NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.4266 0.0000 0.0000 61.9017 33.1522 176.2463 7 K 3.8171 8.6850 120.8324 59.2922 32.1892 178.0434 8 Y 3.4805 8.2856 116.2987 58.7282 39.3734 176.8736 *10 Q 4.2633 8.1254 119.1331 55.8377 31.0562 177.6996 11 I 3.6649 7.7651 118.5120 64.4201 37.1179 178.4179 12 I 3.5334 7.6994 120.7015 64.5816 36.7502 178.2768 13 D 4.3374 7.9799 118.9101 57.2007 40.6516 178.5164 14 A 3.9616 8.0999 121.2344 54.8502 18.2581 179.4442 15 A 3.8224 8.3755 119.8330 55.2280 18.4360 179.8466 16 V 3.4725 7.7708 116.6607 66.1181 31.4688 177.7921 17 E 3.8747 7.8475 118.7950 59.3631 29.5073 178.9627 18 V 3.5435 7.9330 118.3345 66.1640 31.5700 178.0749 19 I 4.2827 8.3590 121.0088 63.6795 36.6400 178.4205 20 A 3.9331 7.8444 120.9251 55.3104 18.3657 179.3111 21 E 4.0563 8.3416 116.1402 58.7852 29.6616 178.3343 22 N 4.7660 8.9595 114.2493 51.6144 40.5553 175.5060 23 G 4.2432 8.0312 109.0179 45.5411 0.0000 173.7507 24 Y 4.1439 9.4555 124.3306 60.9222 38.9050 178.5443 25 H 3.9303 8.1345 114.9663 58.2258 28.9105 175.9849 26 Q 4.4317 7.7072 115.9248 55.8167 29.2407 177.0101 27 S 4.5049 7.3490 117.5815 57.1566 61.6564 173.5558 28 Q 4.3415 7.4746 124.0796 55.1384 30.6019 176.4793 29 V 3.4680 8.5916 122.0159 66.4023 31.2577 178.3572 30 S 4.5172 7.9824 114.3763 61.0312 62.5972 176.5626 31 K 3.9715 8.0244 122.0677 59.0275 31.7726 179.5077 32 I 3.6233 7.6289 119.4262 64.1383 37.1280 177.9369 33 A 4.0060 8.5554 124.4343 55.7710 17.9717 180.3288 34 K 3.8768 7.8312 120.5324 60.1351 31.8818 180.2867 35 Q 4.2636 8.0737 119.7229 58.9370 29.0445 177.9475 36 A 4.2973 8.4234 119.4598 52.2804 18.8006 178.1341 37 G 3.8015 7.9814 105.1585 45.7193 0.0000 173.4720 38 V 4.3679 7.4819 111.2624 58.9208 34.7733 174.8401 39 A 4.5446 8.0687 122.9739 51.2388 20.1249 177.9663 40 D 4.4856 9.0061 120.2372 57.9197 40.8660 180.0276 41 G 3.8427 8.2676 105.0845 48.1617 0.0000 175.4686 42 T 4.1383 7.9984 117.0697 65.9969 68.6591 176.8721 43 I 4.0376 7.6161 122.2584 64.7641 36.9218 178.0698 44 Y 5.0861 7.7064 118.1168 60.3476 37.4898 178.0054 45 L 3.9411 7.6882 120.3442 57.4302 42.1035 177.0077 46 Y 4.4988 7.2821 114.6132 57.7392 40.0245 175.6685 47 F 5.2872 8.2919 117.4669 55.3116 42.7178 176.2517 48 K 4.1359 9.8408 123.7921 59.2296 32.3965 176.7690 49 N 4.6166 7.8011 113.4145 51.2230 39.8286 174.5425 50 K 3.8031 8.5842 118.0559 59.9600 31.9664 177.8210 51 E 4.2636 8.3855 120.2116 58.9155 29.3660 178.1499 52 D 4.4524 9.0493 118.1168 57.4767 41.1887 178.3795 53 I 3.0117 7.6656 119.9954 63.8554 37.0251 178.0745 54 L 3.8455 7.9915 121.0918 58.3158 41.8918 179.0273 55 I 3.8079 7.8825 119.6963 64.7156 36.9773 178.7348 56 S 4.3087 8.5150 116.1875 61.2870 62.6730 176.5233 57 L 3.9368 8.3584 123.6911 58.0119 41.6395 178.7734 58 F 4.5109 8.0340 119.3774 61.3967 39.4495 176.6060 59 K 3.8568 8.2223 118.2825 59.3099 32.2722 178.1297 60 E 4.1907 8.5741 119.8097 59.1815 29.6703 179.8210 61 K 4.1474 8.0945 116.5555 56.8276 32.0311 179.2435 *63 G 3.8826 8.0471 110.1618 45.8629 0.0000 175.9713 64 Q 4.1202 8.1060 119.4688 58.6439 28.4667 178.5077 65 F 4.1163 8.0496 120.1765 61.7036 39.4312 177.0235 66 I 3.7460 7.7077 117.6740 64.0123 37.2631 177.7901 67 E 4.1369 8.2552 118.7396 59.2659 29.3875 180.2437 68 R 3.9654 7.8201 116.8565 56.3527 29.5436 178.4161 *70 E 4.1888 8.1645 120.4672 56.5020 31.5979 177.8405 71 E 3.7671 8.2175 117.8555 59.6501 29.8206 178.4587 72 D 4.4935 8.2581 119.1286 56.9765 40.7298 178.4241 73 I 4.0320 7.6471 112.5458 62.6520 37.7344 177.9284 74 K 4.0155 7.4023 