NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3527 0.0000 0.0000 62.6145 33.1346 176.0411 3 K 4.2626 8.9599 117.1505 59.7410 29.8342 176.4637 4 K 4.6772 6.5327 120.5050 51.7059 34.3483 174.5063 5 V 4.6972 8.3146 125.6936 61.3273 34.5180 174.9376 6 L 4.9627 7.7957 127.8225 55.6955 45.2605 175.0906 7 T 4.5801 7.5591 108.0305 62.9229 70.8664 172.5945 8 G 4.5991 7.6528 113.7320 45.9130 0.0000 170.3508 9 V 4.9114 8.2166 112.4808 59.7616 33.9039 175.7783 10 V 4.3079 9.0484 126.2903 62.8631 32.1807 176.3659 11 V 4.5949 8.1622 119.2396 60.9154 33.4314 175.7085 12 S 4.5863 7.7008 115.5396 57.2819 65.7222 174.2644 13 D 5.1083 8.6103 125.1264 53.1337 40.1234 176.8999 14 K 4.4229 7.7904 114.3405 57.8339 31.2803 176.0891 15 M 4.8309 7.8905 118.4718 53.4513 35.2516 174.8007 16 Q 4.3107 8.4617 118.4620 55.7084 29.5723 176.5124 17 K 4.7470 8.8169 119.7526 56.5500 30.1405 174.5830 18 T 5.2420 7.3779 113.6355 62.1558 72.3131 174.3094 19 V 4.6468 8.3476 116.6744 60.6415 36.6370 174.1144 20 T 4.5346 8.9476 123.2666 63.6874 69.9235 173.8207 21 V 4.8054 9.0698 124.3303 61.1541 35.4286 173.7215 22 L 4.7337 8.9459 130.6469 53.9809 43.5605 175.2000 23 V 4.6011 9.3934 128.0473 61.3015 33.7746 175.0680 24 E 4.9678 8.6483 128.1660 55.6295 31.7696 175.9988 25 R 4.3780 7.6974 109.3134 56.2007 32.9797 174.9483 26 Q 4.6956 9.2734 123.0148 53.4582 31.0805 174.6712 27 F 5.2236 7.8815 120.4538 56.2829 39.4003 171.6864 28 P 4.7049 0.0000 0.0000 62.7970 31.8145 175.9662 29 H 4.4739 9.6825 124.7864 55.4411 30.5570 174.2035 30 P 4.1730 0.0000 0.0000 65.6829 31.2300 177.2340 31 L 4.3583 7.6418 118.8439 54.6717 42.7725 176.0428 32 Y 4.9120 7.9592 113.8574 57.3011 39.4247 177.8168 33 G 4.0397 8.2735 106.9109 45.8942 0.0000 173.7729 34 K 4.0396 7.6434 120.9104 56.8642 33.7520 176.2714 35 V 4.5003 8.0545 123.4931 61.2010 29.9592 174.0310 36 I 3.9469 7.7727 117.3384 59.9537 39.4579 176.7809 37 K 4.4018 8.0917 124.1000 55.2352 33.4831 175.9542 38 R 5.1001 7.9579 124.0639 56.8564 32.7088 173.8751 39 S 5.0796 8.5893 121.4475 57.5275 65.2917 173.2231 40 K 4.6473 8.8501 120.6245 54.8356 35.9253 174.4604 41 K 5.1514 8.4216 125.7477 55.6972 34.2013 174.9798 42 Y 4.6905 9.2025 123.1924 56.2163 40.8745 175.1681 43 L 4.9478 8.6674 121.6257 53.6164 43.1653 175.9396 44 A 4.8035 8.6174 126.3598 51.0150 21.6583 174.9679 45 H 4.9762 8.5887 119.5002 54.9391 31.4058 174.2772 46 D 4.6318 9.2131 128.4026 51.8467 40.6634 174.8026 47 P 4.2734 0.0000 0.0000 65.1255 32.0407 179.1368 48 E 3.9285 8.1800 120.4812 56.6796 30.1126 176.9770 49 E 4.4733 7.9278 115.0186 56.9676 27.0147 174.6207 50 K 4.4374 8.0078 110.4434 56.5231 33.5474 175.8901 51 Y 4.5013 7.9979 116.9504 57.1138 40.3563 175.5345 52 K 4.4708 8.4378 124.7119 54.7456 35.1193 175.1638 53 L 4.1515 8.1655 121.0076 55.5586 42.5539 176.1149 54 G 4.2576 8.1816 116.5246 45.7612 0.0000 172.4981 55 D 5.2009 8.2963 118.5015 52.1341 44.6772 175.7601 56 V 4.6045 8.1014 120.4120 61.6234 33.1725 174.8777 57 V 4.6406 8.3989 121.2530 59.4726 35.7491 174.3088 58 E 4.9472 8.1890 120.5072 54.3024 31.2154 175.9000 59 I 4.6700 8.0522 125.4200 59.9243 39.7705 174.6531 60 I 4.9628 8.4448 124.6783 58.7314 41.7202 174.1065 61 E 4.6113 8.8226 129.2825 56.9464 29.9373 176.0032 62 S 4.7719 7.9383 122.1103 56.4734 67.7049 173.4736 63 R 3.9891 8.4299 120.9115 55.2355 30.3672 174.1359 64 P 4.1482 0.0000 0.0000 63.6091 31.6842 175.9311 65 I 4.2857 7.5126 122.2132 61.5862 39.1246 175.1240 66 S 4.4294 7.4308 112.1874 57.1810 64.8360 174.6519 67 K 3.9798 8.6193 121.9437 56.6844 33.1643 178.3121 68 R 3.5003 8.7110 120.6699 56.6396 29.2786 177.3884 