NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5018 8.3049 118.1931 54.9765 32.5941 173.8980 2 L 4.6361 7.8338 116.5509 51.0026 45.2192 174.9600 3 D 5.0338 8.7415 123.5747 51.1873 44.0612 176.6055 4 A 3.9386 8.8954 122.1879 55.5517 17.9350 180.3318 5 F 4.0347 8.2431 115.4109 60.5308 39.2397 177.6580 6 A 4.0421 10.0987 120.8362 55.0158 18.2104 179.1074 7 K 3.7023 8.3053 118.6660 60.1057 32.1796 178.6070 8 V 3.5394 7.3913 116.6845 66.0925 31.2911 178.2384 9 V 3.4865 7.5246 117.5717 65.8622 31.3840 177.5348 10 A 3.9654 8.3546 120.9828 55.5333 18.0253 179.6652 11 Q 3.8726 8.0623 115.9101 59.0858 28.7388 178.7489 12 A 3.9599 7.9464 121.7429 55.3520 18.1953 179.2282 13 D 4.1437 8.8134 116.5447 57.1581 41.0557 177.9475 14 A 4.1775 7.7937 120.6274 55.4237 18.4503 179.1050 15 R 4.2860 7.6372 112.7352 55.1248 30.9752 176.7310 16 G 4.0475 8.9617 108.7326 46.3140 0.0000 172.6623 17 E 4.8687 8.2058 113.7334 53.9106 33.1416 175.3168 18 F 4.3430 9.0951 118.6589 56.7251 39.9107 175.1074 19 L 4.3223 8.1585 122.2589 54.7130 42.0843 177.5807 20 T 4.2551 9.5786 114.7407 61.0404 69.9613 175.2585 21 N 4.4634 9.1590 121.2913 56.9543 38.4800 176.8230 22 A 4.0114 8.2140 121.2018 55.7010 18.3391 179.3459 23 Q 3.8757 8.1450 115.5436 59.1525 28.8746 179.1418 24 F 4.3528 8.0296 118.0218 61.4077 39.0005 176.7674 25 D 4.3982 8.8016 117.9199 57.4331 40.3697 179.0193 26 A 3.9257 8.2292 121.7680 55.2901 18.9630 179.4710 27 L 3.9046 8.0481 117.1869 58.0946 41.8183 179.6447 28 S 4.2579 8.6143 115.4446 62.0351 62.8614 176.4702 29 N 4.3155 8.6931 119.7222 56.5498 38.3935 176.5115 30 L 3.9251 7.6900 120.7495 58.2113 42.5125 178.5936 31 V 3.8875 8.0196 117.6111 66.1104 31.1259 177.6846 32 K 3.9479 7.8578 116.7988 59.7398 31.7488 178.5612 33 E 4.4458 8.3054 115.9429 57.1534 29.1028 178.6727 34 G 3.8834 8.5886 106.7328 48.3709 0.0000 175.5325 35 N 4.2117 8.0844 117.4135 55.6464 38.8964 177.2535 36 K 4.0061 7.7163 118.5570 59.7182 32.2307 179.1603 37 R 3.9617 8.0063 118.6907 59.6424 29.8449 178.5413 38 L 4.0871 7.8778 118.1852 57.8252 41.7386 178.9807 39 D 4.3454 8.4108 118.7117 57.1264 40.6664 178.3135 40 A 3.9852 8.0625 121.5935 55.1777 18.3731 179.6023 41 V 3.5628 8.0479 115.8195 66.2721 31.6606 177.5727 42 N 4.2590 8.4319 116.7320 56.8913 38.5694 176.6017 43 R 3.9616 8.2957 119.2371 59.5938 30.4888 178.9931 44 I 3.8950 7.8644 119.0756 64.7449 37.0969 178.3053 45 T 3.8568 8.2171 116.9965 67.1234 68.1494 176.6546 46 S 4.3311 8.4638 115.2968 60.4528 62.9714 174.7824 47 N 4.9243 8.0334 117.4253 52.4843 39.8917 176.0276 48 A 3.9389 7.9238 122.3488 55.5008 18.4115 180.1685 49 S 4.0766 8.2024 112.8021 62.2606 62.9301 177.2366 50 T 3.8055 7.7637 117.2927 66.7122 68.3193 176.3019 51 I 3.6794 7.9725 122.1818 65.4946 37.1351 177.6606 52 V 3.5433 8.4060 118.3742 65.2728 31.1337 178.1053 53 A 3.8518 8.2787 119.5060 55.0421 18.7961 179.4942 54 N 4.2363 8.3931 114.8230 56.3741 38.9129 177.4604 55 A 3.9986 8.0821 121.9524 55.1258 18.2633 179.6056 56 A 3.3752 8.1570 119.2605 55.2378 18.2773 179.7041 57 R 3.8569 7.6050 114.9033 60.3741 30.4278 178.3021 58 A 3.9373 8.8441 120.6450 53.9383 18.0881 179.9088 59 L 3.8804 8.6337 116.8061 57.6553 42.5003 180.0238 60 F 4.8991 8.6608 119.0534 59.4932 38.6261 177.3720 61 A 4.2758 8.7410 120.8680 54.1568 18.4977 178.3908 62 E 3.9383 8.0607 117.6135 58.7645 30.3823 177.4935 63 Q 4.4478 8.8191 126.1626 54.0008 27.6910 173.9454 64 P 4.9391 0.0000 0.0000 61.9013 31.9531 178.0798 65 Q 3.8295 7.8187 118.0363 58.1516 29.3644 177.7690 66 L 4.0308 7.8453 118.7522 56.6487 41.8581 177.9619 67 