NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4634 8.1933 115.4131 57.6073 64.6551 174.4722 3 K 3.7519 8.4428 120.4348 59.2744 31.6692 178.1882 4 L 3.9810 8.6561 120.1022 57.7022 41.9869 179.1099 5 Q 3.9866 7.8323 117.8467 59.1210 28.6901 178.7518 6 Q 4.0561 8.5072 119.4168 59.0942 28.7544 179.0149 7 I 3.7965 8.0230 120.8455 64.4329 37.2315 178.2627 8 L 4.0372 8.1188 119.8758 58.3461 41.4328 179.8453 9 T 3.9152 8.0632 115.4939 66.6129 68.3685 176.1268 10 Y 4.1024 8.2519 121.4788 60.8314 38.8493 178.1042 11 L 3.8595 8.5668 120.2130 57.6899 41.7004 179.2875 12 E 3.8680 8.1244 119.2745 59.2864 29.4352 178.9859 13 S 4.1140 7.9844 113.0810 60.8711 62.9985 175.2999 14 E 4.2046 7.5997 118.9264 54.5080 29.9096 175.7691 15 K 3.7647 7.5136 117.3127 57.3669 30.2056 175.2787 16 L 4.5618 7.6679 117.0844 53.6481 43.0590 177.0773 17 D 4.7530 8.9817 122.3064 56.5959 42.3636 176.6940 18 V 4.7128 7.4671 114.9916 60.6595 34.7116 172.0974 19 A 5.1882 9.0677 124.6326 50.2433 21.3113 175.4727 20 V 4.5449 9.0546 123.1658 61.2245 33.7123 174.4875 21 V 4.8350 8.7930 129.6579 61.6225 32.4369 176.3011 22 S 4.5318 9.5087 121.9966 58.2228 65.1176 174.2525 23 D 4.6652 8.3076 121.4865 52.9850 42.0960 174.6768 24 P 4.3623 0.0000 0.0000 65.7358 31.2760 178.8457 25 V 3.7343 8.3928 117.1561 66.3643 31.4619 178.3138 26 T 4.0197 7.9293 115.0361 66.7342 68.2696 176.6376 27 I 3.8410 8.4057 122.2350 64.3643 37.0948 178.0177 28 N 4.6675 8.6147 119.5162 56.2797 38.6105 175.9904 29 Y 4.2299 8.1192 120.0750 61.1370 38.9466 178.1863 30 L 4.0355 8.1118 117.9264 56.7470 41.8830 177.8800 31 T 4.5718 7.6799 105.6103 60.0706 70.2836 175.2394 32 G 3.8933 8.7529 109.7966 45.1802 0.0000 172.7499 33 F 4.6581 8.3644 123.1834 56.6520 39.8376 173.5821 34 Y 4.4231 7.8955 129.2296 55.5405 40.3910 174.6058 35 S 3.8138 6.8675 120.0158 56.3996 65.5087 172.6895 36 D 4.3386 7.9826 126.9367 52.1897 40.6045 174.1877 37 P 4.4683 0.0000 0.0000 62.8695 33.3421 178.2726 38 H 3.9115 8.0193 117.8883 57.3679 28.2009 177.2829 39 E 4.2515 9.2318 127.9550 58.5203 30.0663 176.9432 40 R 4.3289 7.8436 118.8992 55.7736 30.8521 176.0011 41 Q 4.1419 8.7523 120.0489 55.1730 30.1974 175.4226 *43 F 4.5938 8.1015 116.1021 57.5440 40.8401 174.0484 44 L 5.0559 8.7322 124.5300 53.6634 44.0281 174.8892 45 F 5.1482 9.4541 125.7993 55.8572 41.4254 174.7297 46 V 4.4317 9.0795 125.2790 61.4953 32.6726 174.6904 47 L 5.0825 8.4293 127.3915 53.0432 43.5538 176.7849 48 A 4.1326 8.3075 122.2788 54.1093 18.8985 178.5010 49 D 4.8706 8.0217 112.1470 53.6637 42.3250 174.7618 50 Q 4.5186 7.7022 116.9020 54.5452 31.5304 173.7011 51 E 4.1677 8.4760 115.6402 55.5639 30.2473 174.3058 52 P 4.6318 0.0000 0.0000 62.1831 32.8181 175.5837 53 L 5.0903 8.9203 122.3083 53.5207 45.1711 174.7771 54 L 5.1120 9.3973 129.6044 54.2002 43.4684 174.7257 55 F 5.4551 9.7003 129.8838 56.7930 41.0285 174.9483 56 V 4.6208 8.0725 118.3242 58.6620 36.6552 173.4319 57 P 4.2911 0.0000 0.0000 62.0641 32.0910 177.5689 58 A 3.8639 8.3476 123.8050 55.6642 17.9323 180.4286 59 L 4.0048 7.7262 115.3055 56.9955 41.9561 178.2698 60 E 4.4495 8.4714 117.6873 56.5762 29.8846 178.0065 61 V 3.4275 7.5055 119.5390 65.8553 31.5271 177.3623 62 E 3.8249 7.9662 118.4191 59.3199 29.5534 178.4955 63 R 3.8850 7.9705 117.9273 59.2856 30.2246 178.0695 64 A 3.0181 8.0355 120.7721 55.1346 18.0699 179.6686 65 S 3.9426 7.8867 112.6763 61.3539 62.9787 176.3005 66 S 4.4640 7.6900 113.6855 59.2452 63.3179 175.3350 67 T 4.3420 7.2726 119.3467 63.7704 69.2611 174.7258 68 V 4.3516 6.9735 111.9614 59.4185 34.7170 175.5144 69 S 4.4254 8.2050 114.2029 58.2555 63.6942 173.8522 70 F 4.8826 6.6121 116.3690 54.6393 40.2987 173.5718 71 P 4.4688 0.0000 0.0000 62.9540 32.3145 175.8043 72 V 4.8869 8.3396 122.6779 61.0922 33.9540 174.6053 73 V 4.4791 8.8660 