120.0815 59.6544 32.4384 178.6962 75 E 4.0521 7.5616 118.2233 58.3480 29.8472 177.9964 76 K 4.0352 7.1510 116.9459 56.5937 32.7129 176.7996 77 A 4.1902 8.7003 126.5676 54.8241 19.3929 178.6861 78 T 4.4127 8.4087 106.2800 60.4590 71.6852 175.6461 79 A 3.9441 9.4651 124.2895 55.2110 18.2703 180.1220 80 K 3.8524 8.2564 117.6230 59.6660 32.4523 178.6947 81 E 3.9481 8.2778 118.8290 59.3619 29.3445 179.5042 82 K 3.9788 8.2383 118.5690 59.5492 32.1071 179.4719 83 L 3.9713 8.2418 119.1922 57.5531 41.4735 179.2688 84 A 3.9752 8.3019 121.2448 55.0236 18.2599 179.5214 85 L 3.8571 7.7880 118.2348 58.1900 42.1465 179.1461 86 V 3.6684 7.8828 118.2474 66.1980 31.4145 177.9264 87 I 3.3764 8.0537 119.9006 64.4197 36.8758 178.6869 88 S 4.2336 7.9568 116.2737 60.8734 62.7862 176.6455 89 K 4.0844 8.6872 122.5996 59.2501 31.6547 178.8250 90 H 4.1033 8.7494 118.8810 59.4267 29.8874 177.3401 91 F 4.2515 8.4648 119.6387 60.7004 38.7389 177.8773 92 S 4.1165 8.4940 114.9653 61.4216 62.4384 176.2517 93 L 3.9575 7.7554 121.6262 58.5340 42.1351 178.8932 94 L 4.1917 7.7548 118.4635 57.6609 41.3641 179.3371 95 A 4.4359 8.3341 120.3623 54.5862 18.3697 179.1500 96 G 4.0728 7.9355 102.4684 45.4576 0.0000 173.9409 97 D 4.5262 8.1112 121.0998 52.1207 42.7052 174.5736 98 H 4.8088 9.0047 127.0729 58.7121 29.7481 176.2300 99 N 4.3465 8.1970 117.4012 56.0723 38.4198 176.9451 100 L 3.8855 8.3805 121.5951 58.2248 42.0967 178.8919 101 A 4.1619 8.0299 121.8797 54.7033 18.2689 179.7349 102 I 3.5639 7.5786 117.8982 64.2209 37.0430 178.8307 103 V 3.5147 7.9040 119.6125 66.2321 31.1746 178.2927 104 T 3.6967 8.2099 109.9783 64.6991 68.4589 176.2054 105 Q 4.2731 8.1478 119.3456 56.7231 29.3965 175.6116 106 L 4.5886 7.8751 117.1236 56.3539 44.2745 178.7856 107 E 3.9827 7.9344 117.3321 59.2469 29.6380 178.8223 108 L 4.0051 7.9275 116.9554 55.9506 42.2087 177.1723 109 R 4.3357 7.2795 119.1985 55.6360 29.6484 177.1597 110 Q 4.1562 7.6264 116.8129 56.0860 29.6727 177.2205 111 S 4.4910 8.4703 115.6241 58.8478 64.5656 174.2385 112 N 4.3666 8.0794 120.5620 54.0882 39.4188 175.3208 113 L 4.1265 8.6183 125.1448 57.3543 41.4049 179.1597 114 E 3.9665 8.2726 117.2998 59.6201 29.3956 178.9804 115 L 3.9749 7.6912 120.8920 57.5682 42.0907 178.8640 116 R 3.9309 7.9710 118.3661 59.4643 29.9405 178.5170 117 Q 4.0245 8.2620 118.0309 58.7356 28.4386 178.8611 118 K 3.9997 7.4677 117.8262 59.4876 32.4288 179.1529 119 I 4.0624 7.8283 119.9955 64.7051 37.2115 178.3826 120 N 4.4824 8.6108 117.4741 56.1372 38.1143 177.0702 121 E 4.0121 8.3003 120.8885 59.1326 29.1890 178.8300 122 I 3.6763 8.0079 119.9378 63.7326 37.0832 177.9706 123 L 3.7848 7.8671 121.2396 57.6737 41.7619 178.6934 124 K 3.9211 7.8338 118.9900 59.6199 31.8404 179.0757 125 G 3.6510 7.6380 105.2935 47.9631 0.0000 175.1463 126 Y 4.3303 7.9648 121.6118 60.5562 38.9813 177.5579 127 L 3.7948 7.9377 119.8808 57.9612 41.6732 179.2511 128 N 4.2850 8.4968 116.6047 56.4122 38.4017 177.4374 129 I 3.7063 7.4636 121.1021 64.4330 37.2233 178.4595 130 L 3.9242 7.6373 119.2588 57.8675 41.2906 179.4224 131 D 4.4426 8.3123 119.1827 57.1357 40.7113 179.0472 132 G 3.5773 8.1159 106.2920 48.6123 0.0000 175.6387 133 I 3.6952 7.8867 122.6658 64.1211 37.1411 178.5283 134 L 3.9778 7.9236 119.7644 58.1275 41.2326 179.7982 135 T 4.0814 8.2476 110.0279 64.6080 68.6775 176.5599 136 E 4.1065 8.4846 121.8033 59.2087 29.5228 179.3921 137 G 3.6451 8.2075 105.7694 47.8138 0.0000 175.6977 138 I 3.7169 8.2263 122.5459 64.4168 36.9605 178.6058 139 Q 4.0610 7.9716 117.5931 58.5713 28.6204 