NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 D 4.4382 8.3644 120.3289 53.2363 41.9984 176.0133 *11 L 4.2069 7.6331 120.8613 53.5898 44.1314 177.3686 12 P 4.1757 0.0000 0.0000 65.4614 31.2541 178.5174 13 E 3.4011 7.7817 116.8330 59.2729 29.4373 179.2292 14 I 3.6686 7.5625 119.0561 64.3351 37.1967 178.0884 15 A 3.9258 8.2323 121.6845 55.1608 18.1945 179.6088 16 A 4.0050 8.0738 119.0070 55.0976 18.5819 179.7465 17 A 4.0250 8.0665 119.3313 55.4474 18.5038 180.1007 18 V 3.6907 8.2793 117.3795 65.9557 31.5768 178.3312 19 G 3.7414 8.6414 106.0398 47.7300 0.0000 175.2349 20 F 4.2849 8.3563 122.9820 61.2520 39.4484 177.2598 21 L 3.6691 7.8750 118.0008 57.8541 41.4383 179.7306 22 S 4.1012 8.6258 115.5608 61.6330 62.7625 176.7518 23 S 4.0698 8.0765 115.8794 61.1350 62.0869 176.2158 24 L 3.8019 7.4945 121.5757 57.7490 41.3321 179.5078 25 L 3.8333 7.6688 118.9086 57.5347 41.2111 179.6479 26 R 3.8191 7.7575 117.9912 59.6297 30.1288 178.4886 27 T 4.0741 7.8221 116.8295 67.1913 68.6270 177.3146 28 R 4.3122 7.9582 120.9616 59.3168 29.9812 178.4820 29 G 4.1057 7.7919 109.0452 45.3123 0.0000 174.5034 30 C 4.6422 8.1548 115.7838 55.0967 27.8055 168.3360 31 V 4.3560 7.5743 123.0723 59.8447 33.5927 176.3059 32 S 4.3161 8.4476 122.1581 58.6059 64.7534 175.1574 33 E 3.9698 8.6353 122.1612 59.2482 29.2177 179.4000 34 Q 3.9404 8.0081 119.5050 59.2658 29.1435 178.4519 35 R 3.9263 7.8572 118.5984 59.3188 30.0491 179.0370 36 L 4.1377 8.2589 121.3266 58.2748 41.5307 180.4897 37 K 4.0142 8.3896 123.9886 59.6887 31.6520 181.8026 38 V 3.7717 7.7796 119.8892 65.7514 31.3509 177.8916 39 F 4.0712 8.6109 120.6386 61.4348 39.2189 177.2527 40 S 4.0735 8.5401 115.1300 61.4440 62.6239 176.9357 41 G 3.5030 8.1578 108.1147 47.8699 0.0000 175.6650 42 A 3.9021 7.9972 123.8377 54.4934 18.2766 179.5319 43 L 3.6189 7.7637 119.1516 58.0514 42.0345 179.1308 44 Q 3.8613 8.1370 120.6457 59.5043 28.6592 179.3818 45 E 3.8312 8.1745 119.0065 61.0063 29.8054 180.8047 46 A 4.0832 8.0816 122.5407 55.0060 18.3585 179.8416 47 L 3.5198 7.8715 117.4955 57.6383 41.2956 179.9207 48 T 3.6866 7.4972 117.7697 67.1040 68.2688 176.8345 49 E 4.0672 8.0337 120.2041 61.4024 29.5151 180.4407 50 H 4.5294 7.9344 118.3501 59.0588 30.1945 176.2935 51 Y 4.8620 8.3162 117.1778 58.5062 37.8005 177.2925 52 K 3.7035 7.4094 120.3550 59.8471 32.1773 177.0127 53 H 4.7745 7.9524 111.5561 56.1683 29.1015 174.8997 54 H 4.8354 8.1459 116.4902 54.3583 29.3281 174.3303 55 W 4.7404 6.8483 127.8831 55.9492 33.1825 174.2709 56 F 4.7358 7.7075 124.3973 54.3609 39.2809 173.3564 57 P 3.9841 0.0000 0.0000 65.2597 31.4868 177.7747 58 E 4.2996 8.1421 115.5067 57.9008 30.2491 177.1443 59 K 4.6069 8.1173 118.5233 53.4794 32.6752 174.8729 60 P 4.1447 0.0000 0.0000 65.3321 32.1262 178.4516 61 S 4.1580 7.9597 113.7813 60.5582 63.0992 173.9292 62 K 4.1242 7.8130 122.4249 57.8101 32.0664 176.9111 63 G 4.1256 9.0582 114.7006 45.8329 0.0000 174.6073 64 S 4.3916 8.4345 115.2956 61.3524 62.1094 176.3453 65 G 3.7573 8.1271 107.1487 47.8576 0.0000 174.6196 66 Y 4.2188 8.0450 120.6064 60.6481 39.0521 177.2154 67 R 4.1307 8.1299 117.3164 58.2392 30.6199 176.6357 68 C 4.3416 7.7650 118.2132 59.9226 32.3395 172.9612 69 I 4.4718 8.9240 126.9058 59.7815 38.7500 174.8467 70 R 5.0626 8.5521 125.3191 54.3041 33.3931 175.0706 71 I 4.6561 8.8623 125.4795 59.5753 39.1873 173.7526 72 N 5.1502 9.2805 130.2057 52.2804 38.3278 174.2864 *73 H 4.3683 9.3208 115.1312 59.0177 28.8615 174.9580 74 K 4.6045 7.2532 120.2313 54.0436 32.2468 177.6828 *76 D 4.5985 8.4333 114.9198 55.2161 43.0316 175.0128 77 P 4.2633 0.0000 0.0000 66.0183 31.4370 178.8962 78 I 3.6599 7.6985 119.1552 64.1154 37.0318 178.1655 79 I 3.7399 8.2392 120.8699 64.4029 36.9041 178.6307 80 S 4.1193 8.1299 116.1349 61.6637 62.5064 177.0562 81 R 3.9407 7.7521 117.3518 59.2545 29.6254 178.7050 82 V 3.6723 7.9676 118.8121 65.5655 31.5233 177.7504 83 A 4.2253 8.5673 121.0420 55.5160 18.1093 179.7835 84 S 4.3168 8.0053 114.8934 61.3124 62.6547 176.8995 85 Q 4.0965 7.8756 119.5313 57.7173 28.3665 177.7254 86 I 4.4601 7.5031 112.0243 60.2655 38.1117 175.7762 87 G 3.8321 8.0759 107.1366 46.4547 0.0000 173.3811 88 L 4.7012 7.8516 120.1195 52.8074 43.2304 176.9207 89 S 4.6260 