59.7145 30.3184 172.8648 80 P 4.1835 0.0000 0.0000 63.8625 32.0693 176.4184 81 N 4.0145 8.6975 118.5290 54.3623 36.4264 174.2328 82 V 4.2655 6.9718 113.8061 60.3010 33.8237 174.9017 83 R 4.3397 8.5220 126.1873 56.4954 31.7668 177.2023 84 S 4.3477 10.4754 120.8841 62.2758 62.9349 177.3972 85 S 4.3786 8.3165 115.9928 61.6483 62.2800 176.7924 86 V 3.5089 7.5432 121.0570 65.8156 31.4405 177.5491 87 L 3.8118 8.0225 120.3455 58.0481 41.7780 178.5987 88 Q 3.5363 8.2427 119.8193 59.0608 28.6945 178.2597 89 K 4.1365 7.7935 120.5004 59.6100 32.1929 178.9595 90 V 3.8030 7.9536 118.6196 65.8783 31.4184 178.0876 91 I 3.7062 8.0192 119.8868 64.5008 37.0192 177.7324 92 E 3.9894 8.4768 120.2268 59.4707 29.1573 178.8326 93 W 4.0148 8.1544 127.5643 60.1317 30.4838 177.9434 94 A 4.0861 8.0096 120.3242 54.9820 18.3037 179.1711 95 E 4.0029 8.4332 117.3895 59.7134 29.3735 178.9645 96 H 3.8281 7.8959 117.1147 58.0789 29.8771 175.2672 97 H 4.5835 7.1360 118.2252 54.9499 29.1710 176.8748 98 R 3.8729 7.5584 118.6511 58.6068 29.2711 176.9441 99 D 4.8232 7.6713 116.6582 53.8387 41.5701 175.8973 100 S 4.4560 7.2614 114.7561 57.1366 64.3899 173.5569 101 N 4.8382 7.8025 118.8997 51.3704 41.4024 174.2296 102 F 5.1661 8.2472 119.5930 55.1783 42.8942 173.5295 103 P 4.2882 0.0000 0.0000 65.6746 31.6071 177.9285 *116 V 4.1287 7.7028 115.3528 62.6688 33.0997 175.6613 117 D 4.4965 8.1147 118.2354 54.6453 41.7098 176.2778 118 S 4.1578 8.9830 121.2360 61.5169 62.4468 176.2264 119 W 4.1249 8.7231 130.6766 60.7311 30.4758 177.5273 120 D 4.7452 8.8850 118.3969 57.6305 40.0402 178.8434 121 R 3.9419 8.0896 117.7907 59.3370 30.3245 178.4556 122 E 3.9749 7.6728 117.6180 59.2465 29.4840 178.2881 123 F 3.8856 7.8801 119.7059 60.9875 39.3417 176.1501 124 L 4.0408 7.7583 115.5170 54.1957 42.5208 177.9423 125 K 4.2744 7.9023 121.8493 56.0712 30.6361 175.4012 126 V 4.2578 6.9901 112.5462 59.1271 34.6121 175.6966 127 D 4.5905 8.1638 119.8169 53.1000 40.2772 176.2663 128 Q 4.1427 8.8284 119.5793 59.6144 29.0052 179.5056 129 E 3.8247 8.2940 113.0266 57.7991 29.5459 178.2933 *131 L 4.1269 7.9639 122.7176 55.2820 44.1513 178.1201 132 Y 4.2008 8.0950 118.9409 61.0078 38.6812 178.1120 133 E 3.6713 8.3048 119.3673 59.1409 29.5057 179.3638 134 I 3.6316 7.5763 119.4697 64.3687 37.2229 178.2932 135 I 3.5850 7.7507 120.5889 64.2242 36.9011 178.4658 136 L 3.7868 7.5428 119.2410 57.6182 41.3567 179.2939 137 A 3.9386 8.3100 120.6530 55.1829 18.3489 179.1428 138 A 3.8618 8.3651 119.4343 55.5233 18.2629 179.3177 139 N 4.1556 8.5296 115.4269 57.0265 38.8137 176.4340 140 Y 4.1233 8.3546 119.8205 60.6564 38.8076 177.3138 141 L 3.8786 8.8347 118.5287 54.1099 43.0995 175.5748 142 N 4.2977 7.6625 117.4894 54.9241 37.6560 174.0996 143 I 4.9746 7.5757 121.1436 57.9624 38.2072 176.2893 144 K 3.7477 8.3249 125.4205 59.1430 32.2317 175.4487 145 P 3.9071 0.0000 0.0000 65.4276 31.1505 178.1992 146 L 2.9639 7.2269 118.3011 57.6184 41.7576 178.3461 147 L 3.7773 7.5640 120.1040 58.3764 41.9873 178.7184 148 D 4.2657 8.0950 118.3644 57.1805 40.7373 178.4112 149 A 4.0593 8.0242 121.4225 55.4088 18.3449 179.8788 150 G 3.5690 8.2125 104.2198 48.2266 0.0000 175.6624 151 C 4.1965 8.3652 119.3775 62.5138 28.1717 176.2803 152 K 3.9861 8.6126 120.5178 59.4529 31.3632 179.5986 153 V 3.6388 7.6330 117.8717 65.8839 31.5073 178.0218 154 V 3.8123 7.5368 116.7721 65.8838 31.6235 177.6128 155 A 4.2019 8.2519 120.7034 54.6371 18.2744 179.2592 156 E 4.3336 7.9494 119.0509 56.1018 29.5352 178.0070 *158 I 4.2300 7.7098 119.8998 61.4468 39.3854 176.2541 159 R 3.7355 8.1966 118.6387 56.9289 29.8946 175.5295 160 G 3.9965 8.8647 112.5860 46.4161 0.0000 172.9224 161 R 4.8033 7.9866 117.5348 54.1657 32.6398 176.4363 162 S 4.7201 8.5318 115.0486 56.3734 66.1542 173.4497 163 P 4.4793 0.0000 0.0000 66.2016 31.0546 178.7818 164 E 4.0009 8.1495 116.4166 59.3558 29.4395 179.0823 165 E 3.9375 8.1846 118.5798 59.5841 29.4421 179.5044 166 I 3.7592 8.7066 120.9341 64.3609 37.1670 178.6716 167 R 4.0502 8.2468 118.9512 59.3967 29.9680 179.2653 168 R 3.8882 7.9616 117.6880 59.6903 29.8672 178.9499 169 T 3.6717 7.4121 114.1087 66.0700 