NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2959 8.3144 124.0442 55.1388 33.8655 174.2525 8 Q 4.0761 7.9590 124.8562 53.1768 30.7867 172.4615 9 Q 4.9145 7.8078 124.2449 55.8806 32.4466 172.8394 10 G 4.0917 7.6546 112.1468 45.6380 0.0000 171.6885 11 E 4.7543 8.7609 117.0949 56.1799 30.8254 175.9833 12 L 4.6814 8.7280 120.3436 53.5468 47.0167 174.6930 13 Y 5.1568 9.1136 118.7386 57.5033 39.9148 174.7905 14 M 5.2948 9.5028 122.1972 53.3009 36.2071 174.4911 15 W 4.3183 8.4140 133.0391 56.2527 31.5759 175.3014 16 D 4.3855 7.6909 128.7442 52.5213 41.1037 177.0500 17 S 3.7322 8.1864 120.4690 59.5099 62.6911 175.0567 18 I 3.9007 6.7634 122.1418 63.7084 37.5859 176.3778 19 D 4.3260 7.7250 120.5565 54.8379 41.2493 176.2626 20 Q 2.5499 7.1477 120.2560 56.8130 27.1958 173.9082 21 K 4.8584 6.2973 117.6942 53.3903 36.9642 178.0634 22 W 5.3491 9.0240 120.4013 57.0773 30.2940 176.0590 23 T 4.9599 9.2678 113.0767 60.0401 72.2491 172.8746 24 R 4.8564 8.6169 122.2096 55.8428 31.6874 175.1151 25 H 5.2879 9.3565 121.0835 53.8509 33.3853 172.3518 26 F 4.8086 9.0182 124.7102 57.8488 40.6760 174.3044 27 C 5.9093 8.5365 122.4750 57.2699 32.3722 172.7603 28 A 5.1057 8.2000 120.6427 50.8168 22.9244 175.3595 29 I 5.5006 8.6544 120.1833 58.6552 39.6583 175.3442 30 A 4.7646 8.2757 129.3276 51.4346 23.1309 175.0071 31 D 4.4845 8.6261 121.4141 55.8261 40.3137 174.5835 32 A 4.9223 8.9051 130.4947 53.1744 20.2267 175.8090 33 K 5.1402 8.6824 122.5734 54.8134 35.9566 177.4507 34 L 5.2651 9.1695 127.1522 52.6987 44.3219 175.0882 35 S 5.5709 9.3009 122.0888 56.6620 65.4831 173.1472 36 F 5.5220 8.6207 117.0437 55.4463 41.1594 174.8927 37 S 4.6451 8.7839 117.9033 57.4401 65.1397 173.0966 38 D 4.7258 8.3521 120.2239 53.4082 42.1167 175.6275 39 D 4.4608 8.7818 119.4053 54.8239 41.6034 177.0651 40 I 4.0399 8.6517 119.6150 62.1961 37.8782 176.7803 41 E 4.2537 8.6722 123.5116 59.0278 29.8851 178.1779 42 Q 4.2817 7.8193 116.2646 56.7956 28.6521 181.0492 43 T 4.0418 8.0793 108.3392 66.1606 69.3353 176.3489 44 M 4.2596 7.7704 122.6838 54.2249 29.3904 177.5101 *49 P 4.3440 0.0000 0.0000 62.2397 32.6704 177.0068 50 L 4.5958 7.1540 117.7694 51.0340 44.1613 177.8287 51 G 4.1439 8.8049 106.7911 46.0495 0.0000 172.6592 52 S 4.7018 8.1994 115.5629 56.3467 64.5194 173.8503 53 L 4.3480 8.3557 127.4972 55.0216 42.5392 176.8756 54 C 4.6426 7.7102 117.1539 59.0233 32.4969 175.5576 55 R 4.1828 7.7211 119.4870 58.7892 29.9202 179.8474 56 G 3.7934 6.9113 101.6411 46.1360 0.0000 172.7266 57 I 5.3241 8.2997 121.4341 59.3770 41.1303 174.5457 58 L 4.9343 9.2419 126.7712 53.0333 44.7584 175.3238 59 D 5.0880 8.9197 123.4122 53.0471 41.3964 176.7478 60 L 4.2517 9.0875 128.2616 57.7515 41.9818 179.7605 61 N 4.3697 8.5264 115.9172 56.1191 38.6396 175.9602 62 T 4.1626 8.2231 107.1323 62.3402 69.5590 173.6002 63 Y 5.1995 7.7840 119.3269 56.4411 41.1271 174.4258 64 N 5.3002 9.4490 116.8354 51.7925 43.3730 174.1440 65 V 5.0187 8.4818 114.0445 59.8685 33.6402 175.3793 66 V 4.6927 8.9115 125.6361 61.0712 34.4165 174.2894 67 K 5.0107 8.9216 126.2977 55.0046 34.5136 175.9805 68 A 4.6054 8.3737 128.5339 49.7181 18.9693 175.7418 69 P 4.2878 0.0000 0.0000 66.7520 31.5073 178.6898 70 Q 3.9828 7.9117 113.9110 57.2177 28.9665 177.2511 71 G 3.7235 9.3249 106.6165 45.6864 0.0000 172.2674 72 K 4.1737 8.3720 115.6724 56.8952 35.7425 175.8000 73 N 3.9497 9.5292 120.8707 54.6273 35.9232 174.7665 74 Q 3.5954 8.0779 110.9543 56.3365 27.1077 173.7339 75 K 4.2997 7.8532 118.2656 54.4983 34.0305 177.7634 76 S 3.6892 8.2242 119.5657 60.3832 63.1326 173.9638 77 F 5.0356 7.5421 119.0747 55.8084 41.2546 174.9205 78 V 5.1170 