NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5160 8.2233 120.1889 54.6648 42.3327 175.1603 4 D 4.6158 8.9289 118.2827 52.4947 38.5157 172.3661 5 S 3.2966 6.5215 110.4369 57.4631 66.4548 175.7279 6 C 4.3495 8.1339 123.1084 55.9058 42.5630 172.3410 7 Q 4.5467 8.2256 126.0030 53.8191 30.4474 175.6655 8 I 4.1808 5.9091 122.5260 58.6659 40.6636 175.5547 9 G 3.8958 8.5044 113.6504 45.7396 0.0000 172.4739 10 T 4.5437 7.7735 115.2113 61.8829 69.4459 172.7312 11 S 4.6478 8.7337 121.4452 58.0968 63.7252 173.7268 12 F 4.7890 8.2809 122.2617 58.6485 40.5986 173.8170 13 T 4.3483 6.9076 112.3795 62.1736 70.6025 173.1225 14 G 3.7895 9.5473 108.3661 45.8572 0.0000 173.6865 15 L 4.3219 7.8859 121.5219 55.2228 42.4973 175.6865 16 D 5.0513 9.1200 124.0330 52.9847 44.5765 175.5997 *18 T 4.0519 8.2490 115.1160 63.4752 70.1062 176.0537 19 K 4.1614 8.5078 118.6057 57.3923 32.1635 176.6971 20 Y 4.5697 7.6896 118.9020 57.1757 39.1522 175.4214 21 V 3.7255 7.0583 118.3243 64.8129 32.1834 174.1310 22 G 3.5566 8.5721 108.7644 44.1745 0.0000 172.0272 23 T 4.9027 8.1518 116.2965 61.5980 70.9296 173.5223 24 W 4.7087 8.9586 127.8664 55.0106 31.4487 175.0627 25 Y 4.8680 9.5220 124.4658 57.2540 39.1573 174.7041 26 E 4.7498 9.4396 126.2495 56.1002 29.3508 175.7896 27 L 4.3095 9.0167 128.5048 56.2795 43.5335 176.9124 28 F 5.4221 8.2345 115.5217 56.2809 43.7573 173.7355 29 R 5.2002 8.6287 115.7113 55.4375 32.5547 174.7574 30 T 4.1099 8.2426 118.3839 62.6971 68.8878 173.1561 31 P 4.3541 0.0000 0.0000 63.0637 31.9998 175.2210 32 N 4.6811 8.1819 117.2485 51.6671 39.4566 173.7759 33 S 4.6635 8.4242 113.1732 60.2681 62.8809 173.3567 34 D 4.6571 8.2811 128.7981 53.8503 37.9932 175.3990 35 E 5.1811 8.3678 134.0749 56.5422 30.1231 177.4643 36 E 4.0023 8.6086 120.4158 60.4948 29.3272 178.7225 37 D 4.0263 7.1838 116.7703 56.4774 41.1969 176.1889 38 F 4.3121 6.0355 117.1822 57.7941 38.8300 174.8955 39 T 4.6760 8.4552 116.8343 62.6565 72.6584 174.2622 40 N 4.7233 8.0425 116.3241 53.0004 40.2144 175.2885 41 C 5.3324 7.8141 115.4635 56.0542 45.3620 172.3831 42 E 4.9878 10.5430 129.7335 55.8000 32.1726 173.1709 43 Y 5.4395 8.3755 124.9491 55.7152 42.2669 173.4984 44 D 5.4737 9.2833 120.1801 52.4473 44.4499 174.9722 45 K 4.9746 9.0978 124.0267 54.8504 35.0862 174.0280 46 Y 5.1532 9.8771 126.1121 56.6911 40.0032 174.8984 47 T 4.8469 9.3155 120.5283 61.6411 72.7978 172.7410 48 L 4.8575 8.5716 128.2558 53.6278 42.8111 175.9207 49 D 4.7041 9.0809 127.4333 53.8509 41.5341 177.4828 50 E 4.2124 8.6247 119.3007 58.2338 29.6602 177.4347 51 N 4.7471 8.1899 115.7784 52.4515 37.5505 176.1963 52 G 4.0539 7.9417 108.9225 45.9509 0.0000 174.8539 53 V 3.8128 7.3705 120.2523 63.1870 32.8128 174.8755 54 I 4.7287 8.5811 128.5377 60.4211 38.8702 174.1985 55 Q 5.1183 10.0813 129.6140 54.2757 31.6477 174.4391 56 V 4.5850 9.6459 125.4279 60.0403 34.6670 174.3257 57 T 4.9171 8.9053 121.4522 61.7047 71.4145 172.8425 58 S 4.7151 9.3458 123.0655 56.9615 64.2332 172.8065 59 V 4.5743 8.3029 126.6318 60.8384 34.2169 174.0349 60 A 4.8153 8.6483 129.0358 50.3148 22.3836 174.2510 61 Y 4.0704 8.9067 125.0172 56.5000 38.7458 175.3247 62 T 4.0775 7.7532 122.9969 63.5399 69.6769 175.6709 63 N 4.0948 8.2737 120.7577 55.3070 39.9999 176.8148 64 S 4.3957 7.5972 112.3304 56.3118 62.0029 174.3445 65 I 4.7544 8.0858 130.4780 63.1062 39.7368 173.5195 66 R 4.1027 7.0136 115.5875 57.0330 28.5629 174.4367 67 G 4.4063 7.1824 105.6331 46.2110 0.0000 171.5119 68 F 5.2719 9.1200 117.3180 55.8085 42.7252 174.6772 69 I 4.3945 9.1455 124.4535 60.2783 38.8951 174.7584 70 T 4.9009 8.5602 123.3464 61.8124 70.8669 173.3592 71 S 4.8053 9.2188 121.2830 56.7318 66.0580 172.7482 72 T 5.1367 8.2362 