NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5728 8.1933 115.4303 57.2160 64.6340 174.3530 3 P 4.4263 0.0000 0.0000 65.3675 31.0396 177.6353 4 G 3.7029 9.8848 106.5184 47.8601 0.0000 175.3989 5 E 4.0921 8.3007 121.0607 59.2533 29.4891 179.6662 6 R 4.1483 8.4820 118.3932 59.3953 30.1184 178.9541 7 F 3.7216 8.6942 120.6123 60.7639 39.1943 177.0856 8 L 3.5985 8.1136 120.3236 57.9103 41.8616 178.4036 9 D 4.2517 8.2158 118.1049 56.8906 41.1248 178.0406 10 W 4.0660 7.9954 128.8729 60.5318 30.6402 177.9765 11 L 3.5211 7.5339 119.1387 57.5320 40.6720 179.7469 12 K 3.7747 7.9624 118.6780 59.3149 31.6894 179.6936 13 R 3.7589 7.6094 117.7097 58.9161 30.2332 178.5022 14 L 4.1546 7.4922 121.5522 57.6160 41.5960 178.8431 15 Q 3.1647 7.9936 119.5406 57.9361 28.5427 177.3029 16 G 3.8179 7.2093 104.5062 44.2524 0.0000 173.3180 17 Q 4.6505 7.1610 120.4090 53.7189 30.8898 176.9423 18 K 4.0056 8.5352 118.6061 59.4464 32.2916 178.4068 19 A 4.2136 7.9794 120.2771 53.1000 18.9451 178.8016 20 W 4.2991 8.3721 126.5212 60.7166 30.7288 177.7993 21 T 3.4666 7.9277 114.7961 66.6839 67.9228 176.2180 22 A 3.8548 7.7096 121.6667 54.8638 18.4632 179.3938 23 A 2.6065 7.4850 119.4822 54.6825 18.1808 179.8014 24 R 3.0865 7.3099 117.4586 59.0226 29.8871 178.5770 25 A 3.8180 7.3346 119.7853 55.0352 18.4047 179.5212 26 A 4.1154 7.8474 119.2125 55.4148 18.2878 179.8182 27 F 4.6407 8.0413 115.5396 60.9535 39.3852 177.8795 28 R 4.1232 8.2701 117.6958 59.4683 30.0006 179.4143 29 R 3.9686 8.0247 118.0318 59.0267 29.9530 179.1707 30 S 3.6468 7.8765 113.8588 60.8137 62.6131 176.3902 31 L 4.0373 7.6850 121.6689 57.2446 41.3789 178.1475 32 A 4.3192 7.7078 118.1339 51.4467 19.0156 176.5019 33 F 4.8716 7.5497 115.4408 54.3226 43.1637 173.1906 34 P 4.4023 0.0000 0.0000 62.0394 31.6883 174.5985 35 P 4.4147 0.0000 0.0000 64.3718 31.6084 176.8578 36 G 3.1938 8.7316 109.9055 45.5084 0.0000 173.2898 37 A 4.5304 7.7946 120.2545 51.5072 19.5212 176.3602 38 Y 4.3088 7.4882 120.7803 56.0144 39.3114 174.1665 39 P 4.1209 0.0000 0.0000 65.5988 31.4718 178.5795 40 R 3.8723 7.2436 114.1502 58.6005 30.4805 176.6764 41 A 4.8222 8.0698 122.7760 51.6190 18.4497 177.0026 *43 P 4.3057 0.0000 0.0000 62.8758 33.6336 178.1311 44 Y 4.8004 7.6225 114.3079 59.0248 38.8072 176.8627 45 V 4.4712 8.1038 118.1793 64.2712 33.0830 177.0127 46 E 4.0672 8.4101 117.8176 59.0738 29.0816 177.3420 47 P 4.2695 0.0000 0.0000 65.3757 31.7798 178.1466 48 F 3.4467 7.6417 119.0061 60.9537 39.3077 177.2828 49 L 4.0692 7.8521 118.1771 57.5444 41.1599 179.0670 50 A 4.1159 8.0708 119.7034 53.9865 18.3706 178.7109 51 K 4.2498 7.6464 115.3354 57.9380 32.8664 176.2389 52 G 4.0317 7.9644 108.7383 43.6075 0.0000 172.4941 53 D 4.5214 7.0547 114.2754 51.4143 40.9946 174.9200 54 W 5.2001 7.8692 121.2917 54.4651 32.1142 176.6771 55 R 4.5081 9.3425 121.1715 54.9266 32.1599 177.7052 56 Q 4.0202 8.6498 120.8538 59.9595 28.9170 178.7646 57 E 4.3419 8.2181 119.9833 59.0107 29.5658 179.1898 58 E 4.0662 8.1537 118.1450 59.1374 29.7420 179.0555 59 R 3.6535 8.3022 119.0049 59.4515 29.6619 178.3827 60 E 4.1081 8.6889 118.5747 59.4103 29.4706 179.1271 61 A 4.0095 7.9643 120.7571 55.5318 18.3902 179.3828 62 H 3.4025 7.8096 114.2960 59.0578 28.6563 177.7183 63 Y 3.9713 7.8140 118.3232 60.8254 37.6491 178.5739 64 L 4.0596 8.3023 120.3094 57.8711 41.7191 179.7485 65 V 3.7503 7.9594 117.9437 65.8767 31.4206 177.8432 66 A 3.6402 8.2408 120.4079 54.8828 18.0755 179.4663 67 A 4.1092 7.9794 119.0996 55.5285 18.5511 179.9420 68 L 4.0693 8.1300 117.5142 57.9886 41.6779 179.1702 69 Y 