NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9174 8.3431 109.7371 45.0278 0.0000 173.0914 -1 G 4.0737 8.4948 107.4277 42.2066 0.0000 168.8161 0 V 3.7104 8.2234 120.7029 61.5996 32.9629 173.6716 1 M 4.6066 8.4238 122.2680 55.3602 32.9774 175.3146 2 S 4.9624 8.9118 121.5204 56.6501 66.9845 173.0223 3 L 4.8468 8.9027 123.6939 54.0752 43.1479 175.6210 4 L 4.2702 9.1024 127.4454 54.0631 43.4085 174.7048 5 C 4.9452 8.7710 128.7605 57.9203 33.2322 172.2724 6 V 4.7617 8.9154 127.3185 61.0805 33.7670 174.3763 7 G 4.2062 8.9945 116.2662 43.6615 0.0000 173.0051 8 V 4.0247 8.9307 129.0089 62.0657 31.5034 176.3513 9 K 4.5915 9.0789 128.6786 56.9149 32.4169 177.7835 10 K 4.9371 7.3979 115.6390 56.5751 36.2398 172.7460 11 A 5.2282 8.5556 121.3531 50.1601 23.5688 175.1505 12 K 4.3176 8.9469 119.5318 55.0807 35.0455 174.9697 13 F 5.2678 8.5993 126.9407 55.9636 41.0624 176.4007 14 D 4.5993 9.2599 122.6085 52.6042 39.6913 175.7137 15 G 4.1913 7.7357 112.7927 45.0193 0.0000 169.4147 16 A 4.3916 7.8405 121.5158 51.3608 19.1111 178.1689 17 Q 4.2766 9.3152 121.6883 58.5689 28.9635 179.0645 18 E 4.1889 8.1707 112.4099 57.9640 29.8517 177.2221 19 K 4.1101 8.0023 118.2726 56.6679 32.7574 176.2400 20 F 4.8834 7.9487 117.9126 55.6887 42.5156 173.7488 21 N 5.4576 10.1196 122.7709 51.9397 40.5493 172.6697 22 T 6.0874 9.5074 115.0902 58.9389 72.4972 172.6645 23 Y 5.5547 8.2396 119.5659 55.4514 42.5058 173.7278 24 V 4.6601 8.4916 119.9200 61.4068 34.2461 174.1654 25 T 5.0182 9.0273 124.7101 61.8576 71.2514 173.2330 26 L 5.0057 8.7760 126.4349 52.9189 44.1265 175.5069 27 K 5.0790 8.7998 124.0331 54.4827 35.3474 175.7060 28 V 4.3654 8.6793 122.5165 61.0085 34.9402 173.4349 29 Q 3.2168 9.4810 122.6474 57.3998 27.2450 173.7480 30 N 4.3426 8.2835 111.2969 53.9375 38.2377 172.8662 31 V 4.6482 7.7168 109.7582 59.9292 35.1607 174.1318 32 K 5.7585 8.0037 118.1305 56.7190 35.1835 175.3465 33 S 4.9052 8.6245 116.4820 57.4147 67.5805 172.9642 34 T 5.1611 8.2642 117.4765 62.0240 72.3658 174.0058 35 T 5.0213 8.8156 116.0071 60.4442 70.1834 173.9226 36 I 4.2003 8.4529 115.3936 60.8101 38.6783 175.1671 37 A 5.0858 8.5885 124.5583 51.5525 19.9479 177.0707 38 V 4.4958 9.0681 120.8200 61.0196 35.1463 174.4376 39 R 4.6901 8.8658 128.1558 55.8094 30.8717 175.1035 40 G 4.3577 8.5225 111.8023 43.1514 0.0000 173.8246 41 S 4.3708 8.6951 115.6041 60.1381 63.8438 174.5408 42 Q 5.4951 7.6690 116.5069 52.5096 27.8180 173.9480 43 P 4.1277 0.0000 0.0000 62.6250 33.3491 176.7814 44 S 4.6022 8.0558 116.4465 56.6562 63.8322 172.9146 45 W 4.5433 9.0303 126.1366 56.8349 30.6780 176.5822 46 E 3.8528 7.9739 116.9651 57.7700 27.0535 174.5559 47 Q 4.6076 8.3686 119.1597 54.3612 32.5634 174.6409 48 D 5.3007 8.3053 124.9745 52.7571 43.8760 175.2105 49 F 4.8202 9.0660 119.7611 55.8874 43.1676 173.7234 50 M 5.0576 8.3406 121.0789 53.5130 34.6585 175.1385 51 F 4.8634 8.8910 120.9024 55.6294 43.0892 174.1788 52 E 4.6783 9.0322 122.6653 55.8309 30.2123 175.6746 53 I 4.8225 8.9970 127.1123 59.3106 39.8262 176.1997 54 N 5.2427 9.4570 122.8440 52.0200 38.0007 173.8281 55 R 4.7868 7.7079 113.2444 55.6644 31.9930 174.5606 56 L 4.5108 8.3715 119.4512 54.4959 42.1675 176.4133 57 D 4.6158 7.7676 118.5521 53.6809 40.9935 177.8248 58 L 3.9558 8.8638 118.4389 55.0572 39.5515 172.8438 59 G 3.8523 8.5157 107.3070 45.8399 0.0000 171.5730 60 L 4.5694 8.2797 122.3256 53.8572 43.5492 175.2005 61 T 4.8750 8.7665 124.2067 62.1972 70.6162 173.8369 62 V 4.6096 8.8085 127.5767 61.3365 33.4607 174.0767 63 E 4.9291 9.2388 128.2712 54.4391 32.5912 175.1383 64 V 4.5777 8.4968 124.6847 61.0114 33.7697 174.2410 65 W 5.0096 8.6133 128.0655 54.7698 32.2421 174.4760 66 N 5.1561 9.3336 123.4093 52.2334 39.5947 174.0648 67 K 4.7564 9.2197 129.5920 56.4897 32.9704 176.1869 68 G 4.4606 9.2058 114.8649 42.0754 0.0000 172.6456 69 L 4.0096 8.3552 120.5798 57.5866 42.2414 177.5982 70 I 4.3242 7.2901 116.8197 61.7232 39.0743 175.6270 71 W 5.3279 6.9626 114.8047 54.8642 31.1420 173.0993 72 D 5.4716 8.6713 118.8244 53.3223 42.9242 175.8900 73 T 4.9729 8.8706 117.7192 61.7101 71.8256 173.2727 74 M 3.3857 8.8086 126.6805 56.0011 32.1899 175.8717 75 V 3.7148 8.5732 127.6512 64.2487 32.2973 175.8993 76 G 4.0141 7.1451 105.2211 46.5266 0.0000 171.0707 77 T 5.3668 8.1521 113.5603 60.3695 71.2951 172.8250 78 V 4.9085 8.8254 