178.1937 140 S 4.4898 7.9752 112.7639 58.2096 63.5406 175.0524 141 G 3.8719 7.7573 110.6855 46.1715 0.0000 174.1800 142 E 4.1870 8.1947 120.6398 56.8032 30.0596 176.3288 143 I 4.4404 7.3098 118.6162 58.8321 39.3858 175.1998 144 K 3.8070 8.5426 124.7555 56.5862 32.4452 175.7062 145 E 4.0442 8.5641 126.8162 57.6795 30.0506 177.0095 146 G 3.9511 8.8239 113.3854 45.0510 0.0000 173.3661 147 L 3.9756 7.3250 122.0297 54.7886 42.7850 176.0928 148 D 4.6236 8.5482 125.1493 53.1227 42.2663 176.5593 149 V 3.5219 8.4194 126.8265 66.3706 31.6249 177.6979 150 R 3.9177 8.0165 116.8969 59.5129 29.7553 178.9253 151 L 3.9955 8.0949 116.7423 57.7203 41.7015 179.0958 152 A 4.1271 8.2930 119.9334 55.1257 18.5285 179.1262 153 R 4.0429 8.3897 117.6224 59.6754 30.0016 179.4702 154 Q 4.4221 8.0591 115.7920 56.2759 28.6304 178.4902 *156 I 4.0549 7.7059 121.6930 61.5053 39.2524 178.0552 157 F 4.2400 8.5626 122.1843 61.1685 39.0389 177.4554 158 G 3.5403 8.6501 105.9592 47.8116 0.0000 176.0098 159 T 3.8715 7.7554 117.5236 66.4476 68.6027 176.5957 160 I 3.7169 7.6538 121.6624 64.6234 37.1090 178.0873 161 D 4.1997 7.9953 119.0901 57.1512 40.8654 177.7890 162 E 4.0180 8.4959 120.2307 59.1807 29.6372 178.7547 163 T 3.8873 8.1072 116.1614 66.4702 68.4888 176.7555 164 V 3.4651 7.8518 120.0767 66.3667 31.4218 178.1381 165 T 3.9479 8.0525 114.5049 67.0268 68.3345 176.3801 166 T 4.0706 8.0193 116.7678 66.4419 68.7279 176.2219 167 W 4.1173 8.2257 131.6028 59.4852 30.7693 179.0258 168 V 3.3944 8.3088 119.3603 62.3691 31.0004 176.3368 *170 N 4.3580 8.0677 111.4789 52.5275 39.9266 174.7801 171 D 4.1394 8.2825 114.9299 55.1419 39.1182 173.7654 172 Q 2.0000 7.1444 115.4312 56.1270 26.5817 175.7826 173 K 4.1634 7.4467 116.6054 57.8071 33.2661 175.8816 174 Y 4.9162 7.1012 117.4699 54.8964 40.5503 174.8705 175 D 4.8003 8.5591 120.5981 52.8937 39.7047 175.0166 176 L 3.6980 8.0906 126.2449 57.6242 42.4651 179.2955 177 V 3.6649 7.7700 116.8367 66.1644 31.0615 177.4692 178 A 4.1751 7.9095 118.6105 54.1912 18.5023 178.5463 179 L 4.3436 8.1172 116.7591 55.2878 41.8544 178.5954 180 S 4.0488 8.1013 116.6451 62.1514 62.8152 176.2885 181 N 4.3038 8.1435 118.6054 56.8650 38.7768 176.9658 182 S 4.1512 8.0471 116.1131 61.0862 62.9493 176.7302 183 V 3.5573 7.8620 121.3514 65.7596 31.3053 177.4482 184 L 3.8575 8.0141 120.4139 58.6471 41.8498 178.9680 185 E 3.9719 8.3836 118.1534 59.2990 29.2313 179.4366 186 L 4.0046 7.9855 119.1613 57.8445 41.4707 179.5812 187 L 3.9912 7.7087 117.9143 57.6086 41.6019 179.4486 188 V 3.7737 7.8933 117.6188 65.3080 31.6703 177.3329 189 S 4.7162 8.0151 110.9030 58.0514 64.7653 175.5304 190 G 3.9201 8.4351 111.3866 44.8495 0.0000 173.0673 191 I 4.1662 8.1785 110.6963 61.1428 38.4628 175.7708 192 H 4.2956 8.0613 117.0010 55.5617 28.8940 174.5735 193 N 4.4018 8.2908 119.7513 54.4380 39.7049 175.0836 194 K 4.1686 8.0839 122.5130 56.8061 32.9698 176.1616 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 6 P 0.00 4.43 0.00 2.07 2.06 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 1.94 2.12 0.00 7 K 8.69 3.82 0.00 1.92 1.89 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.54 7.81 8 Y 8.29 3.48 0.00 2.38 2.64 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 *10 Q 8.13 4.26 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 11 I 7.77 3.66 2.05 0.00 0.00 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 1.54 0.59 0.75 0.00 0.00 12 I 7.70 3.53 1.79 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.87 0.00 0.00 13 D 7.98 4.34 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 