NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.9317 8.2833 118.3492 52.9880 39.3573 172.6484 4 Y 5.2916 8.6559 117.5181 54.8595 40.9368 173.5820 5 R 4.7784 9.9011 119.3807 54.9837 33.7973 173.8548 6 K 4.0507 7.8825 120.1597 55.6261 32.8193 176.8725 7 A 4.1084 8.6158 127.4686 53.0347 19.2093 174.6844 8 D 4.3344 9.5000 120.1530 54.5055 40.0131 179.4017 *10 K 4.1150 9.1390 131.3336 56.9047 34.2844 175.1712 11 D 4.6275 7.9816 117.3325 54.6253 40.8618 178.0682 12 I 3.3688 7.4621 121.8250 64.3333 37.2354 177.6680 13 S 4.0137 7.9992 113.3680 61.2967 62.0377 175.7965 14 L 3.8449 7.7344 122.2071 58.2881 41.9166 178.7550 15 L 3.7354 7.6877 118.8069 57.5811 41.2219 179.7898 16 V 3.7153 7.7970 118.4597 66.1922 31.5143 178.3691 17 S 4.0945 7.8764 114.6309 61.6861 62.6620 176.7993 18 I 3.4768 7.9206 122.7862 64.0746 36.6764 178.3811 19 R 3.8804 7.9935 119.6641 59.4207 29.8997 178.7538 20 K 3.9196 7.8096 118.2609 59.3398 31.9820 179.1966 21 R 3.7888 7.7846 119.0086 59.3257 29.9576 178.1929 22 Q 4.0083 8.0222 119.5556 59.3221 29.0986 178.3710 23 L 3.9798 8.0761 119.9817 57.8588 41.5913 179.4163 24 I 4.0062 7.7310 121.0115 64.0512 36.8983 178.2142 25 D 4.4407 8.0775 117.8709 56.8532 40.7009 177.8218 26 E 4.3349 8.0179 117.2980 56.6919 29.6819 177.2992 27 G 3.9347 8.2595 107.9260 45.4255 0.0000 173.1703 28 I 4.2772 7.4804 120.0679 59.5259 38.4914 174.8497 29 E 4.3234 8.5436 124.5796 55.6001 30.3712 176.2797 30 P 4.6107 0.0000 0.0000 61.6077 29.7931 175.6268 31 N 4.9999 7.7710 114.4176 52.1676 39.6147 175.0994 32 I 4.3272 7.2035 109.0611 59.6359 39.9628 174.0319 33 D 4.4395 8.5942 122.6912 54.4118 40.1238 176.1265 34 I 4.4717 7.9576 121.1376 60.2184 38.1842 176.6640 35 D 4.3723 8.0691 122.2342 57.8266 40.6586 178.6406 36 K 4.0220 7.9486 119.4365 59.3376 32.1757 178.6927 37 E 3.9511 8.0722 118.4074 59.4737 29.5566 178.9533 38 L 4.1149 8.5538 119.3123 58.2405 41.6962 179.9121 39 T 4.0553 7.9127 115.0353 66.5588 68.3474 176.5615 40 R 3.8664 7.9833 120.6616 59.7037 30.0122 177.4347 41 Y 4.0357 8.2451 119.3902 60.9679 38.5855 178.2935 42 F 4.0915 8.2724 118.0981 60.6544 39.2225 177.3276 43 N 4.3217 8.1759 115.8727 56.4981 38.3945 176.9651 44 N 4.2498 8.3121 117.8492 56.5478 38.6369 177.7161 45 K 3.8638 8.0215 119.8902 59.2179 32.1308 179.6082 46 L 3.9481 8.1532 119.3774 57.8160 41.3626 179.4331 47 A 4.0401 7.6962 118.9906 54.5871 18.3614 178.4247 48 N 4.6520 7.6899 111.4812 52.0433 39.0986 174.4657 49 N 4.2331 7.8024 117.6142 54.9808 37.9501 174.3041 50 L 4.8503 8.2328 115.0463 54.3796 43.1158 176.2082 51 L 4.8458 7.6187 120.3587 53.3757 45.4786 174.9714 52 V 4.4003 8.7396 125.3503 60.9819 34.6880 173.5876 53 E 5.0935 8.6248 128.1876 54.1420 32.2478 174.7129 54 W 4.8470 9.4855 128.3102 56.6611 30.8729 175.5732 55 I 5.1091 9.3427 124.0183 59.5201 40.2219 174.1859 56 A 4.6854 9.0185 128.4796 50.1248 21.0185 175.3457 57 E 5.0437 8.6782 122.6814 54.7178 33.8570 174.8184 58 E 4.4131 9.2396 124.0725 56.5558 32.7330 175.1215 59 N 4.2859 9.2267 122.7440 54.1576 35.6341 174.1375 60 N 4.1875 8.3254 111.7006 53.9707 36.3210 173.3078 61 Q 4.4900 7.5291 119.9170 53.9714 30.3696 174.7162 62 I 4.2351 8.2951 125.9581 61.1880 38.9502 174.8451 63 I 4.4221 9.0073 127.6931 62.6291 39.4454 175.4125 64 A 5.2942 7.6768 121.1158 50.8603 22.6077 175.2159 65 T 5.3461 8.7527 109.0535 60.3344 72.4171 173.4284 66 A 4.8145 8.6926 121.9926 51.2376 23.2130 175.3703 67 A 5.3556 9.1317 123.7541 50.0964 23.3784 174.6005 68 I 4.8726 8.7943 119.0653 59.1602 41.3800 174.0622 69 A 4.7681 9.0057 131.1129 50.2862 21.7833 175.5147 70 F 5.3599 8.4773 