NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2530 0.0000 0.0000 62.5321 32.5598 175.4500 3 R 4.1196 8.4254 121.2491 54.4701 30.3521 174.7928 4 A 4.4433 8.0748 130.7404 50.1697 18.5464 176.0510 5 K 4.2139 7.9513 120.1213 56.5233 33.6107 178.0520 6 T 3.8535 8.4749 116.3580 66.5272 67.8501 176.6275 7 G 3.8026 7.9979 110.6365 46.0599 0.0000 175.3838 8 V 3.8700 8.4339 118.2799 64.6062 31.1135 178.4407 9 V 3.5185 7.1797 118.7635 66.1341 31.2719 177.9660 10 R 3.8395 7.9539 117.4402 59.4708 30.1172 177.8834 11 R 3.8913 8.0899 117.9734 59.8710 29.8807 178.0658 12 R 3.9082 7.9235 117.0735 59.4659 29.9016 179.2421 13 K 3.9833 7.8580 118.0759 59.5656 32.0578 179.4003 14 H 4.2578 8.2839 117.0012 58.7987 28.7927 177.9835 15 K 4.0476 8.4534 120.9231 59.6876 32.1274 178.8961 16 K 3.9093 8.0424 120.2530 59.1282 32.2363 178.0747 17 I 4.0984 7.2178 119.2828 63.4922 37.5062 177.8715 18 L 3.9938 7.8005 119.5911 57.6103 41.4041 179.6050 19 K 3.8598 7.9968 119.5266 59.5989 31.9920 178.8585 20 L 4.0121 7.6481 117.4671 57.0553 41.8082 178.3713 21 A 3.6899 7.2884 118.8782 50.3308 19.2083 176.6410 22 K 3.7826 6.9273 118.8183 59.0822 32.4612 177.7416 23 G 3.9792 8.7802 110.9661 45.5194 0.0000 173.3724 24 Y 4.7603 7.2358 116.8185 57.2509 38.8437 175.3861 25 W 4.2795 8.9463 132.5490 58.4062 32.6167 176.5729 26 G 3.7937 7.9643 113.3042 46.4023 0.0000 175.7428 27 L 4.1346 8.5727 119.9980 57.2260 42.1033 179.1977 28 R 3.5918 8.2462 118.0614 58.1274 30.0412 177.8316 29 S 4.8393 8.1306 110.2988 57.8025 63.9327 174.4316 30 K 4.2588 7.8033 119.3366 57.8776 34.2889 176.2365 31 S 4.1979 8.9723 118.8696 58.2017 61.7770 175.0778 *32 F 4.0918 8.6904 129.2781 60.8715 37.9897 171.7714 33 R 4.6332 8.4970 114.9875 58.4276 32.1607 177.7420 34 K 3.8219 8.2274 117.6515 59.8279 32.0850 179.0554 35 A 4.6228 7.8848 121.5361 54.6558 18.4254 179.0726 36 R 3.5640 7.8990 116.1947 59.7554 29.6718 178.1919 37 E 3.6254 8.1821 118.2775 59.6470 29.3424 179.6575 38 T 3.6554 8.0029 115.6431 66.7259 68.5864 176.6835 39 L 4.0525 8.1184 121.0110 57.8364 41.4212 179.5972 40 F 4.5243 8.0449 117.5792 60.6616 38.8644 177.6001 41 A 3.5920 7.5999 119.5580 54.9519 18.2115 179.2396 42 A 4.1286 8.1541 119.7808 55.6390 18.3012 180.1516 43 G 3.6528 8.7001 104.2524 48.0210 0.0000 175.5695 44 N 4.5062 7.8797 118.4958 55.8572 38.4032 177.3212 45 Y 4.2755 8.3544 118.6192 60.9847 38.0086 177.8791 46 A 4.4622 8.2252 121.7076 55.5687 18.4794 178.6311 47 Y 4.1701 7.8883 117.3876 61.1869 38.8281 178.6464 48 A 3.9733 8.1701 121.2292 55.4996 18.4910 179.2323 49 H 4.4155 9.2764 115.1265 58.1830 28.5468 178.2676 50 R 3.9253 8.0184 120.7453 59.2338 29.8912 178.7880 51 K 3.8072 7.2307 115.6593 59.3762 32.1571 179.1501 52 R 3.9733 7.7458 118.5702 59.2797 30.1347 177.9898 53 R 4.5047 7.9619 120.2206 59.0373 29.6031 178.2414 54 K 4.1429 7.9994 117.0924 58.5434 31.8678 178.3067 55 R 4.1156 8.6023 118.0767 56.5234 31.4784 177.5917 56 D 4.1586 7.8590 118.6162 56.1110 40.7048 177.8902 57 F 3.6989 7.4014 117.4526 58.8413 39.9230 177.7254 58 R 3.9463 6.9772 117.3225 60.3397 29.7439 178.1681 59 R 4.0788 7.9042 118.1136 57.1480 30.0450 178.7162 60 L 3.7226 7.7717 119.8589 58.9156 42.5494 179.0123 61 W 4.5646 8.0680 118.0155 59.8960 28.9013 178.3528 62 I 3.8068 8.0155 118.1823 64.8823 36.9356 178.2254 63 V 3.5722 8.0342 119.2688 66.1489 31.2797 178.0826 64 R 4.1015 8.0810 115.2083 58.7023 29.6513 178.4352 65 I 3.7235 8.5444 121.0405 64.4371 37.1511 177.3922 66 N 4.5293 8.9225 117.6407 57.7029 38.5674 175.8325 67 A 3.9239 7.8615 118.5458 56.2047 18.6778 178.9628 68 A 4.0447 8.5187 116.5602 55.2801 18.9987 179.3474 69 C 4.1603 8.9184 117.3718 62.9284 31.3878 175.9658 70 R 4.8848 8.7709 122.5005 59.0068 29.4906 178.1441 71 Q 4.0326 7.7154 116.8288 59.0057 28.6595 177.4689 72 H 4.7745 7.5153 114.1374 55.7429 28.7029 175.7565 73 G 4.0766 8.8310 111.3221 44.7221 0.0000 173.9749 74 L 4.8365 7.5533 118.2045 53.3274 43.5679 175.2558 75 N 5.1392 8.2726 117.1873 51.6371 40.3844 175.2445 76 Y 4.1690 8.7370 121.1790 61.4588 38.6830 178.3746 77 S 4.2853 8.4724 115.3072 62.2901 62.9179 176.9541 78 T 4.0120 8.7659 118.2287 66.6114 68.5874 176.6472 