NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *13 E 4.3767 8.4293 116.7559 55.3698 32.4546 175.6407 14 D 4.8770 7.9293 117.0894 53.7023 39.5070 173.6882 15 C 4.9091 8.3750 116.3120 57.6968 32.7226 173.7975 16 P 4.2839 0.0000 0.0000 63.1629 31.6997 176.2529 17 Q 4.5168 8.7257 120.6641 54.2354 29.6487 175.9467 18 D 4.6603 8.4390 123.1898 52.6631 41.8440 176.9021 19 R 3.8912 8.5316 118.2261 59.9087 29.8110 178.0536 20 E 4.0718 8.2111 117.6865 59.3510 29.1371 178.7767 21 E 4.0179 9.1633 119.8227 59.1552 29.6685 178.5267 22 L 4.3933 7.9054 122.3737 57.4488 42.0266 179.0672 23 G 3.7706 8.2692 105.9796 48.0988 0.0000 175.8635 24 R 4.3023 8.2972 119.5008 58.9872 29.4609 178.6431 25 N 4.5328 8.4141 117.2310 56.3700 38.4779 177.5986 26 T 4.1089 8.4444 117.6779 66.3250 68.5983 177.0299 27 W 4.1441 8.4775 121.1395 59.5062 29.0794 178.3698 28 A 3.2117 8.1896 120.8377 54.8522 17.8087 179.4644 29 F 4.1467 8.1363 118.9636 61.4147 39.4393 177.2882 30 L 3.3035 7.9175 118.8490 58.0745 41.4244 179.4194 31 H 3.7725 7.9007 116.2121 58.7638 28.0055 178.0845 32 T 4.0358 7.3442 117.6517 66.1406 68.0685 176.6827 33 L 3.8610 7.5900 121.7795 58.1500 42.2428 178.6880 34 A 4.3508 8.1496 120.7405 55.0911 18.0193 179.4587 35 A 3.9713 7.9080 118.4939 54.5067 18.4517 178.3837 36 Y 4.4024 7.3167 112.2353 56.9712 39.2461 175.5457 37 Y 4.3743 7.3083 122.3653 56.6588 39.4417 173.7401 38 P 4.4532 0.0000 0.0000 62.7405 32.0527 177.4858 39 D 4.1919 8.5735 121.3527 56.8628 41.2238 176.8291 40 M 4.6438 7.4000 118.0213 52.4775 31.9423 172.9074 41 P 4.4051 0.0000 0.0000 62.1487 32.8236 178.1113 42 T 4.1875 8.6314 111.9788 60.7388 70.9455 173.9762 43 P 4.2021 0.0000 0.0000 65.8587 31.1637 178.8572 44 E 3.9663 8.0730 116.8951 59.5166 29.3712 179.2594 45 Q 4.0009 8.0211 118.1544 58.8880 28.2401 178.7270 46 Q 4.4510 8.2996 120.7193 58.5449 28.7277 178.6450 47 Q 3.9629 8.2333 120.5878 59.1704 29.0262 177.9356 48 D 4.3518 8.3219 120.1429 57.7495 40.9132 178.5689 49 M 3.8858 8.3422 118.7250 58.3582 32.0782 178.1171 50 A 3.8056 7.8619 121.1488 55.0439 18.5065 179.4309 51 Q 3.9580 8.3302 118.2994 59.0897 29.0482 177.9864 52 F 4.1187 8.6439 122.1955 61.5553 39.3991 177.2448 53 I 3.8476 7.9787 119.3444 64.5002 36.6651 177.8225 54 H 4.2043 8.0861 118.0823 59.5839 30.0429 177.0925 55 I 3.8909 8.2543 121.9407 64.2088 36.9206 178.0825 56 F 4.0446 8.4769 122.2135 61.4110 38.9645 177.4017 57 S 4.0390 8.2557 112.4042 60.9348 62.7651 175.9471 58 K 3.9771 7.6623 120.8769 57.2270 32.1306 177.2676 59 F 4.5459 7.6563 114.5385 56.5937 40.4192 174.5866 60 Y 3.7828 7.7472 123.2508 57.8907 38.2224 174.7217 61 P 3.7100 0.0000 0.0000 65.8486 32.0247 176.9667 62 C 4.0436 7.1083 121.7826 56.8221 45.5651 173.9587 63 E 3.8783 8.7338 128.7491 59.6486 29.2142 179.2198 64 E 3.9870 8.1235 116.8914 59.6104 29.5394 179.7131 65 C 4.3471 8.1855 116.7367 59.7540 40.5522 175.7100 66 A 3.9102 8.3755 122.7222 55.1751 17.8032 179.2982 67 E 3.8790 8.3465 117.9143 59.2272 29.6543 178.5795 68 D 4.3766 8.1798 118.3872 57.4255 41.3998 178.3298 69 I 3.8169 8.0211 113.7923 64.0629 37.4313 178.2711 70 R 3.9746 8.1403 119.8289 59.0066 29.7960 179.1736 71 K 4.0076 7.8426 118.2137 59.6527 32.1137 179.7346 72 R 4.0418 8.0672 118.3231 59.2701 29.7197 179.2329 73 I 4.1042 8.4089 119.3862 64.4242 37.1911 177.8475 74 D 5.1239 8.2103 120.6674 56.8524 40.6787 178.4046 75 R 4.3374 7.8064 118.2731 57.5776 31.0970 176.1187 76 S 4.6928 8.0145 112.8469 55.4904 62.8466 172.7941 77 Q 4.2836 8.2880 124.2959 54.4769 29.4126 174.4792 78 P 2.0000 0.0000 0.0000 61.9852 31.3090 175.7488 79 D 4.4581 7.9578 122.3424 53.4094 40.3561 175.6184 80 T 4.3477 7.9968 115.6780 61.1350 69.1318 176.1227 81 S 4.4422 8.5988 118.9307 61.0633 63.1368 174.7005 82 T 4.8770 8.1365 109.8423 58.8463 73.1095 174.7232 83 R 4.3012 8.1780 121.0441 59.6634 30.0313 178.8244 84 V 3.6281 7.8524 117.7630 66.0928 31.5984 177.9476 85 S 4.2172 8.5735 114.4973 61.4683 62.7053 176.2927 