NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2664 8.1593 117.3739 63.5785 69.5558 173.7612 2 S 4.5429 8.1471 121.1307 55.3128 66.8602 173.5085 3 K 3.8869 9.1749 123.0794 59.7214 32.2543 179.4949 4 K 3.8600 7.4713 118.3790 59.6859 31.8114 179.0620 5 K 3.9429 7.4716 116.9454 59.4682 32.1691 178.2679 6 R 4.1911 7.5840 115.4075 57.3885 30.5919 178.1755 7 Q 4.1874 8.0446 119.0572 57.5256 28.3806 175.6939 8 R 3.9213 7.6760 118.4016 59.9744 29.8566 176.1199 9 G 4.0552 8.8908 110.6785 45.4810 0.0000 173.7681 10 S 4.1961 8.0333 113.6428 58.2419 63.2148 173.5197 11 R 4.0794 7.6498 123.4814 57.5554 29.4472 176.4744 12 T 4.1789 7.5510 105.7518 61.9428 69.7523 174.2774 13 H 4.5845 8.2529 118.2018 56.0002 26.8663 175.4707 14 G 3.8783 8.4569 103.1336 46.3500 0.0000 174.7485 15 G 3.9326 8.1872 106.4853 44.5196 0.0000 176.6602 16 G 3.7802 7.8478 106.9094 45.2650 0.0000 174.0020 17 S 4.1300 8.6418 116.7140 58.9696 62.6264 175.0543 18 H 4.4150 8.8274 121.0849 57.1329 28.4087 175.8309 19 K 4.0965 7.9123 119.3032 56.8923 31.8129 177.4624 20 N 4.4016 7.6701 117.5089 55.6771 39.2141 177.2390 21 R 4.3800 7.4409 120.0270 56.5225 28.8867 177.3441 22 R 4.4871 7.4644 121.7423 56.1970 30.8719 180.3519 23 G 4.0359 8.5727 122.0886 45.4568 0.0000 173.3033 24 A 4.2332 8.6535 120.0694 54.5440 18.2139 180.0838 25 G 3.6850 8.0743 104.2241 47.9200 0.0000 174.8853 26 H 4.5160 8.1466 118.6173 57.7493 29.9959 176.2693 27 R 4.4932 8.0466 118.0592 54.9039 31.1244 175.5668 28 G 3.8242 8.8967 106.9087 47.0077 0.0000 174.4270 29 G 4.0559 8.3253 104.7049 44.2235 0.0000 173.8930 30 R 4.1050 8.4413 121.0520 56.3640 31.6686 176.9487 31 G 3.7268 8.4249 113.8250 47.3793 0.0000 174.2584 32 D 4.8224 8.6401 123.5317 54.2194 40.5359 175.6280 33 A 4.0365 7.4263 122.6256 53.9395 18.7842 178.8809 34 G 3.7432 8.9424 108.8519 45.8874 0.0000 175.5335 35 R 3.9033 7.7060 117.1332 57.6847 29.2510 177.3442 36 D 5.0234 7.9289 115.7644 52.7335 42.1309 175.8375 37 K 4.3411 8.7448 117.6028 57.1604 32.6594 177.0155 38 H 4.5412 9.5204 125.4520 58.1528 29.6295 176.1442 39 E 4.6885 7.5413 119.9712 55.6761 30.4425 177.1083 40 F 5.0064 8.1818 115.4097 59.4776 38.3100 175.3998 41 H 3.7780 6.5924 116.3396 57.4377 29.2491 174.3380 42 N 4.2460 8.8885 118.9865 54.6172 35.9757 174.2651 43 H 4.8842 7.7681 111.8371 53.7209 33.2001 174.1019 44 E 4.1597 8.7641 123.4946 55.3515 30.0025 175.2782 45 P 4.4041 0.0000 0.0000 62.5479 31.8443 176.1770 46 L 4.0706 8.2120 119.6825 55.2592 42.1636 175.8241 47 G 4.2614 8.0657 105.2762 43.5634 0.0000 173.4419 48 K 4.5619 8.0775 119.6603 54.8810 34.1297 176.7182 49 S 4.3233 8.4363 115.5711 58.2274 65.0392 175.3597 50 G 4.0066 9.1197 118.7746 45.1422 0.0000 171.3316 51 F 5.0114 8.3199 113.0691 55.4241 41.1258 173.3464 52 K 4.2726 8.3517 119.0506 54.4336 35.1613 176.3826 53 R 4.5553 8.0807 121.2651 53.9992 31.6463 174.7749 54 P 4.2947 0.0000 0.0000 63.2236 31.7773 176.8593 55 Q 3.9520 9.0726 121.3927 59.2536 28.6932 178.9220 56 K 4.5332 7.9418 113.7720 57.1320 32.5552 177.0999 57 V 4.3566 7.8050 116.0150 63.0148 32.5190 174.9805 58 Q 4.5997 7.6888 117.4654 54.8903 30.2372 174.6860 59 E 4.4718 8.5810 120.6970 54.4917 31.6844 174.9897 60 E 4.4013 8.4624 124.8849 54.4289 31.0388 174.4068 61 A 3.9576 8.2331 129.1987 51.1614 19.9592 176.2129 62 A 4.4786 8.9785 124.8142 50.9753 20.1133 176.4130 63 T 5.5749 8.2703 112.1609 60.0113 71.6579 173.7510 64 I 4.5919 7.8729 121.4112 59.9901 41.9083 173.0352 65 D 5.1363 8.6317 127.7463 53.4528 42.4395 177.6365 66 V 3.6028 8.7888 116.9191 64.9274 31.5646 178.7930 67 R 3.8596 7.6774 118.2019 59.7837 29.5678 177.9407 68 E 3.9068 8.0590 117.4095 59.6059 29.8628 178.2734 69 I 3.7142 7.7772 119.4468 64.0998 36.7736 177.2490 70 D 4.3662 8.7413 118.8023 57.9135 40.9837 178.7888 71 E 4.2225 8.3213 116.3874 58.0542 29.5055 177.1855 72 N 4.9550 8.0754 115.3208 52.6089 40.5252 176.2473 73 V 3.3138 7.3816 113.4350 64.8815 31.8020 178.5359 74 T 3.8034 7.6609 107.9707 64.8601 68.3315 175.3975 75 L 4.0871 7.4517 120.2436 56.2526 42.2129 177.3647 76 L 4.4643 7.7791 121.5441 53.4431 41.0848 