14 A 8.10 3.96 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 15 A 8.38 3.82 1.23 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 0.00 0.00 16 V 7.77 3.47 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 0.97 0.00 0.00 0.96 0.00 0.00 17 E 7.85 3.87 0.00 2.00 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 2.40 2.30 0.00 18 V 7.93 3.54 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 0.94 0.00 0.00 0.96 0.00 0.00 19 I 8.36 4.28 1.96 0.00 0.00 nan 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 0.09 0.94 0.00 0.00 20 A 7.84 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.34 4.06 0.00 2.00 2.00 0.00 0.00 0.00 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 2.39 0.00 22 N 8.96 4.77 0.00 2.73 2.81 0.00 0.00 7.25 8.09 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 23 G 8.03 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 0.00 0.00 0.00 0.00 24 Y 9.46 4.14 0.00 2.87 2.87 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 25 H 8.13 3.93 0.00 3.19 3.29 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.71 4.43 0.00 2.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 27 S 7.35 4.50 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.47 4.34 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 29 V 8.59 3.47 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 0.43 0.00 0.00 0.86 0.00 0.00 30 S 7.98 4.52 0.00 4.09 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 31 K 8.02 3.97 0.00 1.91 1.86 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 32 I 7.63 3.62 1.90 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 1.50 0.60 0.80 0.00 0.00 33 A 8.56 4.01 1.34 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 0.00 0.00 0.00 34 K 7.83 3.88 0.00 1.88 1.75 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 35 Q 8.07 4.26 0.00 1.97 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 36 A 8.42 4.30 1.26 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 37 G 7.98 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 38 V 7.48 4.37 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 0.80 0.00 0.00 1.01 0.00 0.00 39 A 8.07 4.54 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 40 D 9.01 4.49 0.00 2.82 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 41 G 8.27 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 42 T 8.00 4.14 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 43 I 7.62 4.04 1.59 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 0.78 0.77 0.00 0.00 44 Y 7.71 5.09 0.00 3.09 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 45 L 7.69 3.94 0.00 1.72 1.62 -0.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.28 4.50 0.00 2.76 2.39 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 47 F 8.29 5.29 0.00 3.08 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 48 K 9.84 4.14 0.00 1.86 1.98 0.00 1.83 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.30 3.98 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 85 L 7.79 3.86 0.00 1.91 1.77 0.92 0.74 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 86 V 7.88 3.67 2.27 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 1.34 0.00 0.00 1.05 0.00 0.00 87 I 8.05 3.38 1.63 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 1.37 0.47 0.05 0.00 0.00 88 S 7.96 4.23 0.00 4.07 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 89 K 8.69 4.08 0.00 1.90 2.03 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.58 7.81 90 H 8.75 4.10 0.00 3.56 3.49 0.00 