68.4735 175.4281 170 F 4.6939 7.4621 115.4867 55.6977 40.6701 174.7769 171 N 4.1028 7.9023 116.3237 54.4478 37.5535 173.5480 172 I 4.2354 8.0791 117.1640 59.8591 39.8091 174.3849 173 V 4.0841 7.9154 124.9217 61.2664 32.5001 175.7529 174 N 4.4894 8.5599 126.1568 53.3009 37.3799 173.1024 175 D 4.7119 7.8949 123.8026 52.8243 39.9738 176.4965 176 F 4.6556 7.7442 119.0252 57.3542 39.8263 176.5453 177 T 4.1882 8.4701 116.1493 60.7825 70.8934 173.3779 178 P 4.2253 0.0000 0.0000 65.9966 31.4398 178.4500 179 E 3.8861 8.1093 117.1110 59.5287 29.5398 178.3315 180 E 3.9849 7.9405 117.2390 59.6239 29.6955 179.1082 181 E 3.7978 8.4953 118.3965 59.3699 29.3733 178.9343 182 A 3.9556 7.6400 118.9683 55.3505 18.4916 178.9575 183 A 4.2227 7.5560 114.3590 52.5430 19.0900 177.8118 184 I 4.3235 7.7249 118.5499 61.0644 37.6568 176.0867 185 R 4.1933 8.0233 123.0948 56.5249 29.3416 176.3603 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 4 S 8.19 4.49 0.00 3.93 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 5 N 8.66 5.34 0.00 2.76 2.71 0.00 0.00 6.51 6.79 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 6 V 9.18 4.50 2.11 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 1.05 0.00 0.00 0.98 0.00 0.00 7 V 8.61 4.93 2.12 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 1.06 0.00 0.00 0.97 0.00 0.00 8 L 9.27 4.66 0.00 1.69 1.60 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.27 5.01 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 1.11 0.00 0.00 0.97 0.00 0.00 10 S 9.42 4.85 0.00 4.26 4.39 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 11 G 9.30 3.75 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 0.00 0.00 0.00 12 E 8.30 4.42 0.00 2.02 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 2.26 0.00 13 G 8.09 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 14 E 7.83 4.14 0.00 1.90 1.55 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 0.00 2.34 2.34 0.00 15 R 8.32 4.92 0.00 1.63 1.85 0.00 3.13 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 16 F 9.49 4.84 0.00 3.03 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 17 T 8.67 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 1.24 0.00 0.00 18 V 8.78 4.56 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 0.64 0.00 0.00 0.96 0.00 0.00 19 D 8.73 4.91 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.97 3.84 0.00 1.90 2.00 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 21 K 8.39 3.93 0.00 1.76 2.00 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 22 I 7.98 3.85 2.01 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 1.54 0.87 0.94 0.00 0.00 23 A 8.76 4.11 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 24 E 7.91 4.14 0.00 2.22 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 2.38 2.60 0.00 25 R 7.68 4.29 0.00 2.12 2.10 0.00 3.43 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 26 S 8.15 4.39 0.00 3.90 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 27 L 8.55 3.89 0.00 1.72 1.71 0.97 0.46 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 28 L 7.29 3.90 0.00 1.42 1.59 0.75 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.68 4.00 0.00 1.70 1.86 0.97 0.08 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 30 K 8.69 3.91 0.00 2.02 1.95 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 31 N 8.62 4.45 0.00 2.71 2.89 0.00 0.00 7.05 7.34 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 32 Y 7.76 4.17 0.00 3.02 3.19 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 33 L 7.56 3.57 0.00 1.75 1.73 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *75 I 7.56 4.15 1.91 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 1.33 1.27 0.95 0.00 0.00 76 V 7.36 5.19 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 1.30 0.00 0.00 0.97 0.00 0.00 *78 P 0.00 4.26 0.00 2.15 2.04 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 79 V 8.13 4.54 2.25 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 0.88 0.00 0.00 0.96 0.00 0.00 80 P 0.00 4.18 0.00 2.05 1.92 0.00 3.88 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 81 N 8.70 4.01 0.00 2.67 2.79 0.00 0.00 6.73 7.68 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 82 V 6.97 4.27 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 0.79 0.00 0.00 0.84 0.00 0.00 83 R 8.52 4.34 0.00 1.88 1.86 0.00 3.22 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 84 S 10.48 4.35 0.00 4.05 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 0.00 85 S 8.32 4.38 0.00 4.07 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 0.00 86 V 7.54 3.51 2.25 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 0.97 0.00 0.00 0.93 0.00 0.00 87 L 8.02 3.81 0.00 1.66 1.49 0.