8.4460 116.4600 59.4036 36.3071 174.7015 79 F 5.5449 8.6660 117.0995 55.2705 41.6494 173.8536 80 I 4.9207 9.2168 120.4918 59.7368 40.9422 174.9179 81 L 5.2012 9.0193 127.6462 53.5727 42.1792 174.6230 82 E 5.0650 9.0111 122.8801 54.0419 31.7399 174.1808 83 P 4.6856 0.0000 0.0000 62.8394 32.2361 177.1425 84 K 4.2865 8.8556 125.9131 55.4660 31.9303 177.8931 85 Q 4.6483 7.1940 119.5285 55.5551 31.2223 182.0991 86 Q 3.5821 7.8106 124.5407 54.1849 26.6690 171.8005 *89 P 4.3370 0.0000 0.0000 61.5470 33.1772 175.0521 90 P 4.7947 0.0000 0.0000 62.4815 32.4596 175.8823 91 V 4.0291 8.3219 123.5562 61.3206 33.5927 174.1773 92 E 4.6777 8.3604 127.2348 54.7974 31.6388 175.0928 93 F 5.3160 8.2057 123.2071 56.0627 42.1436 174.7750 94 A 5.0607 8.6933 121.1436 51.1000 22.7199 175.3227 95 T 5.0269 8.6480 109.6361 60.1449 71.9711 174.4247 96 D 4.5709 9.3069 123.7519 57.7389 41.2930 178.2647 97 K 4.5497 7.8743 123.7582 54.8765 34.9459 179.5191 98 V 2.6005 7.3533 122.6138 64.1383 30.8713 178.4608 99 E 3.8080 7.8181 117.6611 59.1662 29.2637 178.9275 100 E 4.0145 8.0300 118.8788 59.0370 29.8104 178.4405 101 L 4.2083 7.5987 120.4365 58.8521 42.1043 179.2866 102 F 4.1921 8.2899 116.6477 60.4366 38.7393 177.5389 103 E 3.8614 7.9824 118.4117 59.2369 29.0517 179.2481 104 W 4.1720 8.2210 118.6619 58.9688 29.0548 178.2325 105 F 3.6932 7.7943 120.4026 60.6482 39.1008 177.2908 106 Q 3.8609 8.3115 117.9605 59.1526 28.3419 178.9105 107 S 3.9644 7.9992 114.8577 61.9799 63.2417 176.8575 108 I 3.7796 7.0270 121.7593 64.2514 36.7319 178.4844 109 R 3.9246 7.8524 122.0025 59.4068 29.5672 178.6992 110 E 4.4015 8.0563 114.0854 58.9015 29.3347 180.3976 111 I 4.7409 7.7954 119.7474 63.2359 40.3415 176.6989 112 T 4.3004 8.0052 108.2573 62.3053 69.3239 174.7520 113 W 4.3701 8.1737 126.9792 56.9255 29.5222 175.2850 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 7 K 8.31 4.30 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 7.96 4.08 0.00 1.86 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 9 Q 7.81 4.91 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 10 G 7.65 4.09 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 0.00 11 E 8.76 4.75 0.00 2.01 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 2.23 2.20 0.00 12 L 8.73 4.68 0.00 1.39 1.44 -0.39 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 9.11 5.16 0.00 2.81 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 14 M 9.50 5.29 0.00 1.56 1.60 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.91 0.00 15 W 8.41 4.32 0.00 2.15 2.56 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 0.00 16 D 7.69 4.39 0.00 2.65 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 0.00 0.00 0.00 0.00 17 S 8.19 3.73 0.00 3.89 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 18 I 6.76 3.90 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 1.21 0.37 0.81 0.00 0.00 19 D 7.73 4.33 0.00 2.48 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 20 Q 7.15 2.55 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 21 K 6.30 4.86 0.00 1.38 1.59 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.03 7.81 22 W 9.02 5.35 0.00 3.24 3.31 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 23 T 9.27 4.96 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 1.32 0.00 0.00 24 R 8.62 4.86 0.00 1.82 1.85 0.00 3.15 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 25 H 9.36 5.29 0.00 3.16 3.49 0.00 5.62 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 26 F 9.02 4.81 0.00 3.25 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 27 C 8.54 5.91 0.00 2.45 2.66 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 