177.9755 77 A 3.9902 7.9424 122.0572 55.1659 18.8426 177.9391 78 A 4.5444 7.7472 117.5729 52.2361 19.1551 177.0001 79 D 4.7172 8.1395 120.0528 55.7513 45.4546 175.4564 80 D 4.2891 7.6973 121.6998 49.6802 41.6978 175.7291 81 V 4.5889 8.3728 122.3683 60.9848 34.0257 174.6623 82 A 4.2178 8.0831 131.6501 50.8219 20.6430 177.0339 83 E 3.8118 8.9285 112.8864 60.1598 29.8263 177.2897 *89 F 4.5394 7.7238 117.5031 57.3719 41.0983 173.8117 90 R 5.2265 8.7337 120.3414 54.7522 32.6174 174.8589 91 V 4.5082 8.8740 125.6315 59.9906 35.2779 174.3571 92 D 4.7256 8.7276 123.8369 53.1157 41.1435 176.4635 93 V 3.5824 8.4613 127.2072 66.3495 31.6094 178.4038 94 R 3.5428 7.6057 117.3556 59.1628 29.8957 177.6255 95 D 4.6584 8.1175 116.3330 54.6659 41.3100 177.9538 96 V 4.0515 8.4141 119.7748 63.7252 32.3185 176.1190 97 V 3.5658 7.2920 117.3846 63.0195 30.3031 175.5866 98 E 4.1608 8.6045 126.4122 57.1955 30.1350 176.5369 99 E 3.9626 8.6869 116.9790 57.7289 26.6297 174.8913 100 A 4.4540 7.4503 118.8880 52.4986 18.9268 178.1045 101 D 4.7627 7.8619 116.6694 57.0644 42.7482 178.0184 102 D 4.4952 8.0744 113.7947 53.6635 39.2744 175.4447 103 A 4.6220 7.3528 122.1483 50.8062 20.7404 177.4918 104 D 4.5032 8.6019 120.2640 54.9017 41.8853 176.0597 105 Y 5.0854 6.7862 121.1976 57.3814 39.9406 171.5507 106 V 4.6713 9.1099 122.2032 61.7976 33.6218 174.5699 107 K 4.8597 9.4403 128.6452 54.6089 35.5290 174.7402 108 V 4.5491 8.3568 127.6042 61.8406 33.1700 174.5540 109 L 4.7677 9.4754 128.3318 52.6417 44.7003 176.6103 110 G 4.1169 8.3793 110.4128 44.9896 0.0000 172.2147 111 A 4.6295 8.0417 122.4901 52.0129 22.0728 176.5367 112 G 3.8316 8.9808 109.6196 44.4150 0.0000 172.0249 113 Q 4.5199 8.2317 118.0366 54.2353 31.2037 175.6239 114 V 4.3716 7.8670 117.5466 61.8008 32.2794 174.2003 115 R 4.5176 8.6245 125.7125 55.9638 30.1485 176.0807 116 H 5.1739 7.6800 113.5502 54.3244 33.4010 172.9598 117 E 4.6459 8.8424 118.4710 55.1876 30.2313 175.6212 118 L 5.0717 8.5790 124.5494 53.1035 45.4571 175.9070 119 T 4.9192 9.3513 120.8082 62.2266 69.9361 173.0327 120 L 5.2098 8.9874 127.5629 53.0116 44.7201 176.0368 121 I 5.4947 8.7832 122.7824 58.8844 40.0102 174.4492 122 A 4.8847 8.7650 127.5195 50.1422 22.1311 176.2380 123 D 4.3913 8.6856 118.7681 57.4942 42.0749 176.0544 124 D 4.6507 7.6501 115.3932 53.2809 45.0763 174.2532 125 F 5.4926 8.9547 120.1448 54.8013 43.5333 174.0383 126 S 4.7164 8.5973 114.6025 56.8755 65.8207 174.3993 127 E 4.0157 9.2104 119.5886 60.1473 29.1332 179.7695 128 G 3.8371 8.2618 104.3283 48.0253 0.0000 175.0536 129 A 4.0342 7.7271 122.4193 55.7318 18.4335 179.2805 130 R 3.7577 8.3639 116.4296 59.2362 30.0064 178.9661 131 E 3.8221 8.5305 117.2677 59.8456 29.3907 179.8370 132 K 3.8495 8.2170 117.9778 59.8115 32.3578 179.5739 133 V 3.5669 7.8268 118.1033 66.0263 31.3969 177.9851 134 E 4.7234 8.0018 120.0994 58.8542 29.2128 179.1378 135 G 3.8385 8.5971 102.6488 45.9515 0.0000 173.5094 136 A 4.6208 7.3954 123.5554 51.4536 19.6487 176.6860 137 G 3.6045 8.4394 105.1482 48.5073 0.0000 173.3069 138 G 4.4756 7.7376 105.1969 44.0137 0.0000 172.4987 139 S 4.9798 9.2965 112.9808 56.5359 66.9598 173.4585 140 V 4.4797 8.1607 120.5549 61.2587 33.6069 174.2215 141 E 4.5892 9.6023 129.2615 54.6152 31.5676 174.9637 142 L 4.9885 8.4648 127.0526 54.3389 43.2715 176.4422 143 T 4.0769 8.5612 123.0771 63.8240 69.5490 175.1565 144 D 4.3560 8.8062 122.3015 57.5180 41.1881 179.0136 145 L 3.9419 8.0611 119.8821 57.9637 42.1461 178.1574 146 G 3.8101 7.6740 105.7557 47.0554 0.0000 173.5702 147 E 4.3787 8.0764 120.9923 57.0694 29.2561 176.6066 148 E 4.7747 7.8605 112.9964 56.5626 30.5845 178.3109 149 R 4.4658 7.9028 117.5270 52.8634 30.8420 176.1621 150 Q 4.3171 8.1352 121.7195 56.7831 29.3682 173.2193 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 1 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.15 4.54 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 3 K 9.17 3.89 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 7.47 3.86 0.00 1.68 1.87 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 5 K 7.47 3.94 0.00 1.77 2.04 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.58 4.19 0.00 1.85 1.94 0.00 3.21 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 7 Q 8.04 4.19 0.00 2.