NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.3693 8.4145 122.1444 54.2678 33.3581 175.5804 10 K 4.5614 8.3809 124.5873 49.0625 35.6537 169.7274 11 P 4.4509 0.0000 0.0000 63.5645 32.4944 175.0813 12 K 5.0031 9.3439 122.7871 54.6497 36.2608 174.3452 13 L 5.1107 8.6100 118.9700 53.7921 46.0536 176.3085 14 L 4.9283 8.7325 123.3196 53.5772 42.8360 173.8154 15 Y 5.2164 9.1210 126.1460 56.6654 40.7564 173.4900 16 C 4.2258 8.6169 128.5910 57.8715 32.3274 173.8162 17 S 3.6145 7.8647 121.9206 61.2567 62.2775 174.6014 18 N 4.0372 7.4181 122.6391 55.6191 38.0598 173.2705 19 G 3.8398 8.5207 115.2779 43.7814 0.0000 172.0092 20 G 3.4912 7.1566 105.9572 47.1522 0.0000 171.8756 21 H 4.8660 7.0845 114.4221 53.7735 33.7656 174.3242 22 F 5.6762 9.4956 119.3177 55.4922 41.3612 175.4825 23 L 4.5587 9.2446 126.1448 55.7661 43.3031 175.7580 24 R 4.8592 9.1297 124.7953 54.9790 34.0722 173.8038 25 I 4.8857 8.0919 126.7247 58.7712 38.1728 175.2049 26 L 4.0132 8.8735 127.3975 53.7529 42.2468 177.0123 27 P 4.3344 0.0000 0.0000 65.8001 30.9636 176.2750 28 D 4.6690 8.1027 117.0295 53.2718 39.7166 177.1740 29 G 3.9592 8.2870 106.7861 46.8528 0.0000 173.6997 30 T 4.5811 7.6215 116.4831 62.3014 69.1992 173.9446 31 V 4.7541 8.1839 126.6484 61.5967 33.6663 174.7315 32 D 4.5118 8.5625 125.8899 53.1757 43.4484 174.1251 33 G 4.5951 8.1965 104.0568 45.6931 0.0000 171.9165 34 T 4.8995 9.0599 113.8754 61.0432 70.9395 174.4802 35 R 3.8918 8.7086 123.8674 56.3673 31.3637 176.2600 36 D 4.5715 8.1188 118.9707 53.5401 40.4804 176.5773 37 R 4.0370 8.7190 128.2672 59.3750 30.3581 177.2721 38 S 4.5158 8.1683 111.6061 58.5017 62.8316 173.0580 39 D 4.5667 7.9929 122.1443 54.1401 41.2630 176.7872 40 Q 4.5863 8.7296 124.4740 56.8533 28.4289 175.8826 41 H 4.9491 8.5372 113.5598 55.6557 30.3863 174.6022 42 I 4.6910 7.7798 110.2455 59.8781 38.4689 175.0314 43 Q 4.4604 7.8741 121.9702 55.6070 29.7306 174.6720 44 L 4.9583 9.0861 124.6555 52.7727 45.8307 175.3374 45 Q 4.6760 8.8867 124.6953 54.5349 30.8721 174.0651 46 L 5.0472 8.5507 127.0431 53.7127 43.1675 175.9120 47 S 4.7335 9.3030 120.3346 56.4221 64.0946 173.1940 48 A 4.7949 8.7024 131.4952 51.7067 18.1651 176.4082 49 E 4.4703 8.3447 123.4674 58.0146 30.8445 176.8873 50 S 4.3737 7.3896 114.0242 59.2158 66.7287 175.0518 51 V 3.9015 8.6544 121.9584 65.5483 31.8718 177.3678 52 G 4.1744 7.9997 103.6302 45.5919 0.0000 172.4889 53 E 5.2934 8.0676 119.9557 55.3958 32.5735 175.1543 54 V 5.0610 8.6573 113.6324 60.6658 37.1680 173.0082 55 Y 4.9730 9.3040 119.9163 56.5087 41.1427 175.2633 56 I 4.5582 8.8205 124.6661 59.4913 38.8566 173.4612 57 K 4.6923 8.5054 128.5135 53.7642 34.6894 175.1502 58 S 4.4984 8.9364 123.2535 59.0586 62.8553 174.9943 59 T 3.8678 8.4272 117.8467 64.8098 68.8740 175.9356 60 E 3.9996 8.3705 122.1223 58.4786 29.7779 177.1495 61 T 4.3221 7.6802 105.1169 60.6999 69.9369 175.3366 62 G 3.8719 7.9105 110.2031 45.4410 0.0000 173.8193 63 Q 4.4547 7.5406 118.9768 56.0821 30.2258 174.7489 64 Y 4.7503 9.4493 121.3729 56.5931 40.1279 174.8493 65 L 4.5145 9.0497 127.0406 55.0996 43.1266 174.4324 66 A 4.8036 8.9684 130.9993 50.1329 23.2924 174.0317 *68 D 5.3227 8.6424 114.9510 54.1881 40.6113 176.5541 69 T 4.2553 8.6222 108.1297 64.1311 68.6329 174.4841 70 D 4.6435 8.4319 120.5753 53.8860 41.3078 177.1120 71 G 2.8371 8.0115 108.2410 44.9376 0.0000 173.0240 72 L 4.4959 7.9541 121.4611 53.6644 43.0557 176.1848 73 L 4.6697 8.2709 125.3230 54.6380 42.8758 175.3195 74 Y 5.0212 8.4369 119.2676 56.1453 42.0816 173.7420 75 G 4.5493 9.1465 108.4656 44.5156 0.0000 173.2418 76 S 5.1358 9.2523 122.2746 56.7687 64.5200 174.5838 77 