86 F 4.6140 8.9933 126.1208 60.5882 39.2525 177.4054 87 S 3.8779 8.7342 114.3432 61.4044 62.6061 176.5845 88 Q 3.9554 8.3770 121.7594 58.4316 28.4941 178.1401 89 W 4.0884 8.4720 129.6523 60.5463 30.6442 177.7783 90 L 3.1060 8.1400 120.3045 57.8288 41.4080 178.1274 91 C 4.0798 7.8512 118.5249 59.6502 39.2859 175.8122 92 R 3.7213 8.0662 120.0135 58.8322 29.4643 178.8026 93 L 3.6139 7.3852 120.2103 58.3698 41.9708 178.5101 94 H 3.4341 7.9245 118.2474 59.1492 29.4990 176.9553 95 N 4.2236 8.0226 118.2030 56.0733 38.2908 177.2857 96 E 3.9265 7.9203 120.2899 59.3004 29.5318 179.4938 97 V 3.6966 7.6562 118.1724 65.8427 31.6088 177.8292 98 N 4.3355 8.2878 116.5581 56.4507 38.4227 177.5150 99 R 3.9346 8.1914 119.5537 59.1542 29.9258 178.9709 100 K 3.9689 7.9608 118.3190 59.1238 32.2595 177.8406 101 L 4.5348 7.7488 116.2394 53.9776 41.7908 177.3570 102 G 3.9056 7.7020 106.7167 45.9329 0.0000 174.3356 103 K 4.3581 8.2708 118.8087 54.4508 33.0788 175.2146 104 P 4.4635 0.0000 0.0000 62.4890 31.9291 175.9746 105 D 4.5738 8.3137 120.3606 53.7607 41.5818 176.2712 106 F 4.2637 8.4979 126.1256 57.1595 40.4127 174.9996 107 D 4.3669 7.3986 126.5756 53.8233 40.1739 177.1911 108 C 4.5532 8.7400 125.5529 59.5378 40.4440 176.1959 109 S 4.1549 8.3380 113.0556 59.9245 62.9547 174.9693 110 R 4.6725 8.1674 120.5923 55.9075 30.6212 178.0533 111 V 3.9368 7.9265 121.7981 65.1889 31.0413 178.0572 112 D 4.3251 8.0634 119.0722 57.0531 40.7447 178.2995 113 E 3.9597 7.9470 119.9778 58.7721 29.3036 179.2622 114 R 2.7298 7.4626 117.2727 58.1237 30.2366 177.6599 115 W 4.8351 7.8962 115.0402 56.4840 30.3744 175.4241 116 R 4.4698 8.2061 116.4376 57.5832 31.4399 176.0184 117 D 4.4438 7.9536 116.1953 54.4718 41.4688 178.0761 118 G 3.8077 7.8460 104.1584 44.4412 0.0000 172.8334 119 W 4.6616 7.8897 118.5807 56.8491 29.4687 177.9841 120 K 4.1061 9.4321 122.4808 59.0563 31.5781 177.7940 121 D 4.4759 8.2311 116.4718 53.4811 39.8072 177.0807 122 G 3.9700 8.5435 109.1628 46.1218 0.0000 175.5805 123 S 4.3632 8.7130 114.5968 60.0240 63.1828 174.2379 124 C 4.3533 7.6588 122.6644 60.0246 27.9729 173.2553 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 *13 E 8.43 4.38 0.00 2.01 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 2.13 1.88 0.00 14 D 7.93 4.88 0.00 2.81 2.74 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 15 C 8.38 4.91 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.28 0.00 2.02 1.98 0.00 3.66 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 2.02 2.11 0.00 17 Q 8.73 4.52 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 18 D 8.44 4.66 0.00 2.96 2.84 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 19 R 8.53 3.89 0.00 1.91 2.02 0.00 3.23 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 20 E 8.21 4.07 0.00 2.31 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 2.45 2.50 0.00 21 E 9.16 4.02 0.00 2.03 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 2.63 2.37 0.00 22 L 7.91 4.39 0.00 1.82 1.73 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.27 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.30 4.30 0.00 2.28 2.41 0.00 2.90 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.85 0.00 25 N 8.41 4.53 0.00 3.10 2.99 0.00 0.00 7.00 7.20 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 26 T 8.44 4.11 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 1.23 0.00 0.00 27 W 8.48 4.14 0.00 3.47 3.03 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 28 A 8.19 3.21 1.65 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 29 F 8.14 4.15 0.00 3.16 3.24 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 30 L 7.92 3.30 0.00 1.49 1.33 0.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.90 3.77 0.00 1.40 1.85 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.34 4.04 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 1.41 0.00 0.00 33 L 7.59 3.86 0.00 0.97 1.48 0.67 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.15 4.