120.6567 62.2219 71.9656 172.8521 73 G 4.2590 9.0724 109.1497 46.0884 0.0000 172.2650 74 T 4.8155 8.3126 110.4618 59.8080 71.5730 174.0373 75 V 5.2452 8.8125 124.0180 58.8272 31.1568 174.6348 76 P 4.3747 0.0000 0.0000 65.4012 31.7818 176.3076 77 S 4.5430 7.1411 113.5340 57.4647 65.8934 173.5861 78 W 4.7012 7.9118 113.1547 56.5957 29.5694 174.7791 79 T 4.4772 8.0176 121.2421 62.6297 70.4105 174.6516 80 E 4.2112 8.8414 121.6255 60.1370 29.9068 178.8842 81 D 5.2773 7.4930 115.5802 51.5737 39.7379 174.9560 82 T 4.8995 7.9570 114.5739 63.3372 73.5454 173.4076 83 F 5.3933 8.8951 119.0924 55.6008 41.8992 173.1720 84 D 5.5117 8.9477 120.0412 52.8719 44.0206 175.1886 85 I 5.1154 8.6088 120.5003 59.5801 40.7583 174.5553 86 A 4.2080 9.0910 127.3930 50.9477 22.2184 176.1170 87 Y 3.9937 7.4869 115.5694 59.2616 35.1591 174.4932 *94 S 4.3875 7.4865 117.2429 56.8993 65.5472 173.4831 95 S 4.7733 7.9914 114.5321 57.0693 65.7125 172.5714 96 T 4.8757 8.0189 118.1219 61.9816 70.7664 173.1740 97 Y 4.6772 8.1487 122.4944 55.7997 41.7191 174.8389 98 F 4.7730 9.2812 124.1846 57.6628 40.7946 178.4026 *100 V 4.0399 8.0273 122.2317 63.2834 33.6216 176.5097 101 G 3.9454 7.3299 105.9340 45.9933 0.0000 172.4599 102 T 3.8938 7.6847 117.7322 60.5947 70.2468 172.4804 103 D 4.9460 7.1396 122.2248 52.5573 39.7336 175.8712 104 Y 3.9047 7.6730 114.1846 59.3111 36.8043 170.9350 105 Q 4.7276 8.7273 115.9207 54.2507 31.5034 173.5764 106 T 4.4942 8.0074 122.6883 62.5758 70.2302 171.5808 107 Y 5.5382 7.4997 117.5527 56.0908 42.3257 174.6125 108 S 4.0522 9.0313 114.5947 57.8633 65.0843 172.8003 109 I 4.8094 9.1052 129.6430 59.6935 38.9532 174.5603 110 V 4.8889 8.4255 129.5611 61.6590 34.6538 174.1239 111 A 4.9013 8.7744 124.1289 51.4831 22.7882 176.0968 112 G 3.9318 8.5301 106.9541 46.1379 0.0000 170.8988 113 C 5.7284 8.8454 117.9251 55.0376 40.5013 172.9719 114 L 4.9501 7.7949 119.1620 54.2801 45.2886 175.8867 115 D 4.5325 8.4412 122.9057 56.1578 38.5325 174.9359 116 N 4.2306 8.5757 125.1537 53.9809 38.8381 175.2540 117 D 4.5019 7.2620 120.7339 53.4406 39.3760 176.0727 118 Y 4.4704 7.4113 119.0519 59.4993 38.8023 177.3375 119 S 4.1355 8.1637 114.3616 60.5343 62.7015 173.7713 120 R 4.3568 7.5005 120.7300 55.2362 30.0002 175.1071 121 H 4.9090 8.5687 122.7020 55.1464 30.5823 174.8472 122 L 4.5418 8.4606 120.7855 53.0638 45.1988 175.0712 123 Y 4.7056 8.4862 121.0129 55.8784 41.0260 174.8195 124 W 5.2854 9.2073 122.7173 55.1491 32.7972 174.2511 125 I 4.9760 9.0915 126.1615 59.9662 38.8369 174.9594 126 A 5.5946 9.0809 127.5509 50.8168 23.0088 174.1924 127 S 5.3042 9.2699 112.2091 58.2570 65.9618 175.1288 128 H 3.9172 8.6700 119.5376 57.2433 28.9591 175.9919 129 E 4.4998 7.9988 118.2704 55.9956 30.9515 176.7257 130 T 4.4519 7.9077 109.9503 61.1139 69.0344 173.6163 131 S 4.4241 7.3610 113.4492 58.4546 64.7519 175.5374 132 F 5.2464 8.6833 120.6950 56.2629 40.3923 175.6169 133 D 4.8430 8.5972 123.6411 52.4253 40.6451 176.9669 134 D 4.4136 8.9235 120.7092 58.0732 40.7971 178.9531 135 A 4.0428 8.0529 120.8192 55.4908 18.3370 179.0648 136 T 3.5921 9.2320 113.1442 66.8827 68.6773 176.9774 137 K 3.7703 7.7638 119.6020 59.3926 32.1940 178.4775 138 A 3.8545 7.6073 121.0292 55.2155 18.2757 179.5480 139 K 3.6614 7.9736 117.9613 59.6649 32.1646 179.0206 140 V 3.4664 7.3236 117.8244 65.9969 31.1822 177.2855 141 N 4.3446 8.0000 115.7228 55.2864 38.3205 177.0777 142 E 3.8496 7.8218 120.4751 59.1353 29.7731 178.7821 143 V 3.8069 7.9436 117.5864 66.0599 32.0301 177.8145 144 L 4.2209 8.4130 118.8085 57.6960 41.2167 178.8433 145 A 3.8044 8.1511 120.6367 54.9884 18.0760 177.7769 146 P 3.3059 0.0000 0.0000 65.0714 31.6153 176.8113 147 Y 4.3868 7.7212 113.8850 