NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9389 8.3549 109.7357 45.1179 0.0000 174.1148 4 D 4.2572 8.1094 119.1061 53.8022 41.4979 174.4662 5 T 4.4821 8.2537 119.4617 63.0113 70.5679 174.0237 6 T 5.0324 8.4203 116.7926 60.5448 71.4654 173.5835 7 I 4.6815 8.5874 121.1478 60.0841 42.0599 173.3322 8 T 5.0890 8.4828 123.1166 61.7597 71.3221 173.2470 9 I 4.6495 9.1919 125.8860 59.0818 41.8038 173.8869 10 V 4.7612 8.0207 127.8422 61.6655 33.5872 174.8590 11 G 4.1104 8.2108 114.2322 46.4532 0.0000 171.0534 12 N 5.6762 8.3908 117.8884 51.0054 41.9766 174.6206 13 L 4.6769 8.5775 123.4468 55.4480 42.1375 178.3843 14 T 4.3543 8.9909 114.2329 63.9758 69.4202 174.1221 15 A 4.5411 7.7517 122.6860 50.7723 22.0037 175.2697 16 D 4.4262 8.6384 119.7081 53.9036 41.2915 175.5927 17 P 4.4252 0.0000 0.0000 62.5622 31.3013 175.6361 18 E 3.7155 7.8820 119.0695 55.9695 29.9525 173.2618 19 L 3.4948 7.9543 135.0000 53.6292 40.5321 173.6511 20 R 4.6749 8.6583 123.9527 54.3924 34.4481 174.3334 21 F 5.1586 8.5053 116.9791 55.9802 41.9987 175.9484 22 T 4.5096 8.7812 115.5628 60.4323 70.7270 175.4382 23 S 4.1321 8.9513 117.0773 62.1808 62.5772 176.5485 24 S 4.1997 8.0430 111.0995 59.2964 62.6987 174.7531 25 G 3.9012 8.1901 109.2293 45.8793 0.0000 172.8909 26 A 4.6458 7.8460 122.1069 50.5105 20.2406 177.7690 27 A 4.1229 8.9259 125.1398 51.9388 19.8105 176.6050 28 V 4.1135 8.8029 122.2458 59.4434 34.9373 174.7896 29 V 4.4643 8.1752 122.7719 61.1631 34.7463 173.6793 30 N 5.4111 8.2885 125.0169 51.7056 41.1693 173.8749 31 F 5.2413 8.2578 116.4536 56.2033 42.3158 172.8151 32 T 5.0747 8.6863 115.6068 61.8488 71.5030 173.2639 33 V 4.7111 8.9056 126.6573 61.5975 33.4887 174.2672 34 A 4.4879 9.1720 130.9651 50.5156 20.7396 175.3977 35 S 4.8712 9.0275 119.0275 57.0861 64.4349 172.9999 36 T 4.6193 8.2453 118.0355 59.1103 70.3603 172.1722 37 P 4.0365 0.0000 0.0000 63.0883 32.7685 175.6640 *46 E 4.0200 8.4279 116.1798 55.7472 31.2245 172.9371 47 W 5.3669 7.8819 111.0786 58.4922 29.0626 176.9648 48 K 3.6765 8.0707 123.6508 59.1843 33.1450 176.8654 49 D 4.5120 8.6258 117.0642 51.8931 43.0880 175.7032 50 G 3.8170 7.5611 112.5260 45.2162 0.0000 172.0095 51 E 4.3755 8.4202 118.0292 55.7572 30.2435 176.9122 52 A 4.2890 8.5795 125.6945 51.6637 19.7751 176.1173 53 L 4.6123 8.8000 122.1524 53.1935 45.1750 175.2460 54 F 5.1123 9.0784 125.0525 56.0308 40.6525 174.6616 55 L 4.7332 8.7696 125.2804 52.7801 43.9494 176.5085 56 R 4.3328 8.5980 123.4330 56.3041 31.4400 175.3710 57 C 5.2582 8.9563 121.4239 57.7560 32.1939 172.7908 58 N 5.3644 8.6944 118.0803 51.4214 40.7729 172.9907 59 I 5.0689 8.1645 119.2753 59.6349 41.8755 173.4605 60 W 5.0996 8.4549 124.8419 55.6343 33.4722 176.1740 61 R 4.3032 9.3401 118.9281 57.2254 28.1442 178.3404 62 E 3.9528 9.0826 118.6446 60.7478 29.5179 178.4978 63 A 4.0129 8.2524 119.8648 55.5524 18.2905 179.4190 64 A 3.9314 7.6935 118.2759 55.2257 18.4176 179.8047 65 E 3.8976 8.1518 117.1865 59.5629 29.5985 179.0749 66 N 4.3014 8.5609 116.9944 56.3508 38.5327 177.4418 67 V 3.4363 7.9330 119.1620 66.1399 31.4394 177.9941 68 A 3.9096 7.7076 118.8900 55.0154 18.2551 178.7852 69 E 4.0672 8.1906 116.6850 58.3986 29.7926 178.0672 70 S 4.5111 7.6913 113.8329 58.3447 64.1851 174.2163 71 L 4.7341 7.3751 119.9819 53.0689 44.0381 175.2275 72 T 4.6666 7.7397 109.4743 59.3154 72.1428 172.9492 73 R 4.0414 9.3450 122.7607 58.3237 30.1705 176.5098 74 G 3.9779 9.0939 113.8323 45.0405 0.0000 173.7092 75 A 4.0891 7.7235 122.3412 52.2642 19.6306 176.6451 76 R 4.7394 8.6163 122.6299 55.9884 31.6071 175.6028 77 V 4.9855 9.2729 118.9641 59.6404 36.6878 174.3584 78 I 4.8491 8.7693 123.8466 59.6389 39.7722 174.9118 79 V 4.9395 9.2114 127.0046 61.2948 34.7472 174.0669 80 T 5.0002 8.9608 121.7560 60.3009 70.8907 173.8634 81 G 3.9137 8.0893 113.1001 46.3481 0.0000 171.1638 82 R 4.9515 7.7902 118.6629 54.4239 32.6126 175.4440 83 L 4.7237 8.6398 