8.6611 118.9203 57.4660 65.6363 175.6113 90 Q 3.9124 8.4039 121.0412 58.6374 28.3781 176.9789 91 P 4.3070 0.0000 0.0000 65.8247 31.2713 178.5140 92 Q 3.9525 7.9744 116.3086 59.0759 28.5870 178.8361 93 L 3.8749 8.0345 119.9865 58.2757 41.3942 179.3947 94 H 4.1159 8.3499 115.5181 58.8412 28.6418 177.4644 95 Q 4.1704 7.6241 118.9302 58.4729 28.7851 177.9019 96 L 4.1522 7.9091 119.2011 55.6578 42.1385 177.3125 97 L 4.4575 7.2107 117.7349 52.2444 43.2093 174.7411 98 P 4.4190 0.0000 0.0000 62.9102 31.7847 177.1306 99 S 4.3209 8.7004 117.8551 60.9811 64.2257 174.6716 100 E 4.9776 7.8382 118.1052 55.2408 29.7950 179.6867 101 L 4.9490 7.7504 124.8180 54.7544 44.5252 176.2049 102 T 4.6657 8.7530 122.2265 61.4579 71.9696 172.5897 103 L 4.8821 8.7419 128.4936 53.0835 45.1355 174.8929 104 W 5.0154 9.1927 127.5807 55.4683 30.9763 175.7807 105 V 4.7293 8.7692 124.6440 61.3054 32.5777 174.0307 106 D 4.8528 9.0112 126.9240 50.9378 44.3037 174.1423 107 P 4.0532 0.0000 0.0000 64.6320 31.5374 176.6569 108 Y 4.0974 10.4954 120.2473 58.1052 36.8073 168.3987 109 E 5.3781 8.4427 121.1291 55.2476 33.7434 173.7043 110 V 5.2742 9.1918 127.3298 61.2941 34.5026 174.3981 111 S 5.3883 9.2587 121.1308 57.5938 67.2493 171.9365 112 Y 5.4640 9.0441 117.9608 56.0674 41.9785 173.5831 113 R 5.0003 9.1988 119.6869 54.8607 33.9800 173.5084 114 I 4.5617 8.7939 126.8640 61.0774 39.2638 175.4779 115 G 4.1588 9.2354 115.1390 45.6295 0.0000 173.8011 116 E 3.9993 8.7955 120.8501 58.8976 29.5800 177.9185 117 D 4.8164 8.0229 115.2224 53.8118 41.3078 176.3485 118 G 4.1075 8.0147 109.1961 43.8624 0.0000 173.9531 119 S 4.3256 8.2452 113.8691 58.0198 63.7275 173.4919 120 I 4.4264 8.0444 122.3565 60.6224 38.0821 174.9452 121 C 4.6382 8.8856 125.2150 57.7528 30.8698 173.0044 122 V 4.4034 8.2403 123.1897 61.9107 31.6421 175.2526 123 L 4.5406 9.0770 128.6252 56.8207 43.0557 176.9115 124 Y 4.8856 7.9490 121.5137 56.8526 42.3114 174.3397 125 E 5.2848 8.2261 123.1692 55.0494 33.8032 171.4202 126 E 4.6824 8.8073 122.9382 54.0763 33.3590 174.2692 127 A 4.2976 8.5564 127.5938 50.4375 19.8099 176.1491 128 P 3.8114 0.0000 0.0000 62.5952 31.2368 176.4562 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 9 D 8.36 4.44 0.00 2.74 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 *11 L 7.63 4.21 0.00 1.62 1.76 0.87 0.90 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 P 0.00 4.18 0.00 2.07 2.16 0.00 3.60 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 2.20 2.23 0.00 13 E 7.78 3.40 0.00 2.14 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 2.82 2.20 0.00 14 I 7.56 3.67 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.55 0.74 0.00 0.00 15 A 8.23 3.93 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 16 A 8.07 4.00 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 17 A 8.07 4.03 1.45 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 0.00 0.00 18 V 8.28 3.69 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 0.99 0.00 0.00 0.88 0.00 0.00 19 G 8.64 3.74 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 0.00 0.00 0.00 20 F 8.36 4.28 0.00 3.07 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 21 L 7.88 3.67 0.00 2.03 1.77 0.99 0.63 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 22 S 8.63 4.10 0.00 4.07 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 23 S 8.08 4.07 0.00 3.97 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 24 L 7.49 3.80 0.00 1.60 1.44 0.01 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.67 3.83 0.00 1.62 1.46 -0.06 0.62 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 26 R 7.76 3.82 0.00 1.82 2.05 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 27 T 7.82 4.07 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 1.18 0.00 0.00 28 R 7.96 4.31 0.00 1.92 1.83 0.00 3.25 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 29 G 7.79 4.11 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 0.00 0.00 0.00 30 C 8.15 4.64 0.00 2.71 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 31 V 7.57 4.36 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 0.92 0.00 0.00 0.82 0.00 0.00 32 S 8.45 4.32 0.00 4.07 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 33 E 8.64 3.97 0.00 1.99 