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.94 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 8 R 7.68 3.92 0.00 1.79 1.92 0.00 3.36 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 8.89 4.06 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 0.00 0.00 0.00 10 S 8.03 4.20 0.00 3.99 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 11 R 7.65 4.08 0.00 1.97 2.04 0.00 3.21 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.55 4.18 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 1.33 0.00 0.00 13 H 8.25 4.58 0.00 3.22 3.41 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.46 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 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 16 G 7.85 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 0.00 0.00 0.00 0.00 17 S 8.64 4.13 0.00 3.87 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 18 H 8.83 4.42 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.91 4.10 0.00 1.69 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.25 7.81 20 N 7.67 4.40 0.00 2.80 2.56 0.00 0.00 6.94 8.52 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 21 R 7.44 4.38 0.00 1.77 1.90 0.00 3.17 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.46 4.49 0.00 1.74 0.90 0.00 3.29 0.00 0.00 3.19 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 G 8.57 4.04 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 0.00 0.00 0.00 24 A 8.65 4.23 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 25 G 8.07 3.69 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 0.00 0.00 0.00 26 H 8.15 4.52 0.00 3.20 3.48 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.05 4.49 0.00 2.01 1.90 0.00 3.35 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 28 G 8.90 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 29 G 8.33 4.06 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 0.00 0.00 0.00 30 R 8.44 4.11 0.00 1.77 1.86 0.00 3.43 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 31 G 8.42 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.64 4.82 0.00 2.74 2.70 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 0.00 0.00 0.00 33 A 7.43 4.04 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 34 G 8.94 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 35 R 7.71 3.90 0.00 1.71 2.05 0.00 2.75 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 36 D 7.93 5.02 0.00 2.75 2.76 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 37 K 8.74 4.34 0.00 1.71 1.61 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.51 7.81 38 H 9.52 4.54 0.00 3.28 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.54 4.69 0.00 1.91 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 2.17 0.00 40 F 8.18 5.01 0.00 3.01 3.14 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 41 H 6.59 3.78 0.00 2.95 3.15 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.89 4.25 0.00 2.81 2.83 0.00 0.00 6.76 8.16 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 43 H 7.77 4.88 0.00 3.31 3.19 0.00 5.90 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 44 E 8.76 4.16 0.00 1.97 1.90 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 2.33 2.31 0.00 45 P 0.00 4.40 0.00 2.17 2.07 0.00 3.79 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 2.00 2.00 0.00 46 L 8.21 4.07 0.00 1.65 1.65 0.91 0.94 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 47 G 8.07 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 48 K 8.08 4.56 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.41 7.81 49 S 8.44 4.32 0.00 3.79 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 50 G 9.12 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 0.00 0.00 0.00 51 F 8.32 5.01 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 52 K 8.35 4.27 0.00 1.68 1.63 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.34 7.81 53 R 8.08 4.56 0.00 1.77 1.89 0.00 