57.0863 38.8625 174.6553 148 N 4.1966 9.0079 116.7513 54.1400 35.5624 173.5562 149 L 4.7903 7.3185 115.2641 53.3613 46.4430 176.2269 150 S 4.5510 7.9557 112.8809 56.5713 65.3108 174.7090 151 L 3.6728 8.5977 126.5884 57.4720 41.7723 177.3462 152 D 4.9507 7.5884 116.2317 53.2271 39.4500 175.9763 153 D 4.6479 8.0573 117.4738 54.6341 41.5670 175.1729 *155 E 4.2612 8.0649 118.4351 54.6689 30.7034 173.1804 156 P 4.4304 0.0000 0.0000 62.6824 32.5390 175.8433 157 V 4.3643 7.9474 121.1737 61.2510 33.8156 174.9267 158 D 4.5682 8.3368 127.2867 54.2391 41.9373 176.6766 159 Q 4.6332 8.5610 120.5107 54.4421 29.8820 174.3909 160 S 4.4830 9.6887 116.9325 60.0727 65.0270 176.7130 161 Y 4.2823 8.5852 115.7565 58.6330 37.5369 179.0692 162 C 4.7279 9.2942 121.7981 59.9802 40.4385 176.3398 163 V 3.7132 7.8106 117.6775 63.8578 31.5923 177.3433 164 Q 4.0735 7.7758 118.8500 58.7291 28.8187 175.7377 165 Y 3.1448 7.3394 121.3908 57.4910 38.5519 175.8220 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 D 8.22 4.52 0.00 2.81 2.64 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 4 D 8.93 4.62 0.00 2.93 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 5 S 6.52 3.30 0.00 3.69 3.53 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 0.00 6 C 8.13 4.35 0.00 3.00 3.06 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 0.00 0.00 0.00 7 Q 8.23 4.55 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 8 I 5.91 4.18 0.66 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.16 0.44 0.00 0.00 9 G 8.50 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 10 T 7.77 4.54 4.30 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 1.54 0.00 0.00 11 S 8.73 4.65 0.00 4.05 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 12 F 8.28 4.79 0.00 3.16 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 13 T 6.91 4.35 4.17 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 1.21 0.00 0.00 14 G 9.55 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 15 L 7.89 4.32 0.00 2.02 2.01 0.86 0.99 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 16 D 9.12 5.05 0.00 2.80 2.31 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 *18 T 8.25 4.05 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 1.27 0.00 0.00 19 K 8.51 4.16 0.00 1.11 1.22 0.00 1.05 0.00 0.00 1.03 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.34 7.81 20 Y 7.69 4.57 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.06 3.73 2.23 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 0.83 0.00 0.00 1.02 0.00 0.00 22 G 8.57 3.56 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 0.00 0.00 0.00 23 T 8.15 4.90 3.78 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 0.21 0.00 0.00 24 W 8.96 4.71 0.00 3.22 3.06 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 0.00 0.00 0.00 25 Y 9.52 4.87 0.00 2.94 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 26 E 9.44 4.75 0.00 2.08 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 0.00 2.50 2.56 0.00 27 L 9.02 4.31 0.00 1.71 1.36 0.25 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.23 5.42 0.00 3.10 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 29 R 8.63 5.20 0.00 1.99 2.30 0.00 3.20 0.00 0.00 3.65 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 30 T 8.24 4.11 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 1.16 0.00 0.00 31 P 0.00 4.35 0.00 2.04 2.00 0.00 3.71 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 2.04 2.11 0.00 32 N 8.18 4.68 0.00 2.81 2.75 0.00 0.00 6.14 7.64 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 33 S 8.42 4.66 0.00 4.00 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 34 D 8.28 4.66 0.00 2.85 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 