Q 4.6565 8.8596 123.3763 56.3751 29.0284 175.8404 78 T 4.5699 7.5485 114.3483 61.1873 72.3151 172.4981 79 P 3.9188 0.0000 0.0000 61.9416 30.3465 174.8957 80 N 5.0987 8.0202 122.2694 50.2869 40.3416 175.3241 81 E 3.9177 8.5592 114.5904 59.6160 29.7287 178.0983 82 E 4.2600 8.1619 116.6524 57.0738 29.3924 177.1489 83 C 4.6593 7.5306 115.0819 58.3340 29.9928 173.5607 84 L 3.9082 6.8641 122.1939 54.1347 42.9937 175.4716 85 F 5.3574 8.5698 123.4363 55.6997 43.7345 173.7609 86 L 4.7784 8.9418 122.8734 54.1653 42.9802 175.2725 87 E 4.6102 8.9710 126.0293 54.9831 30.7114 175.1815 88 R 4.8049 8.8975 125.2190 54.3478 34.9097 174.0152 89 L 5.2162 8.2501 119.3784 53.0192 44.0667 176.8921 90 E 4.3147 9.1232 124.7855 55.5537 30.3460 176.7561 91 E 4.1632 8.6654 121.6655 57.6493 29.7392 176.6552 92 N 4.7086 7.9653 113.8896 53.6056 39.3243 174.3276 93 H 4.0572 7.7387 112.7429 57.7494 26.4516 174.0806 94 Y 4.8911 7.5015 115.4873 56.2618 42.4776 175.9497 95 N 5.3081 9.4689 120.3487 52.5344 40.5838 174.3139 96 T 5.1042 8.6248 113.2773 60.0571 72.3193 172.4126 97 Y 5.1717 8.8854 121.9013 56.5163 40.5017 174.0750 98 I 4.6007 8.3869 125.4630 58.6631 40.7794 174.5256 99 S 4.3454 8.7899 124.2286 58.8996 62.5498 174.6907 100 K 3.8962 8.3275 129.3573 59.7006 32.1019 178.2912 101 K 3.9310 8.0154 120.0317 59.7768 32.3136 177.7849 102 H 4.5189 8.0366 114.9229 55.7531 29.2238 177.7975 103 A 3.9689 8.4055 123.4683 54.5966 18.1937 180.8343 104 E 3.8723 7.9214 111.4500 58.8553 29.6468 178.1172 105 K 3.7658 7.3088 117.7479 56.5458 32.8272 175.6490 106 N 3.8971 7.7885 116.4023 54.0909 37.0819 173.6700 107 W 5.1613 7.4802 118.9935 55.3530 32.0755 177.2585 108 F 5.3140 9.2994 123.2329 55.4394 42.1559 174.6577 109 V 4.1128 8.7928 120.4618 62.5644 32.0342 175.4803 110 G 4.5042 8.5235 112.3992 45.4235 0.0000 171.5413 111 L 5.3162 8.2666 121.6202 52.1916 44.3728 177.2098 112 K 4.0946 9.1254 123.0351 56.0056 32.6987 178.1064 113 K 3.9202 8.5184 122.3085 59.4790 32.1357 177.5064 114 N 4.5208 7.9510 113.6619 53.0196 37.4654 174.5595 115 G 3.7428 8.3497 109.0487 46.0057 0.0000 174.4812 116 S 4.3574 8.7100 115.8174 58.3285 64.1370 173.9642 117 C 4.7512 8.4994 116.1695 58.1561 30.6302 172.6016 118 K 4.5716 8.7753 122.3472 54.5300 33.6428 176.4552 119 R 4.0000 8.6774 126.2381 56.1190 30.6573 177.3234 120 G 3.2329 8.9225 113.3410 48.1806 0.0000 173.8880 121 P 4.5757 0.0000 0.0000 65.0397 31.1657 177.2417 122 R 4.2936 8.1244 116.1581 56.5596 30.2500 176.0479 123 T 5.3497 7.5897 107.9198 59.8696 71.4727 173.1091 124 H 5.0456 8.5772 119.2065 55.0563 32.6156 172.2135 125 Y 4.2663 8.5447 125.4404 59.7565 38.7816 176.7566 126 G 3.6404 8.5498 114.8717 45.3894 0.0000 173.5863 127 Q 4.1243 7.6269 118.3652 55.6969 29.1140 176.6638 128 K 3.9523 8.2205 118.6345 57.5700 32.9564 178.0499 129 A 3.9054 7.7563 121.0377 53.8506 18.5786 178.2071 130 I 4.4444 7.3745 107.2577 60.6419 38.5822 175.6660 131 L 4.2843 7.1398 122.6023 54.1980 41.9404 175.4556 132 F 5.1706 9.2363 123.4119 55.4728 42.2293 174.9613 133 L 5.1445 9.3166 124.2299 52.7836 44.8047 173.9032 134 P 5.0035 0.0000 0.0000 63.0473 30.6516 175.4440 135 L 4.5007 9.2122 125.5613 53.3456 43.3271 174.4845 136 P 4.9211 0.0000 0.0000 61.8869 32.3420 175.9639 137 V 4.2691 8.2461 122.3908 60.7257 33.8828 175.9064 138 S 3.9987 8.6438 116.3927 59.3050 62.9419 172.1956 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 9 K 8.41 4.37 0.00 1.79 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 10 K 8.38 4.56 0.00 1.79 1.53 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.06 7.81 11 P 0.00 4.45 0.00 2.03 2.10 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 