79 F 4.2443 8.3919 122.4111 61.9702 39.5590 177.4613 80 I 3.2373 7.5628 119.0051 64.4586 36.8141 178.0054 81 H 4.2752 7.7708 118.5724 59.8173 29.1259 176.7493 82 G 3.7318 8.5529 106.8049 48.2070 0.0000 175.0016 83 L 4.2133 8.1433 119.9063 57.1050 41.7006 179.9572 84 K 3.8787 7.4852 117.6986 59.5237 32.2441 178.6867 85 K 4.1065 7.6972 117.1409 59.0633 32.3723 178.9427 86 A 4.0958 9.2664 121.1626 53.1146 18.0195 179.2123 87 G 3.7966 7.7414 104.4482 45.6010 0.0000 174.8283 88 I 4.0919 6.8917 114.0316 59.9758 35.8608 177.7489 89 E 4.3286 7.7329 123.5338 56.7076 30.7907 177.3080 90 V 3.9063 7.8019 118.8829 62.2901 31.1835 178.8074 91 D 3.8152 9.8047 111.3103 51.6130 43.3277 170.6749 92 R 3.6206 7.8273 126.5350 56.6600 28.8146 178.9696 93 K 4.9899 7.4059 122.0312 58.7303 33.1776 177.2883 94 N 2.0000 7.2566 114.8087 55.6739 38.4873 175.2729 95 L 4.1384 8.5142 116.1406 55.2076 42.0058 176.9324 96 A 4.8478 7.7710 121.7358 52.5022 19.5527 178.4751 97 D 4.5182 7.6883 120.7084 55.9302 39.6486 177.2775 98 L 4.4140 8.1631 121.4470 56.8170 41.6553 178.4805 99 A 3.4581 7.1735 120.5705 54.8844 18.1828 179.0182 100 V 3.7096 7.8925 116.5357 64.2577 31.9074 176.0853 101 R 4.1498 7.2737 117.2802 56.6719 31.6104 176.3625 102 E 3.7513 8.8008 119.4097 57.0833 26.7913 174.5926 103 P 4.5265 0.0000 0.0000 65.9016 31.3794 177.7808 104 Q 4.0100 8.1406 117.8698 58.9177 28.6424 178.7212 105 V 3.6204 7.6832 119.1711 65.8154 31.5153 177.5908 106 F 4.1107 8.3356 119.7166 61.6004 39.2452 176.4695 107 A 3.9992 8.3799 120.2778 55.6257 17.9664 179.3584 108 E 3.8278 7.8250 116.3685 59.5814 29.4017 179.2018 109 L 3.9071 7.5612 118.0534 58.4677 42.0413 179.4033 110 V 2.9116 7.6373 117.9366 65.8080 31.3353 177.4417 111 E 3.7778 8.2456 117.4433 60.0919 29.3536 179.8736 112 R 3.9228 8.0381 116.9909 59.3718 30.3398 178.7770 113 A 4.2173 8.4351 121.2347 54.8175 18.4486 179.1282 114 K 4.2785 7.7152 112.6866 57.9158 32.5137 177.8645 115 A 4.2837 7.8031 123.3518 54.4336 18.9195 178.9183 116 A 4.2947 7.5516 116.7841 52.9839 18.5058 177.9525 117 Q 4.4338 7.6497 115.0991 53.5729 29.6317 175.7559 118 G 3.7252 8.2788 109.8959 45.3589 0.0000 170.5571 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 2 P 0.00 4.25 0.00 2.19 2.12 0.00 3.71 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 1.88 1.96 0.00 3 R 8.43 4.12 0.00 1.86 1.88 0.00 3.22 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 A 8.07 4.44 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 5 K 7.95 4.21 0.00 1.88 1.83 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.46 7.81 6 T 8.47 3.85 4.24 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 1.21 0.00 0.00 7 G 8.00 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 0.00 0.00 0.00 0.00 8 V 8.43 3.87 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 0.77 0.00 0.00 0.93 0.00 0.00 9 V 7.18 3.52 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 0.97 0.00 0.00 0.97 0.00 0.00 10 R 7.95 3.84 0.00 1.91 1.91 0.00 3.31 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 11 R 8.09 3.89 0.00 1.92 1.96 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 12 R 7.92 3.91 0.00 2.12 1.96 0.00 3.35 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 13 K 7.86 3.98 0.00 1.64 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.72 1.59 7.81 14 H 8.28 4.26 0.00 3.46 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.45 4.05 0.00 1.95 2.07 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.45 7.81 16 K 8.04 3.91 0.00 1.87 2.10 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 17 I 7.22 4.10 1.89 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 1.53 0.44 0.90 0.00 0.00 18 L 7.80 3.99 0.00 1.84 1.71 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.00 3.86 0.00 1.94 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 20 L 7.65 4.01 0.00 1.85 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.29 3.69 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 22 K 6.93 3.78 0.00 1.65 1.69 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.49 7.81 23 G 8.78 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 0.00 0.00 0.00 24 Y 7.24 4.76 0.00 