2.7925 8.3234 119.7814 60.2952 38.6606 178.0351 70 A 4.4758 8.4997 121.8902 55.1225 18.2688 179.2695 71 L 3.9991 7.9654 118.2155 57.7321 42.3780 178.3750 72 K 4.4486 7.9162 116.4177 55.0074 32.5193 176.0703 73 D 4.7025 9.0654 117.0255 55.4162 40.1027 173.9716 74 G 2.4313 7.7787 100.9192 45.8559 0.0000 175.3178 75 D 4.6141 7.6038 121.6465 53.6533 39.4446 172.9926 76 H 5.4890 8.2195 121.0037 54.4942 31.8856 173.7108 77 Q 4.2872 8.6626 126.1453 53.9097 31.7985 174.5079 78 V 3.7704 8.2698 126.9511 64.4305 32.1282 175.1179 79 G 4.0248 9.1683 115.1387 45.3662 0.0000 173.7781 80 R 4.1708 7.3163 120.7053 54.9006 28.6934 175.6625 81 T 4.1989 7.6295 114.2324 60.4276 71.1916 174.7833 82 L 3.6543 8.0544 123.1031 58.3064 41.9523 179.1210 83 A 3.8022 7.1210 119.8967 55.2640 18.3856 179.7117 84 R 3.7043 7.5770 116.0482 59.2176 29.9450 179.1836 85 A 3.9842 8.1660 120.9071 55.0338 18.2168 179.7423 86 L 3.9544 8.0773 117.7971 57.5151 41.4712 179.3541 87 W 3.1543 7.6926 127.5030 60.0853 30.6599 177.4463 88 E 3.8048 8.1494 118.4273 59.4008 29.0092 179.4183 89 K 3.8686 7.7592 119.1471 59.1955 31.4012 178.5845 90 A 4.2720 7.9724 120.9251 54.4766 18.0162 179.2465 91 Q 3.7661 7.1494 115.6561 57.5909 28.6998 177.0868 92 G 3.8450 7.2238 107.6902 45.3836 0.0000 174.0014 93 S 4.4594 7.9000 115.2240 55.8168 65.9370 174.4662 94 A 4.0554 8.6595 130.1675 55.0904 18.3105 178.9433 95 S 4.1881 8.1487 112.1081 61.3887 62.7592 176.8088 96 V 3.7458 7.8316 122.3953 65.7310 31.1384 177.3636 97 E 4.1364 8.2792 120.7285 58.6057 29.3798 178.7170 98 K 3.9887 8.1126 119.1169 59.6313 32.3106 178.8559 99 R 3.9370 7.6471 117.1109 59.0226 29.8952 178.8499 100 F 4.2767 8.4812 120.5724 61.4169 39.5723 177.2611 101 L 3.6411 8.3087 118.8114 57.5792 41.1456 179.3584 102 A 4.0193 8.0244 120.1271 55.0120 18.6003 179.1166 103 L 4.0914 7.9261 118.8426 58.3763 41.9913 179.2188 104 L 4.0672 7.6928 117.9677 57.4385 41.5849 177.9792 105 E 4.2165 7.8062 115.3629 56.3772 30.0140 176.6025 106 A 4.2042 7.7389 122.9568 52.9099 18.9954 177.1105 107 D 5.2853 8.7516 122.8241 51.7162 42.0884 177.1297 108 R 4.1464 8.7177 116.9143 59.8079 29.9585 177.8716 109 D 4.6035 8.4228 116.0086 55.7599 41.3232 177.5025 110 Q 4.6274 7.9976 116.7002 56.1063 30.4360 177.1043 111 I 3.4786 7.9370 120.0778 64.0779 37.9100 177.5402 112 A 3.9561 7.9701 120.7902 55.2319 18.2889 179.2492 113 F 4.2383 8.2116 118.6682 61.6298 39.6207 177.4287 114 R 4.3296 8.2704 118.9431 58.3046 29.7200 179.0272 115 L 4.0352 7.8717 119.3745 57.4803 41.4870 179.2565 116 R 3.8573 7.8488 118.6413 59.4600 30.0441 178.6390 117 Q 3.7815 7.9004 117.6213 58.7502 28.6709 178.6203 118 A 3.9625 7.9119 121.6762 55.3328 17.9820 179.9232 119 V 3.5605 8.1930 116.8279 65.9828 31.2895 178.0248 120 A 4.0711 7.5895 119.9952 54.7880 18.2004 179.0435 121 L 4.1492 7.6039 116.7248 56.2290 42.2500 178.1530 122 V 3.9594 6.7468 110.3130 60.8387 32.3404 175.2720 123 E 4.5750 8.5214 121.1101 55.5726 32.6197 176.6448 124 G 3.8691 8.7859 107.9358 44.7140 0.0000 173.0210 125 G 4.1684 8.0749 107.1928 45.5949 0.0000 172.9420 126 I 4.5221 7.6031 113.1694 57.9397 40.8598 174.5366 127 D 4.8372 8.4170 120.8482 53.5809 40.5535 176.6536 128 F 4.2951 8.9085 126.2432 59.5998 39.1747 177.4468 129 A 4.1846 8.2778 120.6101 55.3316 18.3446 179.4679 130 R 3.9621 8.7900 117.7041 59.3006 30.0278 178.3111 131 L 4.1306 8.1789 120.3549 58.1732 42.0188 178.8248 132 L 3.9535 8.0780 120.1076 58.3610 41.8647 178.4316 133 D 4.4633 8.0287 117.4974 57.7106 41.1462 178.5202 134 D 4.6368 8.7199 119.5480 57.4919 40.9836 178.8236 135 L 