I 4.2049 6.7929 109.9061 60.6302 38.3951 176.0943 68 Q 4.0290 7.4971 121.8122 54.6786 29.1814 173.6192 69 P 2.9700 0.0000 0.0000 64.0871 31.5662 175.2115 70 G 4.0586 8.8441 110.9937 45.5215 0.0000 174.3006 71 G 3.9865 8.6586 108.8737 44.9124 0.0000 173.8018 72 N 3.8994 8.9412 121.2473 56.3102 38.9621 175.8416 *75 A 4.7075 7.7833 117.6448 51.6197 20.2965 175.9296 76 Y 4.1482 8.2495 118.2199 58.6520 39.6435 172.4740 77 T 3.0249 7.2299 120.6919 61.5036 69.8599 172.0981 78 N 4.0847 8.7127 123.1729 56.6463 38.4196 176.6438 79 R 3.8348 8.0232 119.0532 60.1933 29.9215 178.4363 80 R 3.9683 7.7721 117.2169 59.0912 30.0754 178.6448 81 M 4.0338 8.0644 118.0427 58.6167 32.2129 178.1400 82 A 3.9787 8.2958 120.6955 55.3258 18.6447 179.5365 83 A 4.1823 7.8142 119.1557 55.2526 18.3456 179.4079 84 C 4.0575 8.4117 117.8458 62.6001 31.7052 175.4380 85 L 3.9634 8.0738 120.4658 57.9668 41.2407 179.3266 86 R 3.8936 8.3971 118.7458 60.2605 29.8783 177.3777 87 D 4.4318 8.1051 117.7753 58.4368 40.7427 178.5218 88 M 3.8213 8.5014 117.4577 58.9994 32.1588 178.3369 89 E 3.8462 8.7262 118.6766 59.7832 29.9321 179.5731 90 I 3.6800 7.9991 119.6647 64.5734 37.0344 178.3097 91 I 3.7256 7.6586 118.9819 64.3441 37.2802 177.8099 92 L 3.8213 8.1247 121.2834 58.3382 41.5739 178.7406 93 R 3.4951 8.1625 118.7337 59.9674 29.7881 177.7923 94 Y 3.5106 7.5747 115.8080 60.1383 37.7815 178.2396 95 V 3.3966 7.9904 120.1370 66.0455 31.5718 177.7571 96 T 3.8387 7.7374 109.1016 65.3556 68.1414 175.1679 97 Y 4.3035 7.2266 118.8670 60.7977 37.9830 178.3587 98 A 4.0583 7.9849 122.7527 54.5567 18.0654 179.6578 99 I 3.6680 7.9578 117.2826 64.5955 37.3579 177.8849 100 L 4.1008 8.0836 119.9605 58.4573 42.1551 178.7087 101 A 4.2504 8.6448 120.9827 52.6211 18.1078 178.2528 102 G 4.1222 9.0120 104.8399 45.6535 0.0000 173.0537 103 D 4.6196 7.5219 116.4187 51.7552 44.2577 176.1137 104 S 4.2732 9.1575 121.3952 61.0342 63.1949 175.9142 105 S 3.4946 8.3668 112.3805 60.6878 62.4014 176.0063 106 V 3.4537 8.1960 120.1977 65.4848 31.6247 178.0710 107 L 3.8140 7.8154 120.2984 57.6205 42.1131 178.6269 108 D 4.3104 8.3447 118.2861 57.7047 40.7148 178.5779 109 D 4.5105 7.7723 117.6894 57.5083 41.0601 178.5671 110 R 4.2927 7.8800 115.3134 56.6580 30.3149 176.1133 111 C 4.2789 7.3183 117.5391 60.6015 35.2182 174.8998 112 L 3.9108 8.3938 119.0117 57.9150 41.4259 176.5293 113 N 4.0955 8.4242 119.1702 54.2839 38.4076 174.4968 114 G 3.8855 8.9563 113.3959 46.0822 0.0000 174.1988 115 L 3.7882 8.0608 124.2982 57.1143 41.7707 178.6005 116 R 3.9166 8.0155 118.4324 59.7327 29.8994 178.0860 117 E 3.9736 8.0787 117.4159 59.8608 29.5449 178.7320 118 T 3.7476 7.6141 115.4439 67.4556 68.5172 175.8479 119 Y 4.5402 7.6847 117.7607 61.4416 37.8610 178.7925 120 Q 4.0057 8.0234 118.7500 59.0314 28.6660 178.4861 121 A 3.9440 8.3567 121.1245 55.6422 18.5417 179.3462 122 L 4.1683 8.1514 114.9656 54.8230 43.0538 176.9013 123 G 3.8626 8.7845 108.1495 46.9566 0.0000 173.9785 124 T 4.4560 8.5447 113.8015 60.5730 71.6429 172.6234 125 P 4.2849 0.0000 0.0000 62.8239 30.3578 177.0251 126 G 3.8299 8.6537 114.9322 47.8680 0.0000 173.5413 127 S 4.3780 7.9438 114.1882 60.4156 63.7888 176.4000 128 S 4.4084 8.0358 117.0146 60.6857 62.5671 176.3840 129 V 3.6198 7.6668 120.5931 65.2586 31.2637 177.7085 130 A 4.0379 7.7879 120.4589 55.0432 18.3086 179.5369 131 V 3.6436 7.7173 116.2494 66.1109 31.3540 178.1145 132 A 3.9662 7.5325 119.3255 55.1936 18.4693 179.4164 133 I 3.8735 7.7304 117.9009 64.5288 37.3486 178.4173 134 Q 3.9824 8.4091 119.0042 59.3450 28.6762 180.1267 135 K 3.9244 8.2235 