126.2735 54.3658 42.9821 175.9125 84 K 4.8170 9.1299 125.2427 54.8507 36.1245 174.6996 85 Q 5.0669 8.2971 121.0242 55.0736 32.3320 173.8177 86 R 4.7268 8.9146 122.6874 54.3415 34.9462 174.1149 87 S 4.9029 8.1541 115.4805 56.4680 65.9221 173.1026 88 F 4.6935 9.3486 123.0120 56.1159 39.3737 174.0603 89 E 4.4871 8.4811 128.8717 55.2116 30.7211 175.9955 *91 R 4.5611 8.3712 113.9353 56.3387 31.7374 176.4993 92 E 4.6280 7.9095 113.8153 55.4743 32.0261 176.4224 93 G 3.6686 7.3865 105.5225 46.9751 0.0000 169.7349 94 E 3.6922 10.7656 125.3907 54.8476 27.2234 174.2556 95 K 4.1745 8.4940 124.7668 56.9215 33.0360 175.7573 96 R 4.7766 9.2690 126.6316 54.8120 33.2236 173.8252 97 T 5.2746 8.6728 119.8127 60.3783 70.7468 172.9408 98 V 4.7166 8.7523 125.4738 60.3194 35.3825 174.2230 99 V 5.0773 8.1181 114.1286 60.0092 35.5943 174.0115 100 E 4.8093 8.6902 118.1047 55.9035 33.5046 174.1646 101 V 4.7228 8.7768 120.7910 61.1767 34.1674 174.3636 102 E 4.6389 9.0911 128.6159 55.3454 30.1266 175.9505 103 V 4.1081 8.3634 126.1986 63.2728 31.7971 175.5205 104 D 4.7481 9.4728 128.4611 56.4707 42.2748 176.3862 105 E 4.9477 7.9551 116.0197 54.8272 34.2188 174.2524 106 I 5.0869 8.3263 121.8438 59.8623 41.4416 174.0469 107 G 4.3910 8.7107 113.9164 44.0613 0.0000 170.2175 108 P 4.9310 0.0000 0.0000 62.2812 32.0155 176.2047 109 S 4.1903 8.8363 119.6612 58.1824 63.0092 173.6118 110 L 4.7692 8.1566 124.1787 53.8827 41.8550 177.6005 111 R 3.7995 7.9251 121.7324 59.1015 29.8558 177.3197 112 Y 4.8894 7.5451 111.9351 57.0665 38.8009 174.5772 113 A 4.5929 7.5501 121.4351 51.6182 22.0381 176.0232 114 T 4.5018 8.1529 109.1728 60.0370 71.4698 173.3830 115 A 4.5462 7.9382 122.6431 50.5952 21.9722 175.6808 116 K 4.2215 8.5371 122.6949 55.1964 32.6071 176.0954 117 V 4.1875 8.2664 126.5914 61.1761 32.6165 174.4379 118 N 4.8305 8.4784 124.2581 51.0657 40.4225 174.7208 119 K 4.0583 8.6101 123.2935 56.2109 30.9128 177.1414 120 A 4.1702 8.3406 125.5904 52.2761 18.2726 177.3198 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 3 G 8.35 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 0.00 0.00 0.00 4 D 8.11 4.26 0.00 2.76 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 5 T 8.25 4.48 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 6 T 8.42 5.03 4.25 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 1.22 0.00 0.00 7 I 8.59 4.68 1.88 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 1.24 1.46 0.97 0.00 0.00 8 T 8.48 5.09 4.25 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 1.22 0.00 0.00 9 I 9.19 4.65 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.00 0.95 0.00 0.00 10 V 8.02 4.76 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 0.88 0.00 0.00 0.94 0.00 0.00 11 G 8.21 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 12 N 8.39 5.68 0.00 2.68 2.83 0.00 0.00 7.45 6.37 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 13 L 8.58 4.68 0.00 1.63 1.73 0.67 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.99 4.35 4.35 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 1.52 0.00 0.00 15 A 7.75 4.54 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 16 D 8.64 4.43 0.00 2.68 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 17 P 0.00 4.43 0.00 2.14 1.96 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 18 E 7.88 3.72 0.00 2.10 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 2.36 2.14 0.00 19 L 7.95 3.49 0.00 1.71 1.78 0.55 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.66 4.67 0.00 1.61 1.72 0.00 3.27 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 1.51 1.65 0.00 21 F 8.51 5.16 0.00 3.03 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 22 T 8.78 4.51 4.40 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 1.62 0.00 0.00 23 S 8.95 4.13 0.00 3.93 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 24 S 8.04 4.20 0.00 4.01 4.02 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 