5.61 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 91 F 8.46 4.25 0.00 3.23 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 92 S 8.49 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0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.28 4.34 0.00 1.87 1.90 0.00 3.32 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 110 Q 7.63 4.16 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 111 S 8.47 4.49 0.00 3.98 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 0.00 112 N 8.08 4.37 0.00 2.79 2.78 0.00 0.00 7.25 6.66 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 0.00 113 L 8.62 4.13 0.00 1.75 1.70 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.27 3.97 0.00 2.26 2.24 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 2.40 2.65 0.00 115 L 7.69 3.97 0.00 1.93 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.97 3.93 0.00 2.26 1.95 0.00 3.33 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.33 0.00 3.05 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 0.00 127 L 7.94 3.79 0.00 1.77 1.61 0.76 -0.01 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 0.00 128 N 8.50 4.29 0.00 2.97 2.86 0.00 0.00 7.01 7.35 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 0.00 129 I 7.46 3.71 2.10 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 1.66 0.76 0.92 0.00 0.00 130 L 7.64 3.92 0.00 1.74 1.64 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.31 4.44 0.00 2.92 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 0.00 132 G 8.12 3.58 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 0.00 0.00 0.00 133 I 7.89 3.70 1.99 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 1.51 0.74 0.89 0.00 0.00 134 L 7.92 3.98 0.00 1.88 1.70 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.25 4.08 4.23 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 1.20 0.00 0.00 136 E 8.48 4.11 0.00 2.26 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 0.00 2.32 2.40 0.00 137 G 8.21 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 0.00 138 I 8.23 3.72 2.03 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 1.52 0.64 0.91 0.00 0.00 139 Q 7.97 4.06 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 140 S 7.98 4.49 0.00 4.03 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 0.00 141 G 7.76 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 0.00 0.00 0.00 142 E 8.19 4.19 0.00 1.94 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 2.27 0.00 143 I 7.31 4.44 1.86 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 1.33 1.16 0.90 0.00 0.00 144 K 8.54 3.81 0.00 1.82 1.70 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.50 7.81 145 E 8.56 4.04 0.00 1.96 1.83 0.00 0.00 0.00 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 2.31 0.00 146 G 8.82 3.95 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 0.00 0.00 0.00 147 L 7.33 3.98 0.00 1.63 1.69 0.92 1.64 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 0.00 148 D 8.55 4.62 0.00 2.75 2.53 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 0.00 149 V 8.42 3.52 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 1.04 0.00 0.00 0.92 0.00 0.00 150 R 8.02 3.92 0.00 2.04 1.98 0.00 3.18 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 151 L 8.09 4.00 0.00 1.78 1.74 0.93 0.64 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 0.00 152 A 8.29 4.13 1.34 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 0.00 0.00 0.00 153 R 8.39 4.04 0.00 1.98 2.20 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 154 Q 8.06 