0.00 0.00 0.00 0.00 28 A 8.20 5.11 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 29 I 8.65 5.50 1.82 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 1.24 1.91 0.90 0.00 0.00 30 A 8.28 4.76 1.24 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 31 D 8.63 4.48 0.00 2.84 1.80 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 32 A 8.91 4.92 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 33 K 8.68 5.14 0.00 1.39 1.63 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 9.17 5.27 0.00 1.75 1.64 0.68 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.30 5.57 0.00 3.94 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 36 F 8.62 5.52 0.00 3.28 3.20 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 0.00 0.00 0.00 37 S 8.78 4.65 0.00 4.20 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 38 D 8.35 4.73 0.00 2.63 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 39 D 8.78 4.46 0.00 2.70 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 40 I 8.65 4.04 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 1.07 0.00 0.00 41 E 8.67 4.25 0.00 2.26 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 2.34 2.28 0.00 42 Q 7.82 4.28 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 43 T 8.08 4.04 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 44 M 7.77 4.26 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 *49 P 0.00 4.34 0.00 2.11 1.95 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 1.84 1.59 0.00 50 L 7.15 4.60 0.00 1.59 1.30 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.80 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 52 S 8.20 4.70 0.00 3.87 3.81 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 0.00 0.00 0.00 53 L 8.36 4.35 0.00 1.62 1.63 0.77 0.91 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 54 C 7.71 4.64 0.00 2.93 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 55 R 7.72 4.18 0.00 1.66 1.83 0.00 3.36 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 56 G 6.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 5.32 1.92 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 1.38 0.69 0.99 0.00 0.00 58 L 9.24 4.93 0.00 1.79 1.69 0.90 0.91 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 59 D 8.92 5.09 0.00 2.82 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 60 L 9.09 4.25 0.00 1.91 1.81 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.53 4.37 0.00 2.97 2.92 0.00 0.00 6.99 7.16 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 62 T 8.22 4.16 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 1.24 0.00 0.00 63 Y 7.78 5.20 0.00 2.91 2.94 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 64 N 9.45 5.30 0.00 2.84 2.78 0.00 0.00 7.27 8.40 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 65 V 8.48 5.02 1.69 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 0.69 0.00 0.00 0.67 0.00 0.00 66 V 8.91 4.69 2.22 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 1.07 0.00 0.00 1.10 0.00 0.00 67 K 8.92 5.01 0.00 1.54 1.59 0.00 1.66 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.50 7.81 68 A 8.37 4.61 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 69 P 0.00 4.29 0.00 2.06 2.16 0.00 3.71 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 2.06 2.12 0.00 70 Q 7.91 3.98 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 71 G 9.32 3.72 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 0.00 0.00 0.00 72 K 8.37 4.17 0.00 1.74 1.57 0.00 1.64 0.00 0.00 1.28 0.00 0.00 3.06 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.07 1.25 7.81 73 N 9.53 3.95 0.00 2.27 2.09 0.00 0.00 7.03 7.69 