127.4765 61.0584 34.2827 174.5098 74 G 4.9556 8.6306 113.5330 44.3941 0.0000 171.6559 75 Y 5.1757 7.8687 116.9971 55.3314 41.8891 174.8947 76 V 4.1999 8.9362 115.0564 59.6804 34.0099 176.9321 77 D 4.2794 8.5276 121.3850 57.4846 40.6563 178.1634 78 S 4.4145 7.9369 111.0482 59.1534 63.6760 173.9052 79 E 4.3746 8.0915 121.7373 55.5708 30.5012 176.1082 80 N 4.5716 8.6079 120.9474 52.5492 39.9399 174.3314 81 P 3.9056 0.0000 0.0000 65.3223 31.3375 178.5097 82 W 4.1949 7.1946 118.3192 59.7369 28.9985 178.2880 83 Q 3.8551 8.5138 118.0031 58.7375 28.0657 178.6941 84 K 3.9972 7.9931 120.6769 59.4190 32.2363 178.8965 85 I 3.2256 7.6998 120.4644 64.1306 36.7336 178.2198 86 K 3.6005 7.5081 118.9190 59.8651 31.9912 178.1919 87 H 4.4595 7.9003 115.2934 58.6078 28.7328 177.3435 88 A 4.2001 8.0440 122.0702 53.6577 18.4304 177.8891 89 L 4.2810 6.9892 116.9453 53.0753 42.6304 174.9528 90 P 4.4775 0.0000 0.0000 63.2543 32.3057 176.7149 91 Q 4.3890 8.2305 119.0652 55.0196 27.6436 175.1276 92 L 4.0733 7.0833 118.2895 53.6012 43.3983 177.3449 93 D 4.4085 7.8628 119.7428 52.9726 39.7458 175.4878 94 F 4.3228 8.4074 124.7024 57.1359 38.2592 175.3569 95 K 4.3413 9.1108 126.8602 57.8031 33.8771 177.5112 96 R 4.8860 7.9821 118.3894 54.3552 34.2001 174.6226 97 V 4.6604 8.4139 123.0087 60.8083 35.2738 173.8165 98 A 5.3714 8.6130 127.9219 50.4611 21.8742 175.9109 99 V 5.1140 9.0016 113.5748 58.4469 37.2128 175.2940 100 E 4.6841 8.8867 121.4114 55.5325 28.5026 177.7199 101 F 4.3461 9.1494 124.0586 60.5226 39.1137 176.6365 102 D 4.6753 7.8839 118.1855 55.0987 41.0618 176.3198 103 N 4.7691 7.9957 116.1305 54.1282 41.1688 174.0884 104 L 4.1968 8.1225 120.9534 54.5434 42.3504 177.0771 105 I 4.1763 8.2121 120.3551 60.2404 40.2007 176.6718 106 L 3.9411 8.3286 120.6562 58.0372 41.4431 179.8491 107 T 3.9689 7.9022 109.4500 64.7896 68.6368 176.6264 108 K 4.3168 8.1112 120.8821 59.1952 32.2475 178.5236 109 Y 4.0310 8.1877 119.9556 61.1539 38.5178 177.8565 110 H 3.8728 8.0741 116.1302 58.7554 29.0152 177.7759 111 G 2.0000 7.2601 107.3265 46.7079 0.0000 175.8734 112 L 3.9115 7.6471 121.5033 57.3318 41.4371 179.4621 113 K 4.1243 7.7439 118.0000 58.9341 31.6013 179.1703 114 T 3.8812 7.1526 115.7771 65.9311 68.5224 176.7907 115 V 3.5794 7.2379 119.1460 64.0194 32.4513 175.9272 116 F 4.9405 7.9305 118.5506 55.2358 38.6670 175.4573 117 E 4.3873 8.7391 122.9257 58.0226 29.8610 178.0755 118 T 4.6105 7.8307 106.0574 60.8792 69.4844 173.6776 119 A 4.4002 7.7607 122.8574 52.4046 19.2034 177.6082 120 E 4.7417 9.0208 118.5294 55.1788 32.3610 174.9742 121 F 5.3162 9.0205 119.9514 56.2216 41.0450 174.8952 122 D 5.0060 9.3291 124.2096 52.6286 43.7874 175.2654 123 N 4.2384 8.0051 118.9333 52.6746 39.3119 175.1778 124 L 4.3437 8.7754 127.3422 56.7779 42.3718 178.4806 125 T 3.8554 8.2295 116.3590 66.5075 68.3268 174.5703 126 P 4.4428 0.0000 0.0000 64.7949 31.1272 178.6496 127 R 3.6421 7.6873 116.5687 59.3802 30.0146 178.2109 128 I 3.8493 7.1809 118.7589 64.3764 36.9496 178.0318 129 Q 4.0845 8.2852 119.2757 58.6758 28.4788 179.6041 130 R 3.8509 8.0128 118.6162 56.6159 28.5646 178.0956 *132 R 4.3421 8.0374 116.3790 55.2700 32.0174 177.6500 133 L 4.0677 7.8375 117.3491 56.4481 41.7243 176.8454 134 I 4.2699 6.8557 118.0459 58.8348 37.5613 175.5153 135 K 4.0442 8.7525 125.6158 56.8460 31.8639 176.3338 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 4.46 0.00 4.02 4.08 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 3 K 8.44 3.75 0.00 1.75 1.76 0.00 1.30 0.00 0.00 0.91 0.00 0.00 2.38 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.45 7.81 4 L 8.66 3.98 0.00 1.67 1.65 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 7.83 3.99 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 6 Q 8.51 4.06 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 