119.1138 59.9263 31.9761 179.3456 136 M 4.1405 8.6155 119.2560 57.9412 31.7860 178.5762 137 K 2.4800 7.8597 119.3451 59.0039 32.3331 178.1112 138 D 4.2549 7.7222 118.4314 57.3419 40.9163 178.7656 139 A 3.9013 7.8501 120.6188 55.2117 18.4115 179.2872 140 A 3.9459 8.5999 120.2984 55.4796 18.3596 180.0204 141 I 3.5303 8.3330 118.2803 64.4640 37.0355 178.1565 142 A 3.9428 7.6372 120.1618 55.6098 18.2590 179.5778 143 I 3.8164 7.6503 117.0991 64.2722 37.0369 178.3971 144 A 3.9226 7.8165 121.4023 55.4919 18.2074 178.0797 145 N 4.5697 8.5426 110.7766 53.8655 39.0281 174.5987 146 D 4.4189 7.4955 117.5905 54.5583 41.6178 174.7557 147 P 4.3430 0.0000 0.0000 65.4519 31.9872 176.2672 148 N 4.4002 8.1334 115.2978 53.1279 38.9585 174.3712 149 G 4.0314 8.7382 103.6626 46.1876 0.0000 172.7110 150 I 4.5606 7.5148 117.2639 58.7617 41.1792 174.9758 151 T 3.9115 8.4535 121.7804 62.7515 68.0026 172.6707 152 P 4.1170 0.0000 0.0000 63.5466 31.2505 175.7652 153 G 3.9118 8.0407 109.4551 45.4310 0.0000 171.3104 154 D 4.8142 8.5972 118.7858 53.0789 42.3364 175.5358 155 C 4.8564 8.3276 120.7635 58.2297 30.7191 175.7193 156 S 3.9965 8.3385 116.3147 61.8145 62.1537 176.4499 157 A 3.8960 7.9560 123.5367 54.7815 18.2227 178.9390 158 L 3.8616 7.8931 117.7820 58.6772 42.1737 178.8386 159 M 4.0729 8.7665 118.3800 58.5937 32.0781 178.2384 160 S 3.9973 8.3523 113.8045 61.1620 62.2814 175.3999 161 E 3.6885 8.6646 122.4085 59.4143 29.3150 178.9104 162 I 3.9369 8.1470 119.5962 64.5806 37.2831 177.9865 163 A 4.1102 7.9886 121.6430 55.3503 17.9525 179.6584 164 G 3.4995 7.9883 103.8391 48.2856 0.0000 175.0681 165 Y 4.6133 7.1526 119.9683 60.8094 38.0133 178.9429 166 F 3.9261 8.4350 118.0969 60.8330 39.2364 177.4664 167 D 4.4172 8.7950 118.4861 57.4706 40.5509 178.5732 168 R 3.9110 8.9090 120.1939 59.7733 29.7408 178.2214 169 A 3.9759 7.9304 118.4867 55.1191 18.8914 179.2772 170 A 4.1021 8.1653 118.4740 54.2587 18.2656 179.5701 171 A 4.1140 7.9593 119.1333 54.9892 18.9307 179.4154 172 A 3.9645 7.3267 117.7041 54.9632 18.3132 179.2285 173 V 4.1847 7.3430 108.4590 62.8993 33.1605 175.8367 174 A 4.7001 7.4259 122.6858 51.9689 18.1973 176.9253 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 M 8.30 4.50 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 L 7.83 4.64 0.00 1.74 1.57 0.93 0.71 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 3 D 8.74 5.03 0.00 3.13 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 4 A 8.90 3.94 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 5 F 8.24 4.03 0.00 3.29 3.15 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 6 A 10.10 4.04 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 7 K 8.31 3.70 0.00 1.91 1.83 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.48 7.81 8 V 7.39 3.54 2.19 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 0.86 0.00 0.00 0.93 0.00 0.00 9 V 7.52 3.49 2.24 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 0.93 0.00 0.00 1.00 0.00 0.00 10 A 8.35 3.97 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 11 Q 8.06 3.87 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 12 A 7.95 3.96 1.37 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 0.00 0.00 13 D 8.81 4.14 0.00 2.76 2.81 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 14 A 7.79 4.18 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 15 R 7.64 4.29 0.00 1.74 2.17 0.00 3.49 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 G 8.96 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 0.00 0.00 0.00 0.00 17 E 8.21 4.87 0.00 2.12 