4.0458 8.4219 119.7670 57.7646 41.3345 179.6010 136 L 4.2113 8.2185 118.3806 56.7996 41.8543 178.6515 137 R 4.6048 7.6361 115.9558 55.5258 30.2787 177.5393 138 W 3.7068 7.7442 130.6771 59.9730 30.6492 176.6232 139 F 4.8619 7.8164 114.4527 57.1014 38.8696 175.6599 140 S 4.3049 7.6856 115.9457 57.5346 62.7513 173.3893 141 P 4.2656 0.0000 0.0000 65.8166 31.1896 177.7099 142 E 3.9318 8.0239 115.5596 56.9970 29.7708 176.6352 143 R 3.7735 7.5675 116.9135 56.1076 28.4777 178.3105 144 H 4.2382 7.9233 116.0776 58.7015 28.7165 177.3038 145 V 3.4906 7.4298 119.7223 66.1279 31.0620 177.9426 146 Q 3.4480 7.3173 116.9448 58.6369 28.5442 178.6362 147 A 4.0682 7.6559 121.7738 55.1332 18.3581 179.7013 148 R 3.9892 8.2534 117.3505 59.3480 30.0952 178.7928 149 W 4.3762 8.8956 119.0431 59.8305 29.0761 178.2388 150 A 4.5192 8.4613 120.8616 55.4531 17.8329 179.7317 151 R 3.9966 8.1186 116.7525 59.6204 29.9718 178.5774 152 E 3.9382 8.4132 117.9785 59.7261 29.1613 178.2355 153 Y 3.7647 8.3292 120.0637 60.4877 38.6707 177.0532 154 Y 4.3424 8.6100 118.6017 60.1147 38.5465 177.2652 155 G 3.8394 8.0406 107.6814 44.9559 0.0000 175.3129 156 A 3.3953 6.9942 123.5954 54.3577 18.1279 178.9359 157 G 3.7809 6.6779 101.3255 44.9378 0.0000 173.5073 158 A 4.0836 7.3027 122.7448 51.5427 18.9484 178.8176 159 S 4.2816 8.4818 114.0867 58.6354 63.1297 174.2480 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 S 8.19 4.57 0.00 4.26 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 3 P 0.00 4.43 0.00 2.47 2.66 0.00 3.94 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 4 G 9.88 3.70 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 0.00 0.00 0.00 5 E 8.30 4.09 0.00 2.37 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 0.00 2.41 2.43 0.00 6 R 8.48 4.15 0.00 2.37 2.42 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 7 F 8.69 3.72 0.00 2.88 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 8 L 8.11 3.60 0.00 1.82 1.83 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.22 4.25 0.00 2.90 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 10 W 8.00 4.07 0.00 3.40 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.52 0.00 0.82 0.15 -0.20 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.96 3.77 0.00 1.82 1.74 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.58 7.81 13 R 7.61 3.76 0.00 1.59 1.73 0.00 3.30 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 14 L 7.49 4.15 0.00 1.52 1.66 1.14 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.99 3.16 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 16 G 7.21 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 0.00 0.00 0.00 17 Q 7.16 4.65 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 18 K 8.54 4.01 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 19 A 7.98 4.21 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 20 W 8.37 4.30 0.00 3.56 3.12 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 0.00 21 T 7.93 3.47 4.15 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 1.10 0.00 0.00 22 A 7.71 3.85 1.29 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 0.00 0.00 23 A 7.49 2.61 0.06 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 24 R 7.31 3.09 0.00 0.67 1.07 0.00 3.05 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.20 0.00 25 A 7.33 3.82 1.27 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 0.00 0.00 26 A 7.85 4.12 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 27 F 8.04 4.64 0.00 3.07 3.05 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 28 R 8.27 4.12 0.00 1.96 