12 K 9.34 5.00 0.00 1.66 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.60 7.81 13 L 8.61 5.11 0.00 1.49 1.34 0.65 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.73 4.93 0.00 1.66 1.81 0.48 0.80 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 15 Y 9.12 5.22 0.00 3.76 3.28 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 16 C 8.62 4.23 0.00 2.38 2.34 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 17 S 7.86 3.61 0.00 3.78 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.42 4.04 0.00 2.53 2.57 0.00 0.00 7.18 7.98 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 19 G 8.52 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 20 G 7.16 3.49 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 0.00 0.00 0.00 21 H 7.08 4.87 0.00 3.00 3.21 0.00 5.78 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 22 F 9.50 5.68 0.00 3.03 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 23 L 9.24 4.56 0.00 1.92 1.60 0.99 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.13 4.86 0.00 1.95 1.88 0.00 3.17 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 25 I 8.09 4.89 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.94 0.00 0.00 26 L 8.87 4.01 0.00 1.89 1.60 0.91 0.85 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 27 P 0.00 4.33 0.00 2.21 2.30 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 28 D 8.10 4.67 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.29 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 0.00 0.00 0.00 30 T 7.62 4.58 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 1.23 0.00 0.00 31 V 8.18 4.75 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 0.83 0.00 0.00 0.97 0.00 0.00 32 D 8.56 4.51 0.00 2.71 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 33 G 8.20 4.60 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 34 T 9.06 4.90 4.31 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 1.47 0.00 0.00 35 R 8.71 3.89 0.00 1.84 1.91 0.00 3.15 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 36 D 8.12 4.57 0.00 2.84 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 37 R 8.72 4.04 0.00 2.01 2.05 0.00 3.00 0.00 0.00 3.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 38 S 8.17 4.52 0.00 4.06 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 39 D 7.99 4.57 0.00 3.07 2.68 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 40 Q 8.73 4.59 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.21 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 41 H 8.54 4.95 0.00 3.28 3.35 0.00 5.77 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.78 4.69 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 1.14 0.00 0.00 43 Q 7.87 4.46 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 44 L 9.09 4.96 0.00 1.46 1.44 0.84 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.89 4.68 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 L 8.55 5.05 0.00 1.59 1.67 0.88 0.98 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 47 S 9.30 4.73 0.00 3.95 3.97 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 48 A 8.70 4.79 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 49 E 8.34 4.47 0.00 2.32 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 2.40 2.43 0.00 50 S 7.39 4.37 0.00 3.87 3.65 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 0.00 0.00 0.00 0.00 51 V 8.65 3.90 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 0.79 0.00 0.00 0.94 0.00 0.00 52 G 8.00 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 0.00 0.00 0.00 0.00 53 E 8.07 5.29 0.00 1.92 1.78 