125.2052 59.6379 35.2596 173.8675 79 W 5.1310 8.9221 131.8687 55.7114 33.2592 174.5381 80 I 4.2643 7.8095 127.9556 58.2926 39.2560 173.4119 81 P 3.7875 0.0000 0.0000 62.1631 31.9273 177.5495 82 L 3.9336 8.5828 122.6410 57.8759 41.8025 179.6251 83 R 3.9164 8.0392 117.7004 58.7383 30.1064 176.8492 84 T 4.5278 7.1847 105.1524 60.9917 69.0463 174.5404 85 I 3.8280 7.5739 123.8036 61.4009 37.7137 176.1458 86 R 4.0894 8.5508 121.2430 56.7005 30.7349 175.7519 87 Q 4.9728 8.5542 121.2673 55.4178 29.0835 174.6107 88 S 4.7341 8.7478 117.1201 57.4452 65.7276 174.5667 89 N 5.4060 8.8941 120.7086 52.3311 37.8513 174.3220 90 E 4.2478 7.9145 121.4558 54.6418 30.1632 175.4141 91 E 3.8395 8.7787 127.8079 56.2844 30.2159 175.9703 92 G 4.1439 8.7444 114.8515 42.9337 0.0000 171.5224 93 P 4.2534 0.0000 0.0000 63.3770 31.8671 177.4653 94 G 3.9014 8.2142 104.0738 45.2902 0.0000 172.1049 95 E 4.7434 8.3246 118.0335 53.7883 32.9283 175.7290 96 W 4.6715 8.8032 123.2099 56.7253 29.9286 175.4992 97 L 4.8622 9.1778 125.7919 53.0228 44.0507 176.0747 98 T 4.6214 8.6092 120.9879 63.3265 69.1356 174.5663 99 L 4.3318 8.9186 127.3411 54.5562 42.9957 176.2085 100 D 4.6413 9.1462 123.5681 52.9054 42.3400 176.7559 101 S 4.3108 9.0090 120.6010 58.7226 61.3645 175.2101 *112 G 3.9372 8.6529 104.6428 44.4832 0.0000 173.0260 113 T 4.4672 7.5416 108.7062 60.1891 69.8031 174.7435 114 K 4.2225 7.7533 121.7549 55.9107 32.8884 176.5157 115 D 4.4432 8.5484 122.5235 53.7255 41.2987 175.0300 116 P 4.2044 0.0000 0.0000 63.0325 31.9040 175.5310 117 T 4.3820 7.7390 116.3219 61.6906 70.3421 173.9116 118 F 4.8570 8.5485 124.3510 55.9503 41.9992 173.8951 119 H 5.4198 8.7541 122.1294 54.3364 31.6440 173.8328 120 R 5.3701 9.0103 119.3656 54.5955 34.7982 174.0315 121 I 4.9634 8.9302 121.5019 59.1907 41.8146 173.8018 122 L 4.3190 8.4533 131.2881 53.3138 43.3844 174.8862 123 L 5.0849 8.3625 128.2441 53.4498 45.6696 174.2957 124 D 5.2794 9.1024 125.8173 52.8153 43.6156 174.8001 125 A 5.2945 8.2457 125.1037 51.0109 22.4382 175.0420 126 H 4.9052 8.7705 115.0731 54.6160 32.5497 172.7351 127 F 5.2831 9.2252 120.9802 56.8736 40.7814 175.7519 128 E 4.3880 9.3433 120.7560 56.8517 29.6474 174.8891 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 G 8.34 3.92 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 0.00 0.00 0.00 -1 G 8.49 4.07 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 0.00 0 V 8.22 3.71 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 0.69 0.00 0.00 0.93 0.00 0.00 1 M 8.42 4.61 0.00 2.07 2.02 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 2.75 2.56 0.00 2 S 8.91 4.96 0.00 3.78 3.82 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 3 L 8.90 4.85 0.00 1.75 1.61 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.10 4.27 0.00 1.41 1.61 0.17 0.49 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 5 C 8.77 4.95 0.00 2.97 2.43 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 6 V 8.92 4.76 2.30 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 1.04 0.00 0.00 1.01 0.00 0.00 7 G 8.99 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.93 4.02 2.34 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 0.77 0.00 0.00 1.00 0.00 0.00 9 K 9.08 4.59 0.00 1.72 1.68 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.58 7.81 10 K 7.40 4.94 0.00 1.85 1.83 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.22 1.45 7.81 11 A 8.56 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.95 4.32 0.00 1.72 1.50 0.00 1.26 0.00 0.00 1.34 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.20 1.27 7.81 13 F 8.60 5.27 0.00 2.25 1.74 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 14 D 9.26 4.60 0.00 2.83 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 15 G 7.74 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 0.00 0.00 0.00 0.00 16 A 7.84 4.39 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 17 Q 9.32 4.28 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 18 E 8.17 4.19 0.00 2.12 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 0.00 2.27 2.27 0.00 19 K 8.00 4.11 0.00 1.54 1.32 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.45 7.81 20 F 7.95 4.88 0.00 3.18 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 21 N 10.12 5.46 0.00 2.77 2.71 0.00 0.00 6.32 6.87 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 