1.98 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 29 R 8.02 3.97 0.00 1.86 1.87 0.00 3.31 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 30 S 7.88 3.65 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 31 L 7.68 4.04 0.00 1.83 1.82 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.71 4.32 1.02 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 0.00 0.00 33 F 7.55 4.87 0.00 3.00 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 34 P 0.00 4.40 0.00 2.23 2.02 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 35 P 0.00 4.41 0.00 2.10 2.19 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 36 G 8.73 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 0.00 0.00 0.00 37 A 7.79 4.53 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 38 Y 7.49 4.31 0.00 2.89 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 39 P 0.00 4.12 0.00 1.78 1.99 0.00 3.22 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 40 R 7.24 3.87 0.00 1.62 2.04 0.00 3.10 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 41 A 8.07 4.82 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 0.00 0.00 0.00 0.00 0.00 *43 P 0.00 4.31 0.00 1.35 1.93 0.00 3.66 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 1.71 2.00 0.00 44 Y 7.62 4.80 0.00 3.48 3.28 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 45 V 8.10 4.47 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 0.46 0.00 0.00 1.18 0.00 0.00 46 E 8.41 4.07 0.00 2.12 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 0.00 2.63 2.47 0.00 47 P 0.00 4.27 0.00 2.43 2.35 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 48 F 7.64 3.45 0.00 1.51 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.07 0.00 1.77 1.75 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.07 4.12 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 51 K 7.65 4.25 0.00 1.55 1.68 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.54 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.34 1.43 7.81 52 G 7.96 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 53 D 7.05 4.52 0.00 2.32 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 54 W 7.87 5.20 0.00 3.27 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 55 R 9.34 4.51 0.00 2.02 1.92 0.00 3.20 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 56 Q 8.65 4.02 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 57 E 8.22 4.34 0.00 2.16 2.15 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 2.40 2.29 0.00 58 E 8.15 4.07 0.00 2.45 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 2.61 2.55 0.00 59 R 8.30 3.65 0.00 1.92 2.21 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 60 E 8.69 4.11 0.00 2.26 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 2.54 2.68 0.00 61 A 7.96 4.01 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 62 H 7.81 3.40 0.00 2.82 2.21 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.81 3.97 0.00 3.19 3.02 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 64 L 8.30 4.06 0.00 1.89 1.75 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.96 3.75 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0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 99 R 7.65 3.94 0.00 2.18 2.00 0.00 3.33 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 1.67 1.79 0.00 100 F 8.48 4.28 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 3.64 0.00 1.70 1.67 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.02 4.02 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 0.00 103 L 7.93 4.09 0.00 2.00 1.98 