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 74 Q 8.08 3.60 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 75 K 7.85 4.30 0.00 1.37 1.07 0.00 1.03 0.00 0.00 1.21 0.00 0.00 2.51 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.22 3.69 0.00 2.90 2.63 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 0.00 0.00 0.00 0.00 77 F 7.54 5.04 0.00 3.12 2.94 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 78 V 8.45 5.12 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 0.98 0.00 0.00 1.01 0.00 0.00 79 F 8.67 5.54 0.00 3.38 3.33 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 80 I 9.22 4.92 1.98 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 1.24 0.77 1.01 0.00 0.00 81 L 9.02 5.20 0.00 1.67 1.20 1.27 0.88 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 82 E 9.01 5.07 0.00 2.15 2.16 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 2.33 2.38 0.00 83 P 0.00 4.69 0.00 2.07 1.68 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.48 0.00 84 K 8.86 4.29 0.00 1.76 1.69 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.25 7.81 85 Q 7.19 4.65 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.20 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 86 Q 7.81 3.58 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 *89 P 0.00 4.34 0.00 2.08 2.07 0.00 3.71 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 1.95 2.13 0.00 90 P 0.00 4.79 0.00 1.95 2.02 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 91 V 8.32 4.03 1.76 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 0.21 0.00 0.00 0.77 0.00 0.00 92 E 8.36 4.68 0.00 1.87 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 2.25 2.25 0.00 93 F 8.21 5.32 0.00 1.51 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 0.00 0.00 0.00 0.00 94 A 8.69 5.06 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 95 T 8.65 5.03 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 1.41 0.00 0.00 96 D 9.31 4.57 0.00 2.81 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 97 K 7.87 4.55 0.00 1.75 1.67 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.04 7.81 98 V 7.35 2.60 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 0.00 0.00 0.43 0.00 0.00 0.41 0.00 0.00 99 E 7.82 3.81 0.00 2.11 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 2.27 2.29 0.00 100 E 8.03 4.01 0.00 2.28 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 0.00 2.49 2.40 0.00 101 L 7.60 4.21 0.00 1.91 2.00 1.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.29 4.19 0.00 2.98 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 0.00 103 E 7.98 3.86 0.00 2.10 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 2.23 2.31 0.00 104 W 8.22 4.17 0.00 3.26 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 0.00 105 F 7.79 3.69 0.00 3.17 3.01 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 0.00 106 Q 8.31 3.86 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 107 S 8.00 3.96 0.00 3.47 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 0.00 108 I 7.03 3.78 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.87 0.00 0.00 109 R 7.85 3.92 0.00 1.40 1.46 0.00 2.78 0.00 0.00 2.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.30 0.00 110 E 8.06 4.40 0.00 2.07 1.82 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 2.26 2.22 0.00 111 I 7.80 4.74 2.01 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 1.35 1.05 0.95 0.00 0.00 112 T 8.01 4.30 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 1.37 0.00 0.00 113 W 8.17 4.37 0.00 3.24 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 * Residues marked with a * may have inaccurate shift predictions.