35 E 8.37 5.18 0.00 2.27 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 2.28 2.41 0.00 36 E 8.61 4.00 0.00 2.00 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 2.26 2.46 0.00 37 D 7.18 4.03 0.00 1.91 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 0.00 0.00 0.00 0.00 38 F 6.04 4.31 0.00 3.03 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 39 T 8.46 4.68 4.27 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 1.14 0.00 0.00 40 N 8.04 4.72 0.00 2.15 1.89 0.00 0.00 6.63 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 41 C 7.81 5.33 0.00 3.13 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 42 E 10.54 4.99 0.00 1.92 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 2.13 2.14 0.00 43 Y 8.38 5.44 0.00 3.01 3.34 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 44 D 9.28 5.47 0.00 2.73 2.46 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 45 K 9.10 4.97 0.00 1.63 1.61 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.33 7.81 46 Y 9.88 5.15 0.00 2.99 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 47 T 9.32 4.85 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 1.28 0.00 0.00 48 L 8.57 4.86 0.00 1.69 1.63 1.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 D 9.08 4.70 0.00 2.93 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 E 8.62 4.21 0.00 1.97 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 2.33 2.31 0.00 51 N 8.19 4.75 0.00 2.84 2.91 0.00 0.00 6.17 7.00 0.00 0.00 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 G 7.94 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 0.00 0.00 0.00 53 V 7.37 3.81 2.28 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 1.09 0.00 0.00 0.99 0.00 0.00 54 I 8.58 4.73 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 1.06 0.00 0.00 55 Q 10.08 5.12 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 56 V 9.65 4.59 1.63 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 0.67 0.00 0.00 -0.35 0.00 0.00 57 T 8.91 4.92 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 1.23 0.00 0.00 58 S 9.35 4.72 0.00 3.81 3.58 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 59 V 8.30 4.57 0.99 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 -0.02 0.00 0.00 0.46 0.00 0.00 60 A 8.65 4.82 0.41 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 61 Y 8.91 4.07 0.00 2.25 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 62 T 7.75 4.08 4.07 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 1.16 0.00 0.00 63 N 8.27 4.09 0.00 2.59 2.72 0.00 0.00 6.66 7.70 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 64 S 7.60 4.40 0.00 3.92 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 65 I 8.09 4.75 1.82 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 1.48 0.58 0.91 0.00 0.00 66 R 7.01 4.10 0.00 2.27 2.43 0.00 3.25 0.00 0.00 3.11 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 67 G 7.18 4.41 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 68 F 9.12 5.27 0.00 3.06 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 69 I 9.15 4.39 1.64 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 1.31 0.97 0.90 0.00 0.00 70 T 8.56 4.90 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 1.28 0.00 0.00 71 S 9.22 4.81 0.00 3.77 3.56 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 72 T 8.24 5.14 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 1.28 0.00 0.00 73 G 9.07 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 0.00 0.00 0.00 0.00 74 T 8.31 4.82 4.32 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 1.29 0.00 0.00 75 V 8.81 5.25 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 1.19 0.00 0.00 76 P 0.00 4.37 0.00 