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 3.97 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 36 Y 7.32 4.40 0.00 3.02 3.03 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 37 Y 7.31 4.37 0.00 3.15 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 38 P 0.00 4.45 0.00 1.76 1.76 0.00 2.43 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 39 D 8.57 4.19 0.00 2.63 2.71 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 40 M 7.40 4.64 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 41 P 0.00 4.41 0.00 2.01 1.29 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 42 T 8.63 4.19 4.31 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 1.22 0.00 0.00 43 P 0.00 4.20 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 44 E 8.07 3.97 0.00 2.04 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 2.39 2.45 0.00 45 Q 8.02 4.00 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 46 Q 8.30 4.45 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.44 0.00 47 Q 8.23 3.96 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 48 D 8.32 4.35 0.00 3.04 2.71 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 49 M 8.34 3.89 0.00 1.20 1.82 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.05 0.00 50 A 7.86 3.81 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 51 Q 8.33 3.96 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 52 F 8.64 4.12 0.00 3.27 3.22 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 53 I 7.98 3.85 2.05 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.84 1.19 0.00 0.00 54 H 8.09 4.20 0.00 3.21 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.25 3.89 1.86 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 1.50 0.63 1.03 0.00 0.00 56 F 8.48 4.04 0.00 2.82 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 57 S 8.26 4.04 0.00 4.10 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 58 K 7.66 3.98 0.00 1.58 1.30 0.00 1.47 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.42 7.81 59 F 7.66 4.55 0.00 2.87 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 60 Y 7.75 3.78 0.00 1.99 2.51 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 61 P 0.00 3.71 0.00 1.56 1.80 0.00 2.80 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 62 C 7.11 4.04 0.00 2.84 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 63 E 8.73 3.88 0.00 2.00 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 2.33 2.31 0.00 64 E 8.12 3.99 0.00 2.17 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 0.00 2.39 2.37 0.00 65 C 8.19 4.35 0.00 3.42 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 66 A 8.38 3.91 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 67 E 8.35 3.88 0.00 2.03 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 0.00 2.31 2.30 0.00 68 D 8.18 4.38 0.00 2.87 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 69 I 8.02 3.82 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.83 0.94 0.00 0.00 70 R 8.14 3.97 0.00 2.04 2.03 0.00 3.08 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 71 K 7.84 4.01 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.72 7.81 72 R 8.07 4.04 0.00 2.06 2.02 0.00 3.22 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 73 I 8.41 4.10 2.20 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.82 1.09 0.00 0.00 74 D 8.21 5.12 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.81 4.34 0.00 1.83 2.15 0.00 3.23 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 76 S 8.01 4.69 0.00 3.96 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 77 Q 8.29 4.28 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 78 P 0.00 2.00 0.00 1.36 0.49 0.00 3.55 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 79 D 7.96 4.46 0.00 2.70 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 80 T 8.00 4.35 3.90 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 0.00 0.00 0.00 0.57 0.00 0.00 81 S 8.60 4.44 0.00 4.04 