120.1517 56.2335 40.3661 175.4481 71 I 4.4481 8.8932 125.3881 59.4329 40.1088 174.7033 72 D 4.9221 8.4365 126.1709 53.3655 41.8098 175.9339 73 F 4.9346 8.8215 122.3449 54.5435 42.6842 173.4686 74 P 4.6073 0.0000 0.0000 62.2901 31.3926 175.0424 75 P 4.5954 0.0000 0.0000 63.6886 32.2106 175.2808 76 T 4.4137 8.1408 115.2631 60.3904 70.7347 174.1671 77 Y 4.3013 8.1193 121.6012 60.7969 37.8708 177.5494 78 T 4.4494 7.8316 107.1257 61.8449 69.6840 175.2277 79 N 4.9606 8.2082 120.9924 52.0703 40.5122 173.9500 80 K 3.8486 8.6709 124.2449 59.1992 32.3943 177.6206 81 T 4.1462 7.9491 105.1241 61.4590 69.5602 175.9510 82 G 4.3754 8.3229 110.1496 46.2497 0.0000 173.6439 83 R 4.8611 7.4830 118.9393 56.0192 30.9805 176.2475 84 K 4.9987 9.4166 121.3376 54.6800 36.9488 175.4499 85 G 4.3780 9.0623 110.3671 45.6292 0.0000 172.0649 86 Y 5.2907 9.3812 126.2118 55.7610 40.9752 174.4961 87 I 4.4058 7.9363 128.4853 61.2566 38.4643 175.3055 88 T 3.9618 8.8839 119.3676 61.7619 71.7862 169.4318 89 N 5.0128 8.6836 123.2865 52.3108 37.3350 173.3960 *91 Y 4.5563 8.0168 122.8308 57.7326 40.4754 173.6432 92 T 4.7374 7.6467 121.6828 60.9504 71.9404 173.5781 93 E 3.6453 8.5746 124.3528 55.5192 30.3613 176.0538 94 P 4.1172 0.0000 0.0000 66.1849 31.4318 178.1917 95 T 4.1444 7.8495 103.8324 63.0005 68.7135 174.5930 96 S 4.6429 7.8982 117.2853 58.2678 64.0102 174.5855 97 R 3.9528 7.6376 120.0582 57.3056 30.2497 176.6402 98 G 3.8517 8.7982 107.9283 46.4763 0.0000 173.6904 99 N 4.7659 8.1556 113.4146 52.4835 39.3707 175.4239 100 G 3.9272 8.1935 106.1685 45.9821 0.0000 175.9399 101 I 3.6778 7.8248 120.2287 64.2705 37.2857 177.4901 102 A 4.1549 7.9504 121.3191 55.4929 18.5693 178.9038 103 T 4.0221 8.0387 111.7238 66.8609 68.5218 177.7510 104 G 3.7352 8.1166 111.0412 45.3485 0.0000 175.5924 *106 L 4.1344 8.1288 121.0781 54.4843 43.8499 179.2360 107 D 4.4848 7.7645 118.0248 57.5715 40.6528 179.1974 108 R 3.7113 7.6568 117.9609 59.0758 30.0563 178.9619 109 L 4.1319 7.7546 118.3955 57.7211 41.7167 179.4782 110 V 3.6833 8.2116 118.6555 65.9623 31.4838 177.4859 111 N 4.3389 8.2556 116.7857 56.8366 38.4353 176.4334 112 E 4.1460 8.3760 119.6775 59.6137 29.5604 179.3640 113 A 4.1276 8.2058 120.4439 55.1399 18.4498 179.7439 114 K 3.9191 8.2080 116.9886 59.8179 32.0078 179.3816 115 E 4.1159 8.2572 116.8452 58.2740 29.2813 178.0117 116 R 4.3979 6.9062 116.3685 55.2290 30.5384 175.4730 117 N 4.2208 8.0566 113.5598 54.7300 36.4627 174.3270 118 I 4.5562 8.0074 118.1944 59.8677 39.2960 175.7594 119 H 4.8581 8.8257 118.5310 54.8345 30.0476 173.3429 120 K 4.5724 7.8458 120.7909 54.8936 34.1859 174.9226 121 I 5.2676 8.4731 126.0683 59.5573 39.9028 174.6953 122 C 5.2936 9.1632 121.4628 56.6698 33.4241 172.2672 123 L 4.1959 7.9859 117.6976 55.2220 42.6590 174.0603 124 V 4.0469 7.8778 118.9937 60.7932 32.7777 174.8440 125 A 4.3221 8.3790 130.7856 51.5977 19.4534 177.1382 126 S 4.6093 8.4391 117.3252 56.7260 64.9924 175.3250 127 K 3.9011 8.6677 119.4411 59.6661 31.6726 178.7732 128 L 4.1782 7.8302 116.3166 56.5821 42.4159 178.8221 129 G 3.4054 7.9056 105.2979 46.7069 0.0000 175.6786 130 R 3.9653 7.8618 121.0872 59.2017 30.0972 176.6329 131 P 4.2048 0.0000 0.0000 65.5742 31.4580 178.7220 132 V 3.5070 7.2841 116.4005 66.2375 31.4776 177.5969 133 Y 4.4172 7.1843 116.1919 60.8362 37.6141 178.2053 134 K 4.2236 8.2991 119.5497 59.6614 32.0494 179.0190 135 K 3.9044 7.7744 118.0004 60.0404 32.0951 177.8231 136 Y 4.2085 7.8979 118.5987 59.7120 38.8629 175.3571 137 G 3.6439 7.8871 106.3460 44.8876 0.0000 174.0891 138 F 4.1201 8.6601 120.7212 57.5613 39.3822 174.5883 139 Q 