69 K 4.6759 7.9661 127.2334 56.3797 32.4050 175.6707 70 R 4.5178 8.3882 129.0367 54.9244 31.5979 174.6512 71 F 5.1938 8.2074 115.1467 56.4639 44.2285 173.6348 72 R 4.9685 8.9792 118.7200 54.6662 34.9593 174.6388 73 V 3.9157 8.0910 119.8271 61.4531 31.4801 174.6649 74 L 3.9635 8.4113 130.4093 57.6925 41.2968 178.9393 75 R 4.7097 7.5455 112.5155 55.2290 32.9541 173.6603 76 L 4.5702 8.3676 118.9960 54.0770 43.7160 175.8558 77 V 4.1279 8.0657 122.9575 63.9005 32.8550 176.3611 78 E 4.6379 7.5463 114.2000 55.4503 31.8447 174.3378 79 S 4.5307 8.6338 118.0350 58.7293 63.6730 174.1140 80 G 4.1260 9.5004 114.3966 46.4557 0.0000 174.2452 81 R 4.7330 7.5087 126.5216 54.5360 31.7425 177.2573 82 M 4.2367 8.2149 119.6882 58.2657 32.1418 178.0545 83 D 4.3724 8.0643 119.1542 56.6304 39.1761 178.5438 84 L 3.9802 7.5954 119.2117 57.3101 41.5871 179.6005 85 V 3.8708 7.6175 118.0505 65.5773 31.3939 177.6680 86 E 3.9943 8.5021 119.4077 58.9887 29.5146 178.8547 87 K 3.8993 8.1017 117.7743 60.7122 32.2708 177.6468 88 Y 4.2801 8.2453 118.5433 59.8052 38.5168 178.3557 89 L 3.3931 8.3681 118.7420 58.0712 41.9982 179.1449 90 I 3.6297 8.5771 119.2912 64.6369 36.8508 178.1989 91 R 3.5626 7.7744 120.2920 59.5768 30.4465 178.3750 92 R 3.6596 7.4552 117.9697 59.5190 29.9711 177.8857 93 Q 3.8756 8.5459 120.3245 59.6688 28.9214 178.7703 94 N 4.2880 8.5418 116.9114 55.7411 38.6190 176.6423 95 Y 4.5884 8.1250 119.0118 61.5713 37.6965 178.7022 96 E 4.1688 7.7946 118.1201 58.6101 29.4698 177.6565 97 S 4.7416 8.1763 112.8266 58.2017 63.1374 174.1221 98 L 4.8664 7.8798 119.2243 55.1072 42.8309 176.6955 99 S 4.9674 7.6944 115.5614 58.5097 65.6113 173.4506 100 K 4.2623 8.2240 114.5047 56.4985 33.6737 176.0602 *101 R 4.1415 8.0188 121.7442 56.5372 30.0213 177.3936 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 4.35 0.00 2.19 2.17 0.00 3.73 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 1.89 1.99 0.00 3 K 8.96 4.26 0.00 1.76 2.02 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.50 7.81 4 K 6.53 4.68 0.00 1.95 1.80 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.51 7.81 5 V 8.31 4.70 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 0.85 0.00 0.00 0.94 0.00 0.00 6 L 7.80 4.96 0.00 1.24 1.27 -0.38 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.56 4.58 4.19 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 1.20 0.00 0.00 8 G 7.65 4.60 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 0.00 0.00 0.00 9 V 8.22 4.91 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 0.66 0.00 0.00 0.93 0.00 0.00 10 V 9.05 4.31 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 0.99 0.00 0.00 1.02 0.00 0.00 11 V 8.16 4.59 2.22 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 0.69 0.00 0.00 0.77 0.00 0.00 12 S 7.70 4.59 0.00 3.94 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 5.11 0.00 2.84 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 14 K 7.79 4.42 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.45 7.81 15 M 7.89 4.83 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 16 Q 8.46 4.31 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.26 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 17 K 8.82 4.75 0.00 2.05 1.97 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.43 7.81 18 T 7.38 5.24 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 1.31 0.00 0.00 19 V 8.35 4.65 2.10 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 0.83 0.00 0.00 0.96 0.00 0.00 20 T 8.95 4.53 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 1.23 0.00 0.00 21 V 9.07 4.81 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 