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 2.39 2.30 0.00 34 Q 8.01 3.94 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 35 R 7.86 3.93 0.00 2.07 1.94 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 36 L 8.26 4.14 0.00 1.69 1.74 0.88 0.90 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 37 K 8.39 4.01 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 38 V 7.78 3.77 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 0.94 0.00 0.00 1.00 0.00 0.00 39 F 8.61 4.07 0.00 3.15 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 40 S 8.54 4.07 0.00 3.96 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 41 G 8.16 3.50 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 0.00 42 A 8.00 3.90 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 43 L 7.76 3.62 0.00 0.98 1.19 0.54 0.93 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 44 Q 8.14 3.86 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 45 E 8.17 3.83 0.00 1.98 1.96 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 2.24 2.20 0.00 46 A 8.08 4.08 1.17 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 0.00 0.00 47 L 7.87 3.52 0.00 1.30 0.85 0.74 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.50 3.69 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 1.06 0.00 0.00 49 E 8.03 4.07 0.00 1.99 1.96 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 2.24 2.19 0.00 50 H 7.93 4.53 0.00 3.16 3.34 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.32 4.86 0.00 2.90 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 52 K 7.41 3.70 0.00 1.91 1.63 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.36 7.81 53 H 7.95 4.77 0.00 3.02 3.16 0.00 5.71 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.15 4.84 0.00 2.95 3.05 0.00 5.80 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 6.85 4.74 0.00 3.29 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 56 F 7.71 4.74 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 57 P 0.00 3.98 0.00 2.15 2.17 0.00 3.72 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 2.14 2.16 0.00 58 E 8.14 4.30 0.00 1.99 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 2.35 2.43 0.00 59 K 8.12 4.61 0.00 1.72 1.62 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.36 7.81 60 P 0.00 4.14 0.00 2.01 2.23 0.00 3.66 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 2.08 2.34 0.00 61 S 7.96 4.16 0.00 3.84 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 62 K 7.81 4.12 0.00 1.61 1.82 0.00 1.45 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.10 1.19 7.81 63 G 9.06 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 0.00 0.00 0.00 64 S 8.43 4.39 0.00 4.07 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 65 G 8.13 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 0.00 0.00 0.00 66 Y 8.05 4.22 0.00 3.00 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 67 R 8.13 4.13 0.00 1.80 1.50 0.00 2.64 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.78 0.00 68 C 7.76 4.34 0.00 3.34 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 69 I 8.92 4.47 1.87 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 1.25 0.72 0.90 0.00 0.00 70 R 8.55 5.06 0.00 1.60 1.74 0.00 3.13 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 71 I 8.86 4.66 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.96 0.90 0.00 0.00 72 N 9.28 5.15 0.00 2.58 2.21 0.00 0.00 6.70 8.57 0.00 0.00 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 H 9.32 4.37 0.00 2.92 3.03 0.00 7.15 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.25 4.60 0.00 1.65 1.60 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.22 7.81 *76 D 8.43 4.60 0.00 2.94 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 77 P 0.00 4.26 0.00 2.25 2.26 0.00 3.69 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 2.00 2.01 0.00 78 I 7.70 3.66 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.75 0.00 0.00 79 I 8.24 3.74 2.00 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 1.56 0.79 0.99 0.00 0.00 80 S 8.13 4.12 0.00 4.02 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 81 R 7.75 3.94 0.00 1.96 2.04 0.00 3.03 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 82 V 7.97 3.67 1.96 