4.7318 8.4912 123.9457 53.7263 30.7861 175.3654 140 D 4.5894 8.6444 121.9086 55.2504 41.4430 176.6536 141 T 4.5251 8.1067 116.5736 62.8735 71.0675 172.9852 142 D 4.8709 8.7520 126.3655 54.4635 41.5576 177.1629 143 E 4.1735 8.3344 118.1479 57.9528 30.0745 177.1513 144 W 4.2987 8.1735 117.7936 56.1588 29.7586 175.6983 145 L 5.0019 8.4395 122.3959 52.9237 44.6927 175.7635 146 E 4.7807 8.6798 120.3499 54.4228 33.2065 174.7364 147 L 4.6499 8.5485 124.0495 53.0633 44.6455 174.8338 148 N 4.8274 8.4882 124.0403 51.7280 39.6465 175.2041 149 L 4.1827 8.4688 126.1472 56.9167 42.1141 178.4696 150 L 4.2463 8.2025 118.6459 57.2712 42.0464 178.3649 151 E 3.9910 8.2412 117.0791 58.8016 29.6660 176.5595 152 H 4.7695 7.9281 118.9347 54.4337 29.6532 174.0793 153 H 4.8906 7.7903 130.0210 55.8648 28.5703 175.5272 154 H 4.5650 8.4792 120.2548 56.7350 28.6535 175.0029 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 N 8.28 4.93 0.00 2.86 3.06 0.00 0.00 5.91 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 4 Y 8.66 5.29 0.00 3.03 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 5 R 9.90 4.78 0.00 1.83 2.04 0.00 2.75 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 6 K 7.88 4.05 0.00 1.22 1.36 0.00 1.44 0.00 0.00 1.55 0.00 0.00 2.44 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.21 7.81 7 A 8.62 4.11 1.15 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 0.00 0.00 8 D 9.50 4.33 0.00 2.64 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 0.00 0.00 0.00 *10 K 9.14 4.11 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.44 7.81 11 D 7.98 4.63 0.00 2.78 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 12 I 7.46 3.37 1.82 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 1.44 0.64 0.91 0.00 0.00 13 S 8.00 4.01 0.00 3.84 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 14 L 7.73 3.84 0.00 1.73 1.65 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.69 3.74 0.00 1.17 0.31 0.82 0.36 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 16 V 7.80 3.72 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 1.08 0.00 0.00 1.13 0.00 0.00 17 S 7.88 4.09 0.00 3.88 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 18 I 7.92 3.48 1.76 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 1.44 0.77 0.60 0.00 0.00 19 R 7.99 3.88 0.00 2.11 2.17 0.00 3.41 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 20 K 7.81 3.92 0.00 1.89 1.81 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.63 7.81 21 R 7.78 3.79 0.00 1.78 1.77 0.00 3.12 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 1.37 1.51 0.00 22 Q 8.02 4.01 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 23 L 8.08 3.98 0.00 1.70 1.69 0.90 1.19 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 24 I 7.73 4.01 2.02 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 1.53 1.60 0.92 0.00 0.00 25 D 8.08 4.44 0.00 3.01 2.83 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 26 E 8.02 4.33 0.00 2.15 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 2.36 2.55 0.00 27 G 8.26 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 0.00 0.00 0.00 28 I 7.48 4.28 2.00 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 1.41 0.79 0.90 0.00 0.00 29 E 8.54 4.32 0.00 1.95 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 0.00 2.30 2.32 0.00 30 P 0.00 4.61 0.00 2.03 2.00 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 31 N 7.77 5.00 0.00 2.69 2.80 0.00 0.00 7.04 7.45 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 32 I 7.20 4.33 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 1.29 0.28 0.90 0.00 0.00 