3.37 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 54 P 0.00 4.29 0.00 2.23 2.22 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 55 Q 9.07 3.95 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.21 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 56 K 7.94 4.53 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 57 V 7.80 4.36 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 0.85 0.00 0.00 0.98 0.00 0.00 58 Q 7.69 4.60 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.37 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 59 E 8.58 4.47 0.00 1.95 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 2.53 2.29 0.00 60 E 8.46 4.40 0.00 1.96 1.73 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 0.00 2.18 2.20 0.00 61 A 8.23 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.98 4.48 1.21 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 0.00 0.00 63 T 8.27 5.57 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 1.18 0.00 0.00 64 I 7.87 4.59 1.85 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 1.34 1.32 0.93 0.00 0.00 65 D 8.63 5.14 0.00 2.64 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 66 V 8.79 3.60 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 0.86 0.00 0.00 1.00 0.00 0.00 67 R 7.68 3.86 0.00 1.95 2.01 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 68 E 8.06 3.91 0.00 2.00 2.06 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 2.31 2.33 0.00 69 I 7.78 3.71 2.03 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 1.52 0.67 0.91 0.00 0.00 70 D 8.74 4.37 0.00 2.83 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 71 E 8.32 4.22 0.00 1.96 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 0.00 2.34 2.58 0.00 72 N 8.08 4.96 0.00 2.63 2.70 0.00 0.00 6.83 8.52 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 73 V 7.38 3.31 0.67 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 0.51 0.00 0.00 0.46 0.00 0.00 74 T 7.66 3.80 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 1.16 0.00 0.00 75 L 7.45 4.09 0.00 1.65 1.75 0.97 1.03 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 76 L 7.78 4.46 0.00 1.82 1.77 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.94 3.99 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 78 A 7.75 4.54 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 79 D 8.14 4.72 0.00 2.72 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 80 D 7.70 4.29 0.00 2.97 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 81 V 8.37 4.59 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 0.45 0.00 0.00 1.01 0.00 0.00 82 A 8.08 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.93 3.81 0.00 2.05 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 2.26 2.28 0.00 *89 F 7.72 4.54 0.00 3.06 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 90 R 8.73 5.23 0.00 1.83 1.81 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.87 4.51 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 0.68 0.00 0.00 0.95 0.00 0.00 92 D 8.73 4.73 0.00 2.78 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 93 V 8.46 3.58 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 0.87 0.00 0.00 0.98 0.00 0.00 94 R 7.61 3.54 0.00 1.96 2.02 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 95 D 8.12 4.66 0.00 2.75 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 96 V 8.41 4.05 2.15 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 0.80 0.00 0.00 0.93 0.00 0.00 97 V 7.29 3.57 2.06 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.60 4.16 0.00 2.05 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 2.38 2.31 0.00 99 E 8.69 3.96 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 2.18 2.27 0.00 100 A 7.45 4.45 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 0.00 101 D 7.86 4.76 0.00 2.68 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 0.00 102 D 8.07 4.50 0.00 2.76 2.74 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 0.00 103 A 7.35 4.62 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 0.00 104 D 8.60 4.50 0.00 2.