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 0.74 0.00 0.00 0.80 0.00 0.00 83 A 8.57 4.23 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 84 S 8.01 4.32 0.00 4.11 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 85 Q 7.88 4.10 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.18 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 86 I 7.50 4.46 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.76 1.07 0.00 0.00 87 G 8.08 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.85 4.70 0.00 1.80 1.52 0.71 0.58 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 89 S 8.66 4.63 0.00 4.05 3.98 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 90 Q 8.40 3.91 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 91 P 0.00 4.31 0.00 2.15 2.12 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 92 Q 7.97 3.95 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 93 L 8.03 3.87 0.00 1.75 1.61 0.89 1.01 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 94 H 8.35 4.12 0.00 3.28 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.62 4.17 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 96 L 7.91 4.15 0.00 1.50 1.60 0.81 1.08 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 97 L 7.21 4.46 0.00 1.64 1.49 0.84 1.06 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 98 P 0.00 4.42 0.00 2.07 2.03 0.00 3.58 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 99 S 8.70 4.32 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.84 4.98 0.00 1.62 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 2.19 1.83 0.00 101 L 7.75 4.95 0.00 1.78 1.55 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.75 4.67 3.45 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 0.21 0.00 0.00 103 L 8.74 4.88 0.00 1.69 1.61 0.96 1.06 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 0.00 104 W 9.19 5.02 0.00 3.45 3.15 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 0.00 105 V 8.77 4.73 2.36 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 1.09 0.00 0.00 1.11 0.00 0.00 106 D 9.01 4.85 0.00 2.85 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 0.00 107 P 0.00 4.05 0.00 1.68 1.25 0.00 3.39 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.44 0.00 108 Y 10.50 4.10 0.00 3.27 3.41 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 0.00 109 E 8.44 5.38 0.00 2.14 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 2.31 2.33 0.00 110 V 9.19 5.27 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 1.19 0.00 0.00 1.01 0.00 0.00 111 S 9.26 5.39 0.00 4.11 3.98 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 0.00 112 Y 9.04 5.46 0.00 3.12 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 0.00 113 R 9.20 5.00 0.00 2.13 1.86 0.00 3.28 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 114 I 8.79 4.56 2.01 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.99 0.00 0.00 115 G 9.24 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 0.00 0.00 0.00 116 E 8.80 4.00 0.00 2.00 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 2.36 2.38 0.00 117 D 8.02 4.82 0.00 2.67 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 8.01 4.11 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 0.00 0.00 0.00 119 S 8.25 4.33 0.00 3.96 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 0.00 120 I 8.04 4.43 1.82 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 1.34 0.78 0.88 0.00 0.00 121 C 8.89 4.64 0.00 1.34 2.42 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 0.00 122 V 8.24 4.40 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 0.86 0.00 0.00 0.92 0.00 0.00 123 L 9.08 4.54 0.00 1.83 1.81 0.49 0.62 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 0.00 124 Y 7.95 4.89 0.00 3.10 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 0.00 125 E 8.23 5.28 0.00 1.72 1.62 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 2.12 1.86 0.00 126 E 8.81 4.68 0.00 1.58 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 2.34 2.43 0.00 127 A 8.56 4.30 1.19 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 0.00 128 P 0.00 3.81 0.00 1.74 1.26 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.02 0.00 * Residues marked with a * may have inaccurate shift predictions.