33 D 8.59 4.44 0.00 2.64 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 34 I 7.96 4.47 1.85 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 1.65 1.12 0.89 0.00 0.00 35 D 8.07 4.37 0.00 2.95 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 36 K 7.95 4.02 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.54 7.81 37 E 8.07 3.95 0.00 2.22 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 2.39 2.46 0.00 38 L 8.55 4.11 0.00 1.81 1.95 0.98 0.77 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 39 T 7.91 4.06 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 1.26 0.00 0.00 40 R 7.98 3.87 0.00 1.93 2.18 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 41 Y 8.25 4.04 0.00 2.97 2.96 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 42 F 8.27 4.09 0.00 3.17 2.99 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 43 N 8.18 4.32 0.00 2.78 2.88 0.00 0.00 7.10 6.93 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 44 N 8.31 4.25 0.00 2.80 2.77 0.00 0.00 7.11 7.24 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 45 K 8.02 3.86 0.00 1.22 1.55 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.55 0.69 7.81 46 L 8.15 3.95 0.00 1.77 1.71 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.70 4.04 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 48 N 7.69 4.65 0.00 2.78 2.84 0.00 0.00 6.98 8.67 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 49 N 7.80 4.23 0.00 2.88 2.91 0.00 0.00 7.03 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 50 L 8.23 4.85 0.00 1.54 1.66 1.07 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.62 4.85 0.00 1.43 1.38 1.00 0.97 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 52 V 8.74 4.40 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 0.94 0.00 0.00 1.11 0.00 0.00 53 E 8.62 5.09 0.00 2.18 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 2.31 2.57 0.00 54 W 9.49 4.85 0.00 3.52 3.25 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 55 I 9.34 5.11 2.03 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 1.18 1.07 0.91 0.00 0.00 56 A 9.02 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.68 5.04 0.00 1.98 1.89 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 2.18 2.20 0.00 58 E 9.24 4.41 0.00 1.94 1.70 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 2.20 2.26 0.00 59 N 9.23 4.29 0.00 2.92 2.94 0.00 0.00 7.18 8.00 0.00 0.00 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 N 8.33 4.19 0.00 2.86 2.90 0.00 0.00 6.92 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 61 Q 7.53 4.49 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 62 I 8.30 4.24 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.06 0.93 0.00 0.00 63 I 9.01 4.42 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 1.11 0.86 0.86 0.00 0.00 64 A 7.68 5.29 1.22 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 0.00 0.00 65 T 8.75 5.35 4.51 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 1.28 0.00 0.00 66 A 8.69 4.81 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 67 A 9.13 5.36 1.37 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 0.00 0.00 68 I 8.79 4.87 1.88 0.00 0.00 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 0.92 1.80 0.90 0.00 0.00 69 A 9.01 4.77 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 70 F 8.48 5.36 0.00 3.00 2.99 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 71 I 8.89 4.45 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 0.27 0.00 0.00 72 D 8.44 4.92 0.00 2.45 2.57 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 0.00 0.00 0.00 0.00 73 F 