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.24 3.54 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 89 K 7.79 4.14 0.00 2.15 2.02 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 1.58 7.81 90 V 7.95 3.80 2.21 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 1.01 0.00 0.00 0.92 0.00 0.00 91 I 8.02 3.71 1.99 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.45 0.96 0.00 0.00 92 E 8.48 3.99 0.00 2.19 2.42 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 2.51 2.58 0.00 93 W 8.15 4.01 0.00 2.90 3.35 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 0.00 94 A 8.01 4.09 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.43 4.00 0.00 2.00 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 2.33 2.48 0.00 96 H 7.90 3.83 0.00 2.67 2.66 0.00 5.71 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.14 4.58 0.00 2.60 2.89 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.56 3.87 0.00 1.87 2.03 0.00 2.92 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 99 D 7.67 4.82 0.00 2.50 2.55 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 0.00 0.00 0.00 0.00 100 S 7.26 4.46 0.00 3.38 3.07 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 0.00 101 N 7.80 4.84 0.00 2.48 2.57 0.00 0.00 6.73 7.45 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 0.00 102 F 8.25 5.17 0.00 3.05 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 0.00 103 P 0.00 4.29 0.00 2.11 2.15 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 *116 V 7.70 4.13 2.16 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 0.82 0.00 0.00 0.98 0.00 0.00 117 D 8.11 4.50 0.00 2.97 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 0.00 118 S 8.98 4.16 0.00 4.01 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 0.00 119 W 8.72 4.12 0.00 3.49 3.37 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 0.00 120 D 8.89 4.75 0.00 3.22 3.01 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 0.00 121 R 8.09 3.94 0.00 2.08 2.01 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 122 E 7.67 3.97 0.00 2.07 1.68 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 2.28 2.29 0.00 123 F 7.88 3.89 0.00 1.72 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 0.00 124 L 7.76 4.04 0.00 1.63 1.57 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.90 4.27 0.00 1.93 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 126 V 6.99 4.26 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 0.59 0.00 0.00 0.87 0.00 0.00 127 D 8.16 4.59 0.00 2.74 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 0.00 128 Q 8.83 4.14 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.12 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 129 E 8.29 3.82 0.00 2.19 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 2.34 2.42 0.00 *131 L 7.96 4.13 0.00 1.71 1.87 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.10 4.20 0.00 3.10 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 0.00 133 E 8.30 3.67 0.00 2.03 1.89 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 2.23 2.26 0.00 134 I 7.58 3.63 1.89 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.57 0.80 0.00 0.00 135 I 7.75 3.59 1.93 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 1.44 0.72 0.85 0.00 0.00 136 L 7.54 3.79 0.00 1.64 1.51 0.34 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.31 3.94 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 0.00 138 A 8.37 3.86 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 0.00 139 N 8.53 4.16 0.00 2.80 3.02 0.00 0.00 6.93 7.42 