25 G 8.19 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 0.00 0.00 0.00 26 A 7.85 4.65 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 27 A 8.93 4.12 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 28 V 8.80 4.11 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 0.00 0.00 0.43 0.00 0.00 -0.62 0.00 0.00 29 V 8.18 4.46 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 1.10 0.00 0.00 0.89 0.00 0.00 30 N 8.29 5.41 0.00 2.51 2.59 0.00 0.00 6.15 8.01 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 31 F 8.26 5.24 0.00 3.05 3.07 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 0.00 0.00 0.00 32 T 8.69 5.07 4.35 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 1.39 0.00 0.00 33 V 8.91 4.71 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 1.06 0.00 0.00 1.23 0.00 0.00 34 A 9.17 4.49 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 4.87 0.00 3.90 3.62 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 36 T 8.25 4.62 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 1.06 0.00 0.00 37 P 0.00 4.04 0.00 1.61 1.80 0.00 3.24 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 *46 E 8.43 4.02 0.00 2.01 1.81 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 2.13 1.88 0.00 47 W 7.88 5.37 0.00 3.25 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 48 K 8.07 3.68 0.00 2.01 1.38 0.00 1.46 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.61 7.81 49 D 8.63 4.51 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.56 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 51 E 8.42 4.38 0.00 1.95 1.94 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 2.20 2.25 0.00 52 A 8.58 4.29 0.95 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 53 L 8.80 4.61 0.00 1.61 1.37 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.08 5.11 0.00 2.93 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 55 L 8.77 4.73 0.00 1.58 1.57 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.60 4.33 0.00 1.75 1.80 0.00 3.05 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 57 C 8.96 5.26 0.00 1.23 1.99 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 58 N 8.69 5.36 0.00 2.51 2.66 0.00 0.00 6.44 7.20 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 59 I 8.16 5.07 2.01 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 1.32 1.70 1.02 0.00 0.00 60 W 8.45 5.10 0.00 3.31 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 61 R 9.34 4.30 0.00 2.12 1.95 0.00 3.20 0.00 0.00 3.32 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 62 E 9.08 3.95 0.00 2.09 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 2.44 2.49 0.00 63 A 8.25 4.01 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 64 A 7.69 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.90 0.00 2.22 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 2.38 2.55 0.00 66 N 8.56 4.30 0.00 2.88 2.87 0.00 0.00 6.69 7.44 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 67 V 7.93 3.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 68 A 7.71 3.91 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 69 E 8.19 4.07 0.00 2.09 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 2.32 2.35 0.00 70 S 7.69 4.51 0.00 3.86 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 71 L 7.38 4.73 0.00 1.53 1.43 0.69 1.03 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 72 T 7.74 4.67 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 1.19 0.00 0.00 73 R 9.34 4.04 0.00 1.96 1.90 0.00 3.38 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 74 G 9.09 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 0.00 0.00 0.00 75 A 7.72 4.09 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 76 R 8.62 4.74 0.00 2.00 1.87 0.00 3.36 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 77 V 9.27 4.99 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 0.61 0.00 0.00 0.96 0.00 0.00 78 I 8.77 