4.42 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.17 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 *156 I 7.71 4.05 1.88 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 1.29 1.07 0.90 0.00 0.00 157 F 8.56 4.24 0.00 3.12 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 0.00 158 G 8.65 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.76 3.87 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 1.22 0.00 0.00 160 I 7.65 3.72 1.84 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 1.21 0.77 0.65 0.00 0.00 161 D 8.00 4.20 0.00 1.87 2.39 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 0.00 162 E 8.50 4.02 0.00 2.14 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 2.31 2.41 0.00 163 T 8.11 3.89 4.56 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 1.19 0.00 0.00 164 V 7.85 3.47 2.28 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 1.21 0.00 0.00 0.96 0.00 0.00 165 T 8.05 3.95 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 1.22 0.00 0.00 166 T 8.02 4.07 4.48 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 1.34 0.00 0.00 167 W 8.23 4.12 0.00 3.12 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 0.00 168 V 8.31 3.39 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 0.81 0.00 0.00 0.87 0.00 0.00 *170 N 8.07 4.36 0.00 2.87 2.94 0.00 0.00 7.00 8.08 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 0.00 171 D 8.28 4.14 0.00 2.71 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 0.00 172 Q 7.14 2.00 0.00 1.67 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 173 K 7.45 4.16 0.00 1.91 1.86 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.53 7.81 174 Y 7.10 4.92 0.00 3.19 3.16 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 0.00 175 D 8.56 4.80 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.09 3.70 0.00 0.27 0.61 -0.26 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 177 V 7.77 3.66 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 0.90 0.00 0.00 178 A 7.91 4.18 1.46 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 0.00 179 L 8.12 4.34 0.00 1.90 1.80 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.10 4.05 0.00 3.93 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 0.00 181 N 8.14 4.30 0.00 2.84 2.82 0.00 0.00 7.08 7.63 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 0.00 182 S 8.05 4.15 0.00 3.93 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 0.00 183 V 7.86 3.56 2.24 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 0.99 0.00 0.00 1.19 0.00 0.00 184 L 8.01 3.86 0.00 1.73 1.86 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.38 3.97 0.00 2.01 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 2.49 2.49 0.00 186 L 7.99 4.00 0.00 1.90 1.72 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 187 L 7.71 3.99 0.00 1.77 1.72 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.89 3.77 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 0.83 0.00 0.00 0.98 0.00 0.00 189 S 8.02 4.72 0.00 3.85 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 0.00 190 G 8.44 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 0.00 191 I 8.18 4.17 1.88 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 1.49 0.71 0.92 0.00 0.00 192 H 8.06 4.30 0.00 3.29 3.35 0.00 5.52 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 0.00 193 N 8.29 4.40 0.00 2.69 2.75 0.00 0.00 7.34 6.68 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 0.00 194 K 8.08 4.17 0.00 1.83 2.13 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.