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.69 4.07 0.00 1.62 1.55 0.68 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.81 4.22 0.00 2.03 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 2.29 2.54 0.00 106 A 7.74 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 5.29 0.00 3.07 2.97 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 0.00 108 R 8.72 4.15 0.00 1.70 1.87 0.00 2.95 0.00 0.00 2.86 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 109 D 8.42 4.60 0.00 2.82 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 0.00 110 Q 8.00 4.63 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 111 I 7.94 3.48 1.83 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.82 0.96 0.00 0.00 112 A 7.97 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 0.00 113 F 8.21 4.24 0.00 3.09 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 0.00 114 R 8.27 4.33 0.00 1.88 1.95 0.00 3.25 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 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0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.08 3.95 0.00 1.88 1.84 0.55 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.03 4.46 0.00 2.97 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 0.00 134 D 8.72 4.64 0.00 3.30 3.04 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 0.00 135 L 8.42 4.05 0.00 1.80 1.67 0.92 0.52 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 0.00 136 L 8.22 4.21 0.00 1.89 1.87 0.98 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 0.00 137 R 7.64 4.60 0.00 1.90 1.93 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 138 W 7.74 3.71 0.00 3.21 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 0.00 139 F 7.82 4.86 0.00 3.20 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 0.00 140 S 7.69 4.30 0.00 3.88 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 0.00 141 P 0.00 4.27 0.00 2.06 2.10 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 142 E 8.02 3.93 0.00 1.59 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 2.25 2.25 0.00 143 R 7.57 3.77 0.00 1.85 1.72 0.00 3.02 0.00 0.00 3.14 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.38 0.00 144 H 7.92 4.24 0.00 3.13 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.43 3.49 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.91 0.00 0.00 146 Q 7.32 3.45 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 147 A 7.66 4.07 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 0.00 148 R 8.25 3.99 0.00 2.07 2.27 0.00 3.20 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.77 0.00 149 W 8.90 4.38 0.00 3.63 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.52 1.64 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 0.00 0.00 151 R 8.12 4.00 0.00 2.23 2.13 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 152 E 8.41 3.94 0.00 2.09 1.90 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 2.34 2.70 0.00 153 Y 8.33 3.76 0.00 2.31 2.60 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 0.00 154 Y 8.61 4.34 0.00 3.35 3.12 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 0.00 155 G 8.04 3.84 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 0.00 0.00 0.00 156 A 6.99 3.40 -0.09 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 0.00 0.00 157 G 6.68 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.30 4.08 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 0.00 159 S 8.48 4.28 0.00 3.98 3.86 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 * Residues marked with a * may have inaccurate shift predictions.