7 I 8.02 3.80 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.55 0.99 0.00 0.00 8 L 8.12 4.04 0.00 1.91 1.74 0.92 0.89 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 9 T 8.06 3.92 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 1.25 0.00 0.00 10 Y 8.25 4.10 0.00 3.13 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 11 L 8.57 3.86 0.00 1.83 1.85 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.12 3.87 0.00 2.05 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 2.27 2.28 0.00 13 S 7.98 4.11 0.00 4.01 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 14 E 7.60 4.20 0.00 1.47 1.71 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 1.65 1.47 0.00 15 K 7.51 3.76 0.00 1.85 1.82 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 16 L 7.67 4.56 0.00 1.54 1.52 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.98 4.75 0.00 2.74 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 18 V 7.47 4.71 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 0.24 0.00 0.00 1.15 0.00 0.00 19 A 9.07 5.19 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 20 V 9.05 4.54 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 0.72 0.00 0.00 1.12 0.00 0.00 21 V 8.79 4.84 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 1.16 0.00 0.00 0.99 0.00 0.00 22 S 9.51 4.53 0.00 4.07 4.33 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 23 D 8.31 4.67 0.00 2.79 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 24 P 0.00 4.36 0.00 2.24 2.08 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 25 V 8.39 3.73 2.29 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 1.12 0.00 0.00 1.00 0.00 0.00 26 T 7.93 4.02 4.43 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 1.33 0.00 0.00 27 I 8.41 3.84 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 1.12 0.00 0.00 28 N 8.61 4.67 0.00 3.15 3.13 0.00 0.00 6.41 8.35 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 29 Y 8.12 4.23 0.00 2.98 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 30 L 8.11 4.04 0.00 1.74 1.72 1.00 0.72 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 31 T 7.68 4.57 4.45 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 1.55 0.00 0.00 32 G 8.75 3.89 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 0.00 0.00 0.00 33 F 8.36 4.66 0.00 3.12 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 Y 7.90 4.42 0.00 2.98 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 35 S 6.87 3.81 0.00 3.33 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 36 D 7.98 4.34 0.00 2.55 2.40 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 37 P 0.00 4.47 0.00 2.43 2.21 0.00 3.75 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 1.99 1.88 0.00 38 H 8.02 3.91 0.00 3.32 2.55 0.00 5.65 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 39 E 9.23 4.25 0.00 2.13 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 0.00 2.31 2.31 0.00 40 R 7.84 4.33 0.00 1.99 1.96 0.00 3.07 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 41 Q 8.75 4.14 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.44 0.00 0.00 0.00 0.00 0.00 2.15 1.59 0.00 *43 F 8.10 4.59 0.00 2.73 2.29 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 44 L 8.73 5.06 0.00 1.88 1.59 1.