22 T 9.51 6.09 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 1.35 0.00 0.00 23 Y 8.24 5.55 0.00 3.22 3.29 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 24 V 8.49 4.66 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 0.80 0.00 0.00 -0.25 0.00 0.00 25 T 9.03 5.02 4.53 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 1.30 0.00 0.00 26 L 8.78 5.01 0.00 1.43 1.35 0.70 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.80 5.08 0.00 1.63 1.65 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.36 7.81 28 V 8.68 4.37 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 -0.31 0.00 0.00 0.83 0.00 0.00 29 Q 9.48 3.22 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.21 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 30 N 8.28 4.34 0.00 2.90 2.94 0.00 0.00 7.06 7.71 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 31 V 7.72 4.65 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 0.83 0.00 0.00 1.16 0.00 0.00 32 K 8.00 5.76 0.00 1.83 1.73 0.00 1.14 0.00 0.00 2.38 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 33 S 8.62 4.91 0.00 3.63 3.76 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 34 T 8.26 5.16 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 1.14 0.00 0.00 35 T 8.82 5.02 4.34 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 1.17 0.00 0.00 36 I 8.45 4.20 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 1.00 0.00 0.00 37 A 8.59 5.09 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 38 V 9.07 4.50 1.84 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 0.75 0.00 0.00 0.92 0.00 0.00 39 R 8.87 4.69 0.00 1.90 1.85 0.00 3.38 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 40 G 8.52 4.36 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 0.00 41 S 8.70 4.37 0.00 3.82 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 42 Q 7.67 5.50 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 43 P 0.00 4.13 0.00 0.90 1.93 0.00 3.36 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.04 0.00 44 S 8.06 4.60 0.00 3.74 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.03 4.54 0.00 3.60 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 46 E 7.97 3.85 0.00 2.08 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 0.00 2.29 2.38 0.00 47 Q 8.37 4.61 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.77 0.00 0.00 0.00 0.00 0.00 1.19 1.94 0.00 48 D 8.31 5.30 0.00 2.47 2.45 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 49 F 9.07 4.82 0.00 2.85 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.34 5.06 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 51 F 8.89 4.86 0.00 2.95 2.93 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 0.00 0.00 0.00 52 E 9.03 4.68 0.00 1.92 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 0.00 2.32 2.37 0.00 53 I 9.00 4.82 2.29 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 1.46 1.08 0.00 0.00 54 N 9.46 5.24 0.00 3.01 2.99 0.00 0.00 6.12 7.23 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 55 R 7.71 4.79 0.00 1.98 1.89 0.00 3.03 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 56 L 8.37 4.51 0.00 1.59 1.67 0.74 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.77 4.62 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.86 3.96 0.00 2.02 1.97 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.52 3.85 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 0.00 0.00 0.00 60 L 8.28 4.57 0.00 1.49 1.27 0.67 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.77 4.87 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 1.31 0.00 0.00 62 V 8.81 4.61 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 0.90 0.00 0.00 0.85 0.00 0.00 63 E 9.24 4.93 0.00 2.07 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 2.20 2.28 0.00 64 V 8.50 4.58 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 1.26 0.00 0.00 0.97 0.00 0.00 65 W 8.61 5.01 0.00 1.