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 2.38 2.27 0.00 18 F 9.10 4.34 0.00 2.99 3.16 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 19 L 8.16 4.32 0.00 0.27 0.74 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 20 T 9.58 4.26 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 1.22 0.00 0.00 21 N 9.16 4.46 0.00 2.90 3.05 0.00 0.00 6.85 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 22 A 8.21 4.01 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 23 Q 8.15 3.88 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 24 F 8.03 4.35 0.00 3.32 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 25 D 8.80 4.40 0.00 2.94 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 26 A 8.23 3.93 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 27 L 8.05 3.90 0.00 2.02 1.89 1.01 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.61 4.26 0.00 3.98 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 29 N 8.69 4.32 0.00 2.81 3.02 0.00 0.00 6.90 6.63 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 30 L 7.69 3.93 0.00 1.59 1.71 0.61 0.84 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 31 V 8.02 3.89 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 0.99 0.00 0.00 1.31 0.00 0.00 32 K 7.86 3.95 0.00 2.00 1.90 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.76 1.67 7.81 33 E 8.31 4.45 0.00 2.01 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 2.57 2.48 0.00 34 G 8.59 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 0.00 0.00 0.00 35 N 8.08 4.21 0.00 2.79 2.94 0.00 0.00 6.90 7.58 0.00 0.00 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 K 7.72 4.01 0.00 2.02 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.48 7.81 37 R 8.01 3.96 0.00 1.95 2.21 0.00 3.17 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 38 L 7.88 4.09 0.00 1.96 1.72 1.01 1.14 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 39 D 8.41 4.35 0.00 2.79 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 40 A 8.06 3.99 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.05 3.56 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 1.08 0.00 0.00 1.01 0.00 0.00 42 N 8.43 4.26 0.00 2.98 2.96 0.00 0.00 7.25 8.41 0.00 0.00 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 R 8.30 3.96 0.00 2.02 2.02 0.00 3.27 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 44 I 7.86 3.90 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.06 0.99 0.00 0.00 45 T 8.22 3.86 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 46 S 8.46 4.33 0.00 3.94 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 47 N 8.03 4.92 0.00 2.77 2.76 0.00 0.00 6.67 8.53 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 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0.00 0.00 0.00 0.89 0.00 0.00 125 P 0.00 4.28 0.00 2.19 2.25 0.00 3.65 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 2.03 1.96 0.00 126 G 8.65 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 0.00 127 S 7.94 4.38 0.00 4.02 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 0.00 128 S 8.04 4.41 0.00 4.00 3.97 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 0.00 129 V 7.67 3.62 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 1.12 0.00 0.00 0.32 0.00 0.00 130 A 7.79 4.04 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 0.00 131 V 7.72 3.64 2.23 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 1.01 0.00 0.00 0.97 0.00 0.00 132 A 7.53 3.97 1.31 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 0.00 133 I 7.73 3.87 2.13 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 1.56 