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.45 5.15 0.00 3.07 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 46 V 9.08 4.43 2.12 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 1.04 0.00 0.00 0.92 0.00 0.00 47 L 8.43 5.08 0.00 1.62 1.64 1.08 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 48 A 8.31 4.13 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 49 D 8.02 4.87 0.00 2.61 2.61 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 50 Q 7.70 4.52 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 51 E 8.48 4.17 0.00 2.18 2.06 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 2.33 2.41 0.00 52 P 0.00 4.63 0.00 0.49 1.62 0.00 3.25 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.72 0.00 53 L 8.92 5.09 0.00 1.88 1.75 1.12 0.66 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 54 L 9.40 5.11 0.00 2.26 1.67 1.15 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.70 5.46 0.00 3.37 3.46 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 56 V 8.07 4.62 2.02 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 0.74 0.00 0.00 0.81 0.00 0.00 57 P 0.00 4.29 0.00 2.02 1.68 0.00 3.59 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 2.06 2.09 0.00 58 A 8.35 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.73 4.00 0.00 1.55 1.71 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.47 4.45 0.00 2.05 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 0.00 2.26 2.49 0.00 61 V 7.51 3.43 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 1.00 0.00 0.00 0.81 0.00 0.00 62 E 7.97 3.82 0.00 2.04 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 2.36 2.33 0.00 63 R 7.97 3.88 0.00 1.98 2.06 0.00 3.32 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 64 A 8.04 3.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.89 3.94 0.00 3.93 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 66 S 7.69 4.46 0.00 4.02 3.93 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 67 T 7.27 4.34 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 1.39 0.00 0.00 68 V 6.97 4.35 0.97 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 0.57 0.00 0.00 0.02 0.00 0.00 69 S 8.20 4.43 0.00 3.96 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 70 F 6.61 4.88 0.00 3.23 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 71 P 0.00 4.47 0.00 2.25 2.10 0.00 4.07 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 72 V 8.34 4.89 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 0.64 0.00 0.00 0.70 0.00 0.00 73 V 8.87 4.48 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 1.15 0.00 0.00 1.04 0.00 0.00 74 G 8.63 4.96 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 0.00 0.00 0.00 75 Y 7.87 5.18 0.00 3.13 2.98 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 0.00 0.00 0.00 76 V 8.94 4.20 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 0.64 0.00 0.00 1.01 0.00 0.00 77 D 8.53 4.28 0.00 2.62 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 78 S 7.94 4.41 0.00 4.00 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 79 E 8.09 4.37 0.00 2.39 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 2.39 2.31 0.00 80 N 8.61 4.57 0.00 2.80 2.73 0.00 0.00 6.87 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 81 P 0.00 3.91 0.00 1.22 0.59 0.00 3.45 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 0.49 1.33 0.00 82 W 7.19 4.19 0.00 3.45 3.09 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 83 Q 8.51 3.86 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 84 K 7.99 4.00 0.00 2.07 2.01 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.89 1.71 7.81 85 I 7.70 3.23 1.57 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.19 0.00 0.00 86 K 7.51 3.60 0.00 1.60 1.73 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.29 7.81 87 H 7.90 4.46 0.00 3.18 3.33 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.04 4.20 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 89 L 6.99 4.28 0.00 1.54 1.66 0.