8.82 4.93 0.00 3.16 2.93 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 74 P 0.00 4.61 0.00 1.94 2.01 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 75 P 0.00 4.60 0.00 1.88 2.28 0.00 3.64 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 2.03 2.22 0.00 76 T 8.14 4.41 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 1.23 0.00 0.00 77 Y 8.12 4.30 0.00 3.06 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 78 T 7.83 4.45 4.29 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 1.28 0.00 0.00 79 N 8.21 4.96 0.00 2.77 2.70 0.00 0.00 6.72 6.63 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 80 K 8.67 3.85 0.00 1.80 1.91 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 81 T 7.95 4.15 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 1.24 0.00 0.00 82 G 8.32 4.38 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 0.00 83 R 7.48 4.86 0.00 1.72 1.95 0.00 3.12 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.64 0.00 84 K 9.42 5.00 0.00 2.10 1.91 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.63 7.81 85 G 9.06 4.38 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 0.00 86 Y 9.38 5.29 0.00 3.08 2.85 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 0.00 0.00 0.00 87 I 7.94 4.41 1.52 0.00 0.00 0.88 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 0.63 0.62 0.00 0.00 88 T 8.88 3.96 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 1.25 0.00 0.00 89 N 8.68 5.01 0.00 2.99 2.95 0.00 0.00 7.18 7.46 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 *91 Y 8.02 4.56 0.00 3.10 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 92 T 7.65 4.74 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 1.10 0.00 0.00 93 E 8.57 3.65 0.00 2.03 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 2.33 2.16 0.00 94 P 0.00 4.12 0.00 2.18 2.15 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 95 T 7.85 4.14 4.22 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 1.20 0.00 0.00 96 S 7.90 4.64 0.00 3.75 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 97 R 7.64 3.95 0.00 1.86 1.79 0.00 3.12 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 98 G 8.80 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.16 4.77 0.00 2.68 2.80 0.00 0.00 7.17 7.65 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 0.00 100 G 8.19 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 0.00 0.00 0.00 101 I 7.82 3.68 1.87 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 1.42 0.59 0.98 0.00 0.00 102 A 7.95 4.15 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 0.00 103 T 8.04 4.02 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 1.32 0.00 0.00 104 G 8.12 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 *106 L 8.13 4.13 0.00 1.78 1.08 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.76 4.48 0.00 2.78 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 0.00 108 R 7.66 3.71 0.00 1.31 0.94 0.00 2.26 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.38 0.00 109 L 7.75 4.13 0.00 1.85 1.77 0.94 1.01 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 0.00 110 V 8.21 3.68 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 1.08 0.00 0.00 1.15 0.00 0.00 111 N 8.26 4.34 0.00 2.91 3.04 0.00 0.00 7.23 7.66 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 0.00 112 E 8.38 4.15 0.00 2.49 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 2.93 2.85 0.00 113 A 8.21 4.13 1.59 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 0.00 0.00 114 K 8.21 3.92 0.00 2.03 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.68 7.81 115 E 