4.85 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 1.11 1.27 0.92 0.00 0.00 79 V 9.21 4.94 2.17 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 0.88 0.00 0.00 1.11 0.00 0.00 80 T 8.96 5.00 4.26 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 1.29 0.00 0.00 81 G 8.09 3.91 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 0.00 0.00 0.00 82 R 7.79 4.95 0.00 1.82 1.84 0.00 3.18 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 83 L 8.64 4.72 0.00 1.82 1.57 nan 0.92 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 84 K 9.13 4.82 0.00 1.69 1.65 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.35 7.81 85 Q 8.30 5.07 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.17 2.47 0.00 86 R 8.91 4.73 0.00 1.55 1.02 0.00 3.20 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 87 S 8.15 4.90 0.00 3.72 3.68 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 88 F 9.35 4.69 0.00 2.97 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 89 E 8.48 4.49 0.00 2.00 1.79 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 2.34 2.31 0.00 *91 R 8.37 4.56 0.00 1.84 1.99 0.00 3.08 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 92 E 7.91 4.63 0.00 1.98 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 2.27 2.30 0.00 93 G 7.39 3.67 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 0.00 0.00 0.00 94 E 10.77 3.69 0.00 2.18 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 2.22 2.38 0.00 95 K 8.49 4.17 0.00 1.77 1.73 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 R 9.27 4.78 0.00 1.93 1.96 0.00 3.52 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 97 T 8.67 5.27 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 1.22 0.00 0.00 98 V 8.75 4.72 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 0.91 0.00 0.00 0.99 0.00 0.00 99 V 8.12 5.08 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 0.77 0.00 0.00 0.95 0.00 0.00 100 E 8.69 4.81 0.00 2.12 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 2.18 2.22 0.00 101 V 8.78 4.72 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 0.97 0.00 0.00 0.92 0.00 0.00 102 E 9.09 4.64 0.00 1.99 1.95 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 2.55 2.29 0.00 103 V 8.36 4.11 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 0.95 0.00 0.00 1.02 0.00 0.00 104 D 9.47 4.75 0.00 2.77 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 0.00 105 E 7.96 4.95 0.00 1.85 1.79 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 2.32 2.26 0.00 106 I 8.33 5.09 1.98 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 0.93 0.00 0.00 107 G 8.71 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 0.00 0.00 0.00 0.00 108 P 0.00 4.93 0.00 2.07 2.04 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 109 S 8.84 4.19 0.00 3.87 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 0.00 110 L 8.16 4.77 0.00 1.63 1.63 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.93 3.80 0.00 1.50 1.45 0.00 2.42 0.00 0.00 2.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 112 Y 7.55 4.89 0.00 2.97 2.81 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 0.00 113 A 7.55 4.59 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 0.00 114 T 8.15 4.50 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 1.22 0.00 0.00 115 A 7.94 4.55 1.20 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 0.00 0.00 116 K 8.54 4.22 0.00 1.72 1.74 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.36 7.81 117 V 8.27 4.19 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 0.88 0.00 0.00 0.93 0.00 0.00 118 N 8.48 4.83 0.00 2.70 2.70 0.00 0.00 7.17 7.61 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 0.00 119 K 8.61 4.06 0.00 1.75 1.81 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 120 A 8.34 4.17 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 * Residues marked with a * may have inaccurate shift predictions.