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.48 0.00 2.19 2.09 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 2.20 2.22 0.00 91 Q 8.23 4.39 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 92 L 7.08 4.07 0.00 0.36 0.80 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.86 4.41 0.00 2.53 2.50 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 94 F 8.41 4.32 0.00 3.17 2.78 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 95 K 9.11 4.34 0.00 1.63 1.81 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.51 7.81 96 R 7.98 4.89 0.00 1.76 1.69 0.00 3.16 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 97 V 8.41 4.66 1.01 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 0.40 0.00 0.00 -0.05 0.00 0.00 98 A 8.61 5.37 1.30 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 0.00 0.00 0.00 99 V 9.00 5.11 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 1.26 0.00 0.00 1.41 0.00 0.00 100 E 8.89 4.68 0.00 2.14 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 2.44 2.42 0.00 101 F 9.15 4.35 0.00 2.90 3.09 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 0.00 102 D 7.88 4.68 0.00 2.65 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 0.00 103 N 8.00 4.77 0.00 2.68 2.85 0.00 0.00 6.99 7.78 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 0.00 104 L 8.12 4.20 0.00 1.87 1.62 1.25 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.21 4.18 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.62 0.94 0.00 0.00 106 L 8.33 3.94 0.00 1.68 1.65 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.90 3.97 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 1.27 0.00 0.00 108 K 8.11 4.32 0.00 2.18 2.43 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 2.12 1.71 7.81 109 Y 8.19 4.03 0.00 2.83 2.91 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 0.00 110 H 8.07 3.87 0.00 2.89 3.08 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.26 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.65 3.91 0.00 1.82 2.08 1.02 0.48 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 0.00 113 K 7.74 4.12 0.00 1.55 1.63 0.00 1.49 0.00 0.00 1.02 0.00 0.00 2.34 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.78 0.43 7.81 114 T 7.15 3.88 4.10 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 1.13 0.00 0.00 115 V 7.24 3.58 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 -0.39 0.00 0.00 0.83 0.00 0.00 116 F 7.93 4.94 0.00 3.11 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 0.00 117 E 8.74 4.39 0.00 1.98 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 2.28 2.35 0.00 118 T 7.83 4.61 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 1.24 0.00 0.00 119 A 7.76 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.02 4.74 0.00 2.12 2.12 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 2.21 2.31 0.00 121 F 9.02 5.32 0.00 3.01 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 0.00 122 D 9.33 5.01 0.00 2.63 2.55 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 0.00 0.00 0.00 123 N 8.01 4.24 0.00 1.44 2.04 0.00 0.00 6.89 7.78 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 0.00 124 L 8.78 4.34 0.00 1.80 1.70 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.23 3.86 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 1.31 0.00 0.00 126 P 0.00 4.44 0.00 2.09 2.05 0.00 3.85 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 2.01 1.93 0.00 127 R 7.69 3.64 0.00 1.18 1.60 0.00 2.99 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 128 I 7.18 3.85 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.93 0.85 0.00 0.00 129 Q 8.29 4.08 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 130 R 8.01 3.85 0.00 1.99 1.83 0.00 3.10 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 *132 R 8.04 4.34 0.00 1.93 1.83 0.00 2.92 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.34 0.00 133 L 7.84 4.07 0.00 1.74 1.72 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 I 6.86 4.27 1.90 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 1.19 0.59 0.93 0.00 0.00 135 K 8.75 4.04 0.00 1.73 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.