8.26 4.12 0.00 2.14 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 2.38 2.54 0.00 116 R 6.91 4.40 0.00 1.29 1.58 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.00 117 N 8.06 4.22 0.00 2.85 2.91 0.00 0.00 6.71 7.09 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 0.00 118 I 8.01 4.56 2.09 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 1.39 0.72 1.05 0.00 0.00 119 H 8.83 4.86 0.00 3.21 3.39 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.85 4.57 0.00 1.69 1.80 0.00 1.49 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.51 7.81 121 I 8.47 5.27 1.91 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 1.52 0.68 1.15 0.00 0.00 122 C 9.16 5.29 0.00 2.94 3.13 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 0.00 123 L 7.99 4.20 0.00 0.99 1.15 0.29 -1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.88 4.05 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 0.78 0.00 0.00 0.85 0.00 0.00 125 A 8.38 4.32 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 0.00 126 S 8.44 4.61 0.00 4.03 4.05 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 0.00 127 K 8.67 3.90 0.00 1.76 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 128 L 7.83 4.18 0.00 1.59 1.65 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.91 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 0.00 0.00 0.00 130 R 7.86 3.97 0.00 2.07 1.94 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 131 P 0.00 4.20 0.00 2.09 2.04 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 132 V 7.28 3.51 1.48 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 0.95 0.00 0.00 0.71 0.00 0.00 133 Y 7.18 4.42 0.00 2.97 2.43 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 0.00 134 K 8.30 4.22 0.00 1.96 1.93 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.78 1.64 7.81 135 K 7.77 3.90 0.00 1.81 2.07 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 136 Y 7.90 4.21 0.00 3.39 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 0.00 137 G 7.89 3.64 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 0.00 0.00 0.00 138 F 8.66 4.12 0.00 3.22 3.10 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 0.00 139 Q 8.49 4.73 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 140 D 8.64 4.59 0.00 2.72 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 0.00 141 T 8.11 4.53 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 1.66 0.00 0.00 142 D 8.75 4.87 0.00 2.65 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 0.00 143 E 8.33 4.17 0.00 1.98 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 0.00 2.22 2.34 0.00 144 W 8.17 4.30 0.00 3.29 3.21 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 0.00 145 L 8.44 5.00 0.00 1.60 1.56 0.92 0.93 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 0.00 146 E 8.68 4.78 0.00 1.95 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 2.37 2.38 0.00 147 L 8.55 4.65 0.00 1.57 1.54 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.49 4.83 0.00 2.73 2.63 0.00 0.00 7.23 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 0.00 149 L 8.47 4.18 0.00 1.69 1.74 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.20 4.25 0.00 1.70 1.73 0.92 0.80 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 0.00 151 E 8.24 3.99 0.00 1.88 1.68 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 2.24 2.18 0.00 152 H 7.93 4.77 0.00 3.10 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.79 4.89 0.00 2.95 3.04 0.00 5.88 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 H 8.48 4.56 0.00 3.24 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.