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 0.00 140 Y 8.35 4.12 0.00 2.83 3.10 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 0.00 0.00 0.00 141 L 8.83 3.88 0.00 1.73 1.62 0.88 0.45 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 0.00 142 N 7.66 4.30 0.00 2.72 2.70 0.00 0.00 6.88 9.27 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 0.00 143 I 7.58 4.97 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.87 0.00 0.00 144 K 8.32 3.75 0.00 1.84 1.82 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.59 7.81 145 P 0.00 3.91 0.00 2.29 0.71 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 146 L 7.23 2.96 0.00 0.27 1.20 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.56 3.78 0.00 1.69 1.72 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.09 4.27 0.00 2.78 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 0.00 149 A 8.02 4.06 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 0.00 150 G 8.21 3.57 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 0.00 0.00 0.00 151 C 8.37 4.20 0.00 3.05 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 0.00 152 K 8.61 3.99 0.00 1.91 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 153 V 7.63 3.64 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 0.98 0.00 0.00 154 V 7.54 3.81 2.11 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 0.96 0.00 0.00 1.03 0.00 0.00 155 A 8.25 4.20 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 0.00 156 E 7.95 4.33 0.00 2.21 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 0.00 2.33 2.36 0.00 *158 I 7.71 4.23 2.06 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 1.55 0.79 0.97 0.00 0.00 159 R 8.20 3.74 0.00 1.91 1.86 0.00 3.43 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 160 G 8.86 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 0.00 161 R 7.99 4.80 0.00 1.92 1.84 0.00 3.47 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 162 S 8.53 4.72 0.00 4.06 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 0.00 163 P 0.00 4.48 0.00 2.21 2.22 0.00 3.61 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 2.13 2.23 0.00 164 E 8.15 4.00 0.00 1.99 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 2.42 2.36 0.00 165 E 8.18 3.94 0.00 2.25 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 2.32 2.36 0.00 166 I 8.71 3.76 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.93 1.16 0.00 0.00 167 R 8.25 4.05 0.00 2.13 2.01 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 168 R 7.96 3.89 0.00 1.94 1.94 0.00 3.31 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 1.92 1.81 0.00 169 T 7.41 3.67 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 0.23 0.00 0.00 170 F 7.46 4.69 0.00 2.96 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 0.00 171 N 7.90 4.10 0.00 2.80 2.83 0.00 0.00 7.00 7.25 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 0.00 172 I 8.08 4.24 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.93 0.00 0.00 173 V 7.92 4.08 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 0.79 0.00 0.00 0.91 0.00 0.00 174 N 8.56 4.49 0.00 2.75 2.77 0.00 0.00 7.10 8.47 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 0.00 175 D 7.89 4.71 0.00 2.69 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 0.00 176 F 7.74 4.66 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 8.47 4.19 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 1.24 0.00 0.00 178 P 0.00 4.23 0.00 2.19 2.18 0.00 3.62 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 2.13 2.19 0.00 179 E 8.11 3.89 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 180 E 7.94 3.98 0.00 2.12 2.12 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 2.42 2.64 0.00 181 E 8.50 3.80 0.00 2.33 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 2.32 2.46 0.00 182 A 7.64 3.96 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 0.00 183 A 7.56 4.22 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 0.00 184 I 7.72 4.32 1.67 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.75 0.69 0.00 0.00 185 R 8.02 4.19 0.00 1.77 2.23 0.00 3.24 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.