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.33 5.16 0.00 2.78 2.72 0.00 0.00 6.73 6.93 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 67 K 9.22 4.76 0.00 2.13 1.94 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.53 7.81 68 G 9.21 4.46 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 0.00 69 L 8.36 4.01 0.00 1.48 1.53 0.88 0.91 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 70 I 7.29 4.32 1.71 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 1.46 0.61 1.18 0.00 0.00 71 W 6.96 5.33 0.00 3.47 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 72 D 8.67 5.47 0.00 2.50 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 73 T 8.87 4.97 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 1.31 0.00 0.00 74 M 8.81 3.39 0.00 1.72 1.15 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 75 V 8.57 3.71 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 0.58 0.00 0.00 0.85 0.00 0.00 76 G 7.15 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 0.00 0.00 0.00 77 T 8.15 5.37 4.12 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 0.00 0.00 1.18 0.00 0.00 78 V 8.83 4.91 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 0.83 0.00 0.00 0.98 0.00 0.00 79 W 8.92 5.13 0.00 3.22 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 80 I 7.81 4.26 1.59 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 0.73 0.00 0.00 81 P 0.00 3.79 0.00 2.10 2.04 0.00 3.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 82 L 8.58 3.93 0.00 1.94 1.95 1.05 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.04 3.92 0.00 1.77 1.97 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 84 T 7.18 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 1.22 0.00 0.00 85 I 7.57 3.83 2.14 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.72 0.00 0.00 86 R 8.55 4.09 0.00 1.92 2.08 0.00 2.94 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 87 Q 8.55 4.97 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 88 S 8.75 4.73 0.00 3.86 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 89 N 8.89 5.41 0.00 2.87 2.94 0.00 0.00 6.30 7.66 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 90 E 7.91 4.25 0.00 1.93 1.85 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 2.22 2.20 0.00 91 E 8.78 3.84 0.00 1.96 1.81 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 2.27 2.31 0.00 92 G 8.74 4.14 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 0.00 0.00 0.00 93 P 0.00 4.25 0.00 2.17 2.17 0.00 3.71 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 1.95 1.95 0.00 94 G 8.21 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 0.00 0.00 0.00 0.00 95 E 8.32 4.74 0.00 1.88 1.84 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 2.21 2.22 0.00 96 W 8.80 4.67 0.00 3.20 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 97 L 9.18 4.86 0.00 1.57 1.59 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.61 4.62 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 1.32 0.00 0.00 99 L 8.92 4.33 0.00 1.65 1.66 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 100 D 9.15 4.64 0.00 2.74 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 0.00 101 S 9.01 4.31 0.00 3.85 2.96 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 *112 G 8.65 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 0.00 0.00 0.00 113 T 7.54 4.47 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 0.00 114 K 7.75 4.22 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 115 D 8.55 4.44 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 1.66 1.90 0.00 3.74 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 2.11 2.07 0.00 117 T 7.74 4.38 4.06 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 1.12 0.00 0.00 118 F 8.55 4.86 0.00 2.96 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 0.00 119 H 8.75 5.42 0.00 3.25 3.52 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 9.01 5.37 0.00 1.95 2.11 0.00 2.82 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 121 I 8.93 4.96 1.97 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 1.10 1.84 0.94 0.00 0.00 122 L 8.45 4.32 0.00 0.27 0.92 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.36 5.08 0.00 1.69 1.35 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.10 5.28 0.00 2.84 2.48 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 0.00 0.00 0.00 0.00 125 A 8.25 5.29 1.06 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 0.00 0.00 126 H 8.77 4.91 0.00 3.27 3.30 0.00 5.26 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 9.23 5.28 0.00 3.00 2.90 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 0.00 128 E 9.34 4.39 0.00 2.04 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 0.00 2.36 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.