4.09 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 82 T 8.14 4.88 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 1.25 0.00 0.00 83 R 8.18 4.30 0.00 2.11 2.18 0.00 3.32 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 1.72 2.00 0.00 84 V 7.85 3.63 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 1.08 0.00 0.00 0.96 0.00 0.00 85 S 8.57 4.22 0.00 4.29 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 F 8.99 4.61 0.00 3.14 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 87 S 8.73 3.88 0.00 4.00 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 88 Q 8.38 3.96 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 89 W 8.47 4.09 0.00 3.50 3.47 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 90 L 8.14 3.11 0.00 1.48 1.47 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 91 C 7.85 4.08 0.00 3.09 3.18 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 92 R 8.07 3.72 0.00 1.82 1.84 0.00 3.17 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 93 L 7.39 3.61 0.00 0.77 1.18 0.85 0.57 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 94 H 7.92 3.43 0.00 2.44 2.85 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.02 4.22 0.00 2.96 2.79 0.00 0.00 7.01 7.28 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 96 E 7.92 3.93 0.00 2.20 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 2.30 2.41 0.00 97 V 7.66 3.70 2.32 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 1.22 0.00 0.00 1.19 0.00 0.00 98 N 8.29 4.34 0.00 2.89 3.08 0.00 0.00 7.00 8.36 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 99 R 8.19 3.93 0.00 2.01 1.98 0.00 3.19 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 100 K 7.96 3.97 0.00 1.79 2.09 0.00 1.95 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.51 7.81 101 L 7.75 4.53 0.00 1.72 1.72 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.70 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 0.00 103 K 8.27 4.36 0.00 1.82 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.44 7.81 104 P 0.00 4.46 0.00 2.04 1.97 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 105 D 8.31 4.57 0.00 2.63 2.58 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 0.00 0.00 0.00 0.00 106 F 8.50 4.26 0.00 2.91 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 0.00 107 D 7.40 4.37 0.00 2.45 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 0.00 0.00 0.00 108 C 8.74 4.55 0.00 3.06 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 0.00 109 S 8.34 4.15 0.00 3.99 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 0.00 110 R 8.17 4.67 0.00 1.83 2.06 0.00 3.09 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 111 V 7.93 3.94 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 0.94 0.00 0.00 1.00 0.00 0.00 112 D 8.06 4.33 0.00 2.70 2.71 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 0.00 113 E 7.95 3.96 0.00 2.02 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.24 0.00 114 R 7.46 2.73 0.00 1.53 1.81 0.00 2.59 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 0.72 0.50 0.00 115 W 7.90 4.84 0.00 3.29 3.11 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 0.00 0.00 0.00 0.00 116 R 8.21 4.47 0.00 1.54 1.86 0.00 2.79 0.00 0.00 2.98 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.00 117 D 7.95 4.44 0.00 2.65 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 0.00 118 G 7.85 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 0.00 0.00 0.00 119 W 7.89 4.66 0.00 3.53 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 0.00 120 K 9.43 4.11 0.00 1.79 1.92 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.59 7.81 121 D 8.23 4.48 0.00 2.79 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 0.00 122 G 8.54 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 0.00 0.00 0.00 123 S 8.71 4.36 0.00 4.02 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 0.00 124 C 7.66 4.35 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.