0.92 0.00 0.00 0.94 0.00 0.00 22 L 8.95 4.73 0.00 1.51 1.40 0.66 0.52 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 23 V 9.39 4.60 2.35 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 0.89 0.00 0.00 0.87 0.00 0.00 24 E 8.65 4.97 0.00 1.90 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 2.29 2.30 0.00 25 R 7.70 4.38 0.00 1.92 2.04 0.00 2.99 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 26 Q 9.27 4.70 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 27 F 7.88 5.22 0.00 3.14 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 28 P 0.00 4.70 0.00 2.06 2.10 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 29 H 9.68 4.47 0.00 3.17 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.17 0.00 2.13 2.09 0.00 3.09 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 31 L 7.64 4.36 0.00 1.45 1.31 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.96 4.91 0.00 2.62 2.69 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 33 G 8.27 4.04 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 0.00 34 K 7.64 4.04 0.00 1.89 1.74 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 35 V 8.05 4.50 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 0.86 0.00 0.00 0.92 0.00 0.00 36 I 7.77 3.95 1.62 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 0.88 -0.36 0.86 0.00 0.00 37 K 8.09 4.40 0.00 1.60 1.79 0.00 1.89 0.00 0.00 2.27 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.21 7.81 38 R 7.96 5.10 0.00 2.09 2.08 0.00 3.52 0.00 0.00 3.53 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 39 S 8.59 5.08 0.00 3.91 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 40 K 8.85 4.65 0.00 1.77 1.65 0.00 1.44 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.48 1.07 7.81 41 K 8.42 5.15 0.00 1.69 1.63 0.00 1.46 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.35 7.81 42 Y 9.20 4.69 0.00 2.82 2.99 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 43 L 8.67 4.95 0.00 1.68 1.68 0.95 0.83 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 44 A 8.62 4.80 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 45 H 8.59 4.98 0.00 3.18 3.26 0.00 5.92 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.21 4.63 0.00 2.76 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 47 P 0.00 4.27 0.00 2.31 2.35 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 48 E 8.18 3.93 0.00 2.00 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 2.33 2.38 0.00 49 E 7.93 4.47 0.00 2.17 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 2.47 2.35 0.00 50 K 8.01 4.44 0.00 1.59 1.69 0.00 1.30 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.91 0.44 7.81 51 Y 8.00 4.50 0.00 3.19 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 52 K 8.44 4.47 0.00 1.87 1.85 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 53 L 8.17 4.15 0.00 1.67 1.65 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.18 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 0.00 0.00 0.00 0.00 55 D 8.30 5.20 0.00 2.73 2.63 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 56 V 8.10 4.60 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 0.97 0.00 0.00 0.93 0.00 0.00 57 V 8.40 4.64 1.92 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 0.64 0.00 0.00 0.81 0.00 0.00 58 E 8.19 4.95 0.00 1.83 1.80 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 2.19 2.06 0.00 59 I 8.05 4.67 1.48 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.73 0.63 0.00 0.00 60 I 8.44 4.96 1.87 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 1.17 1.69 0.97 0.00 0.00 61 E 8.82 4.61 0.00 2.37 