3.12 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 25 W 8.95 4.28 0.00 3.50 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 26 G 7.96 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 27 L 8.57 4.13 0.00 1.77 1.77 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.25 3.59 0.00 2.27 2.09 0.00 3.15 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 29 S 8.13 4.84 0.00 4.00 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 30 K 7.80 4.26 0.00 1.72 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.29 7.81 31 S 8.97 4.20 0.00 3.79 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 *32 F 8.69 4.09 0.00 2.42 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 0.00 0.00 0.00 0.00 33 R 8.50 4.63 0.00 1.73 1.87 0.00 3.13 0.00 0.00 3.17 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 34 K 8.23 3.82 0.00 1.96 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 35 A 7.88 4.62 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 36 R 7.90 3.56 0.00 1.71 1.94 0.00 3.09 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.77 0.00 37 E 8.18 3.63 0.00 2.08 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 2.31 2.26 0.00 38 T 8.00 3.66 4.30 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 0.64 0.00 0.00 39 L 8.12 4.05 0.00 1.79 1.81 0.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.04 4.52 0.00 3.22 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 41 A 7.60 3.59 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 42 A 8.15 4.13 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 43 G 8.70 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 44 N 7.88 4.51 0.00 2.76 2.82 0.00 0.00 6.98 8.28 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 45 Y 8.35 4.28 0.00 3.14 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 46 A 8.23 4.46 1.51 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 0.00 0.00 47 Y 7.89 4.17 0.00 3.00 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 48 A 8.17 3.97 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 49 H 9.28 4.42 0.00 3.12 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.02 3.93 0.00 1.78 1.95 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 51 K 7.23 3.81 0.00 1.75 1.78 0.00 1.43 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.21 1.08 7.81 52 R 7.75 3.97 0.00 2.09 1.99 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 53 R 7.96 4.50 0.00 2.06 2.18 0.00 3.37 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 54 K 8.00 4.14 0.00 1.96 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.64 7.81 55 R 8.60 4.12 0.00 1.76 1.86 0.00 3.09 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 56 D 7.86 4.16 0.00 2.23 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 0.00 0.00 0.00 0.00 57 F 7.40 3.70 0.00 2.31 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 58 R 6.98 3.95 0.00 1.87 2.03 0.00 3.10 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 59 R 7.90 4.08 0.00 1.83 1.68 0.00 3.21 0.00 0.00 2.99 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 60 L 7.77 3.72 0.00 1.61 1.44 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.07 4.56 0.00 3.65 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 62 I 8.02 3.81 1.93 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 1.46 0.82 0.22 0.00 0.00 63 V 8.03 3.57 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 1.03 0.00 0.00 0.89 0.00 0.00 64 R 8.08 4.10 0.00 2.13 2.19 0.00 3.03 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 65 I 8.54 3.72 2.38 0.00 0.00 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 1.58 1.05 1.37 0.00 0.00 66 N 8.92 4.53 0.00 2.99 3.14 0.00 0.00 7.15 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 67 A 7.86 3.92 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 68 A 8.52 4.04 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 69 C 8.92 4.16 0.00 3.55 3.45 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 70 R 8.77 4.88 0.00 2.13 2.07 0.00 3.26 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 71 Q 7.72 4.03 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.17 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 