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 2.28 2.31 0.00 54 V 8.66 5.06 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 0.96 0.00 0.00 1.23 0.00 0.00 55 Y 9.30 4.97 0.00 3.11 3.16 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 56 I 8.82 4.56 1.81 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.82 0.71 0.00 0.00 57 K 8.51 4.69 0.00 0.79 1.13 0.00 1.01 0.00 0.00 1.14 0.00 0.00 2.63 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.98 0.85 7.81 58 S 8.94 4.50 0.00 3.86 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 59 T 8.43 3.87 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 60 E 8.37 4.00 0.00 1.84 1.91 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 2.09 2.22 0.00 61 T 7.68 4.32 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 62 G 7.91 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.54 4.45 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 64 Y 9.45 4.75 0.00 3.10 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 65 L 9.05 4.51 0.00 1.74 1.72 0.83 0.54 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 66 A 8.97 4.80 0.62 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 0.00 0.00 *68 D 8.64 5.32 0.00 3.06 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 69 T 8.62 4.26 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 1.34 0.00 0.00 70 D 8.43 4.64 0.00 2.78 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 G 8.01 2.84 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 72 L 7.95 4.50 0.00 1.56 1.94 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.27 4.67 0.00 1.70 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.44 5.02 0.00 3.15 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 75 G 9.15 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.25 5.14 0.00 4.14 3.87 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 0.00 0.00 0.00 77 Q 8.86 4.66 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 78 T 7.55 4.57 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 1.18 0.00 0.00 79 P 0.00 3.92 0.00 1.57 0.88 0.00 3.43 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 0.00 80 N 8.02 5.10 0.00 2.87 2.95 0.00 0.00 5.90 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 81 E 8.56 3.92 0.00 2.10 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 2.33 2.26 0.00 82 E 8.16 4.26 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 83 C 7.53 4.66 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 6.86 3.91 0.00 1.44 1.19 0.27 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.57 5.36 0.00 3.03 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 86 L 8.94 4.78 0.00 1.63 1.60 0.88 0.60 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 87 E 8.97 4.61 0.00 2.04 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 2.10 1.68 0.00 88 R 8.90 4.80 0.00 1.73 1.79 0.00 3.28 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 89 L 8.25 5.22 0.00 1.51 1.58 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.12 4.31 0.00 2.11 1.93 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 2.33 2.41 0.00 91 E 8.67 4.16 0.00 1.96 1.93 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 2.29 2.37 0.00 92 N 7.97 4.71 0.00 2.85 2.94 0.00 0.00 7.01 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 93 H 7.74 4.06 0.00 3.21 3.32 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.50 4.89 0.00 2.89 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 95 N 9.47 5.31 0.00 2.93 2.53 0.00 0.00 6.67 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 96 T 8.62 5.10 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 97 Y 8.89 5.17 0.00 2.73 