0.83 1.11 0.00 0.00 134 Q 8.41 3.98 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 135 K 8.22 3.92 0.00 1.95 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.60 7.81 136 M 8.62 4.14 0.00 2.31 2.60 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 137 K 7.86 2.48 0.00 1.39 1.78 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.18 0.92 7.81 138 D 7.72 4.25 0.00 2.88 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 0.00 139 A 7.85 3.90 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 0.00 140 A 8.60 3.95 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 0.00 141 I 8.33 3.53 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.85 0.00 0.00 142 A 7.64 3.94 1.35 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 0.00 0.00 143 I 7.65 3.82 1.86 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 1.42 0.91 0.00 0.00 144 A 7.82 3.92 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 0.00 145 N 8.54 4.57 0.00 2.61 2.81 0.00 0.00 7.27 8.48 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 0.00 146 D 7.50 4.42 0.00 2.73 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 0.00 147 P 0.00 4.34 0.00 2.21 2.16 0.00 3.82 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 1.98 1.98 0.00 148 N 8.13 4.40 0.00 3.03 2.81 0.00 0.00 7.01 7.46 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 0.00 149 G 8.74 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 0.00 0.00 0.00 150 I 7.51 4.56 1.88 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 1.30 0.95 1.03 0.00 0.00 151 T 8.45 3.91 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 0.00 152 P 0.00 4.12 0.00 2.17 2.10 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 153 G 8.04 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 0.00 0.00 0.00 154 D 8.60 4.81 0.00 2.62 2.57 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 0.00 155 C 8.33 4.86 0.00 3.14 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 0.00 156 S 8.34 4.00 0.00 4.02 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 0.00 157 A 7.96 3.90 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 0.00 158 L 7.89 3.86 0.00 1.78 1.89 0.98 0.88 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 0.00 159 M 8.77 4.07 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 160 S 8.35 4.00 0.00 3.93 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 0.00 161 E 8.66 3.69 0.00 1.95 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 2.07 2.11 0.00 162 I 8.15 3.94 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.08 1.12 0.00 0.00 163 A 7.99 4.11 1.37 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 0.00 0.00 164 G 7.99 3.50 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 0.00 165 Y 7.15 4.61 0.00 3.19 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 0.00 166 F 8.44 3.93 0.00 3.30 3.17 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 0.00 167 D 8.80 4.42 0.00 2.89 2.76 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 0.00 0.00 0.00 168 R 8.91 3.91 0.00 1.97 2.26 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 169 A 7.93 3.98 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 0.00 170 A 8.17 4.10 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 0.00 171 A 7.96 4.11 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 0.00 172 A 7.33 3.96 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 0.00 173 V 7.34 4.18 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 0.96 0.00 0.00 1.09 0.00 0.00 174 A 7.43 4.70 1.35 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.