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 2.27 2.20 0.00 62 S 7.94 4.77 0.00 3.63 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 63 R 8.43 3.99 0.00 1.73 1.79 0.00 3.24 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 64 P 0.00 4.15 0.00 2.03 1.96 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 1.98 2.05 0.00 65 I 7.51 4.29 1.83 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 1.28 0.72 0.81 0.00 0.00 66 S 7.43 4.43 0.00 3.91 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 67 K 8.62 3.98 0.00 1.73 1.78 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 68 R 8.71 3.50 0.00 1.97 1.77 0.00 3.30 0.00 0.00 3.17 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 69 K 7.97 4.68 0.00 1.84 1.77 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.75 7.81 70 R 8.39 4.52 0.00 1.62 1.32 0.00 3.47 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 71 F 8.21 5.19 0.00 2.97 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 72 R 8.98 4.97 0.00 1.77 1.81 0.00 3.13 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 73 V 8.09 3.92 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 -0.02 0.00 0.00 0.63 0.00 0.00 74 L 8.41 3.96 0.00 1.69 1.52 0.93 0.80 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 75 R 7.55 4.71 0.00 2.04 2.05 0.00 3.02 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 76 L 8.37 4.57 0.00 1.91 1.72 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.07 4.13 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 0.86 0.00 0.00 0.98 0.00 0.00 78 E 7.55 4.64 0.00 2.14 1.99 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 2.23 2.25 0.00 79 S 8.63 4.53 0.00 3.87 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 80 G 9.50 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 0.00 0.00 0.00 81 R 7.51 4.73 0.00 1.80 1.85 0.00 3.31 0.00 0.00 3.53 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 82 M 8.21 4.24 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.06 4.37 0.00 2.87 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 84 L 7.60 3.98 0.00 1.79 1.78 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.62 3.87 2.33 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 1.13 0.00 0.00 1.00 0.00 0.00 86 E 8.50 3.99 0.00 2.21 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 2.63 2.50 0.00 87 K 8.10 3.90 0.00 1.80 1.93 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.50 7.81 88 Y 8.25 4.28 0.00 3.06 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 89 L 8.37 3.39 0.00 1.92 1.58 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.58 3.63 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.85 0.00 0.00 91 R 7.77 3.56 0.00 1.73 1.99 0.00 3.26 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.34 0.00 92 R 7.46 3.66 0.00 1.60 1.74 0.00 2.54 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 93 Q 8.55 3.88 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 94 N 8.54 4.29 0.00 2.66 2.75 0.00 0.00 6.98 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 95 Y 8.13 4.59 0.00 3.09 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 96 E 7.79 4.17 0.00 2.07 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 2.35 0.00 97 S 8.18 4.74 0.00 3.92 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 98 L 7.88 4.87 0.00 1.92 1.71 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.69 4.97 0.00 3.96 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 0.00 100 K 8.22 4.26 0.00 1.71 1.77 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.37 7.81 *101 R 8.02 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.