2.22 2.24 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 77 S 7.14 4.54 0.00 4.15 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 78 W 7.91 4.70 0.00 3.53 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 79 T 8.02 4.48 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 1.23 0.00 0.00 80 E 8.84 4.21 0.00 2.08 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 2.40 2.38 0.00 81 D 7.49 5.28 0.00 3.12 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 82 T 7.96 4.90 4.15 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 0.99 0.00 0.00 83 F 8.90 5.39 0.00 2.95 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 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0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.04 2.28 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 1.04 0.00 0.00 0.81 0.00 0.00 101 G 7.33 3.95 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 0.00 102 T 7.68 3.89 3.52 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 0.22 0.00 0.00 103 D 7.14 4.95 0.00 3.06 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 0.00 104 Y 7.67 3.90 0.00 3.22 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 0.00 105 Q 8.73 4.73 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 106 T 8.01 4.49 4.50 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 1.71 0.00 0.00 107 Y 7.50 5.54 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.35 0.00 0.00 141 N 8.00 4.34 0.00 2.92 2.77 0.00 0.00 6.58 7.70 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 0.00 142 E 7.82 3.85 0.00 2.06 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 2.29 2.28 0.00 143 V 7.94 3.81 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 1.05 0.00 0.00 1.02 0.00 0.00 144 L 8.41 4.22 0.00 1.79 1.85 0.74 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.15 3.80 1.35 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 0.00 0.00 0.00 146 P 0.00 3.31 0.00 1.27 1.79 0.00 3.70 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 1.92 2.01 0.00 147 Y 7.72 4.39 0.00 2.97 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 0.00 148 N 9.01 4.20 0.00 2.76 2.91 0.00 0.00 6.68 7.73 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 0.00 149 L 7.32 4.79 0.00 1.39 1.31 0.66 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.96 4.55 0.00 3.74 3.58 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 0.00 151 L 8.60 3.67 0.00 1.71 1.49 0.38 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.59 4.95 0.00 2.86 2.75 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 0.00 0.00 0.00 0.00 153 D 8.06 4.65 0.00 2.66 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 *155 E 8.06 4.26 0.00 2.16 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 2.29 2.33 0.00 156 P 0.00 4.43 0.00 1.86 1.80 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 157 V 7.95 4.36 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 0.88 0.00 0.00 0.98 0.00 0.00 158 D 8.34 4.57 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 8.56 4.63 0.00 1.66 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 160 S 9.69 4.48 0.00 3.98 4.07 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 0.00 161 Y 8.59 4.28 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 C 9.29 4.73 0.00 3.04 3.36 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 0.00 0.00 0.00 0.00 163 V 7.81 3.71 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 0.72 0.00 0.00 0.95 0.00 0.00 164 Q 7.78 4.07 0.00 2.63 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 165 Y 7.34 3.14 0.00 2.36 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 * Residues marked with a * may have inaccurate shift predictions.