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.79 5.09 0.00 3.26 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 0.00 106 V 9.11 4.67 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 0.89 0.00 0.00 0.94 0.00 0.00 107 K 9.44 4.86 0.00 1.99 1.63 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.46 7.81 108 V 8.36 4.55 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 1.02 0.00 0.00 0.67 0.00 0.00 109 L 9.48 4.77 0.00 1.76 1.57 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.38 4.12 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 0.00 0.00 0.00 111 A 8.04 4.63 1.36 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 0.00 0.00 112 G 8.98 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 0.00 113 Q 8.23 4.52 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.87 4.37 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 0.99 0.00 0.00 0.95 0.00 0.00 115 R 8.62 4.52 0.00 1.54 1.78 0.00 3.15 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 116 H 7.68 5.17 0.00 3.05 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.84 4.65 0.00 2.01 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 2.31 2.26 0.00 118 L 8.58 5.07 0.00 1.65 1.64 1.01 0.79 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 0.00 119 T 9.35 4.92 4.37 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 1.23 0.00 0.00 120 L 8.99 5.21 0.00 1.77 1.84 1.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.78 5.49 1.94 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 1.18 1.78 0.98 0.00 0.00 122 A 8.77 4.88 0.58 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 0.00 0.00 123 D 8.69 4.39 0.00 2.86 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 0.00 124 D 7.65 4.65 0.00 2.51 2.30 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 0.00 125 F 8.95 5.49 0.00 2.87 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 0.00 126 S 8.60 4.72 0.00 3.92 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 0.00 127 E 9.21 4.02 0.00 2.05 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 2.42 2.43 0.00 128 G 8.26 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 0.00 0.00 0.00 129 A 7.73 4.03 1.57 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 0.00 0.00 130 R 8.36 3.76 0.00 2.02 1.86 0.00 3.17 0.00 0.00 3.11 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 131 E 8.53 3.82 0.00 2.03 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 2.34 2.54 0.00 132 K 8.22 3.85 0.00 1.90 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 133 V 7.83 3.57 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 1.05 0.00 0.00 1.05 0.00 0.00 134 E 8.00 4.72 0.00 2.12 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 2.27 2.36 0.00 135 G 8.60 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 0.00 0.00 0.00 136 A 7.40 4.62 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 0.00 137 G 8.44 3.60 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 0.00 0.00 0.00 138 G 7.74 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.30 4.98 0.00 3.75 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.16 4.48 1.64 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 -0.85 0.00 0.00 0.34 0.00 0.00 141 E 9.60 4.59 0.00 2.05 1.87 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 2.24 2.21 0.00 142 L 8.46 4.99 0.00 1.68 1.61 1.31 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.56 4.08 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 1.26 0.00 0.00 144 D 8.81 4.36 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 0.00 145 L 8.06 3.94 0.00 1.61 1.84 1.02 1.00 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 0.00 146 G 7.67 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 0.00 0.00 0.00 147 E 8.08 4.38 0.00 2.09 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 2.35 2.46 0.00 148 E 7.86 4.77 0.00 1.82 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 2.17 2.55 0.00 149 R 7.90 4.47 0.00 1.74 1.83 0.00 3.33 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 150 Q 8.14 4.32 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.