72 H 7.52 4.77 0.00 3.11 3.20 0.00 5.64 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 73 G 8.83 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 0.00 0.00 0.00 74 L 7.55 4.84 0.00 1.78 1.75 0.82 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.27 5.14 0.00 3.13 3.06 0.00 0.00 5.54 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 76 Y 8.74 4.17 0.00 3.24 3.08 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 77 S 8.47 4.29 0.00 4.18 4.02 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 78 T 8.77 4.01 4.50 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 1.26 0.00 0.00 79 F 8.39 4.24 0.00 2.93 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 80 I 7.56 3.24 1.49 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.04 0.78 0.00 0.00 81 H 7.77 4.28 0.00 3.47 3.47 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.55 3.73 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 0.00 0.00 0.00 83 L 8.14 4.21 0.00 1.74 1.65 1.16 -0.46 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 84 K 7.49 3.88 0.00 1.93 1.94 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.53 7.81 85 K 7.70 4.11 0.00 1.79 1.79 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.31 7.81 86 A 9.27 4.10 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 87 G 7.74 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 0.00 0.00 0.00 0.00 88 I 6.89 4.09 1.85 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 1.28 0.58 0.90 0.00 0.00 89 E 7.73 4.33 0.00 1.93 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 2.27 2.29 0.00 90 V 7.80 3.91 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 0.92 0.00 0.00 0.91 0.00 0.00 91 D 9.80 3.82 0.00 2.66 2.47 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 92 R 7.83 3.62 0.00 2.03 1.77 0.00 3.06 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 93 K 7.41 4.99 0.00 2.24 2.26 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.82 1.78 7.81 94 N 7.26 2.00 0.00 1.44 2.15 0.00 0.00 6.96 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 95 L 8.51 4.14 0.00 1.70 1.57 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.77 4.85 1.63 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 97 D 7.69 4.52 0.00 2.85 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 98 L 8.16 4.41 0.00 1.81 1.94 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.17 3.46 0.53 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 0.00 100 V 7.89 3.71 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 0.86 0.00 0.00 0.89 0.00 0.00 101 R 7.27 4.15 0.00 1.91 1.82 0.00 3.33 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 102 E 8.80 3.75 0.00 2.19 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 0.00 2.31 2.23 0.00 103 P 0.00 4.53 0.00 2.32 2.47 0.00 3.72 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 104 Q 8.14 4.01 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 105 V 7.68 3.62 2.31 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 1.04 0.00 0.00 0.96 0.00 0.00 106 F 8.34 4.11 0.00 3.35 3.27 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 0.00 107 A 8.38 4.00 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 0.00 108 E 7.82 3.83 0.00 2.17 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 2.31 2.49 0.00 109 L 7.56 3.91 0.00 1.67 1.85 1.03 0.99 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 0.00 110 V 7.64 2.91 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 0.55 0.00 0.00 0.29 0.00 0.00 111 E 8.25 3.78 0.00 2.14 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 2.48 2.47 0.00 112 R 8.04 3.92 0.00 1.92 2.02 0.00 3.30 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 113 A 8.44 4.22 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 0.00 114 K 7.72 4.28 0.00 1.89 1.90 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.44 7.81 115 A 7.80 4.28 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 0.00 116 A 7.55 4.29 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 0.00 117 Q 7.65 4.43 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 118 G 8.28 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.