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 98 I 8.39 4.60 1.09 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.06 0.85 0.00 0.00 99 S 8.79 4.35 0.00 4.24 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 0.00 100 K 8.33 3.90 0.00 1.70 1.65 0.00 1.75 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.32 7.81 101 K 8.02 3.93 0.00 1.56 1.46 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.19 1.43 7.81 102 H 8.04 4.52 0.00 3.34 2.61 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.41 3.97 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 0.00 104 E 7.92 3.87 0.00 2.00 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 2.13 2.18 0.00 105 K 7.31 3.77 0.00 0.79 1.11 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.05 0.89 7.81 106 N 7.79 3.90 0.00 2.87 3.02 0.00 0.00 7.04 8.60 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 0.00 107 W 7.48 5.16 0.00 3.27 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 0.00 108 F 9.30 5.31 0.00 2.96 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.79 4.11 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 0.27 0.00 0.00 0.48 0.00 0.00 110 G 8.52 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 0.00 0.00 0.00 0.00 111 L 8.27 5.32 0.00 1.41 1.58 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.13 4.09 0.00 1.96 1.70 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.51 7.81 113 K 8.52 3.92 0.00 1.74 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 114 N 7.95 4.52 0.00 2.83 2.90 0.00 0.00 6.25 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 0.00 115 G 8.35 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 0.00 116 S 8.71 4.36 0.00 3.77 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 0.00 117 C 8.50 4.75 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.78 4.57 0.00 1.83 1.74 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 119 R 8.68 4.00 0.00 1.81 1.65 0.00 3.13 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 120 G 8.92 3.23 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 0.00 121 P 0.00 4.58 0.00 2.26 2.43 0.00 2.96 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 122 R 8.12 4.29 0.00 1.88 2.01 0.00 3.30 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 123 T 7.59 5.35 4.44 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 1.41 0.00 0.00 124 H 8.58 5.05 0.00 3.28 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.54 4.27 0.00 2.97 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 0.00 126 G 8.55 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 0.00 127 Q 7.63 4.12 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 128 K 8.22 3.95 0.00 1.64 1.64 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.20 7.81 129 A 7.76 3.91 1.26 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 0.00 130 I 7.37 4.44 1.85 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.53 0.91 0.00 0.00 131 L 7.14 4.28 0.00 1.21 0.70 0.64 0.84 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 0.00 132 F 9.24 5.17 0.00 3.50 3.15 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 0.00 133 L 9.32 5.14 0.00 2.18 2.09 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.00 0.00 2.08 2.14 0.00 3.87 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 135 L 9.21 4.50 0.00 1.73 1.56 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.92 0.00 1.92 1.96 0.00 3.63 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 137 V 8.25 4.27 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 0.74 0.00 0.00 0.88 0.00 0.00 138 S 8.64 4.00 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.