NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.8412 8.3193 115.5539 58.4797 64.6416 172.4366 3 K 4.5692 8.7433 119.6192 55.1273 36.2685 173.9963 4 T 4.4765 9.3281 119.4529 63.8561 69.7747 175.0445 5 I 4.4882 8.5835 126.5089 59.7642 38.7999 175.2400 6 A 4.8382 8.5192 128.0009 50.5863 21.7456 175.0763 7 T 4.6138 9.7102 117.1740 60.1792 70.5207 174.6501 8 E 4.2089 8.7853 125.3123 58.6461 29.9301 177.3697 9 N 4.5381 8.1904 115.8142 54.1703 38.8932 174.4574 10 A 4.8459 7.2622 119.0460 48.9533 22.2260 174.1300 11 P 4.2611 0.0000 0.0000 62.5753 31.9017 176.7857 12 A 3.9555 8.4811 124.8852 52.2869 18.8111 177.7728 13 A 4.1419 8.0716 124.2899 50.6202 17.6239 177.6866 14 I 3.8304 8.1605 121.9415 64.6576 37.8557 177.8288 15 G 4.0112 7.8359 106.7237 44.7814 0.0000 171.4849 16 P 4.5956 0.0000 0.0000 60.7696 29.4801 173.9389 17 Y 4.7793 6.7862 119.3101 57.0499 41.0780 174.5494 18 V 4.3324 8.0015 113.0493 59.2709 34.7446 176.2187 19 Q 4.2949 8.7525 120.5067 59.2865 29.7843 176.3829 20 G 4.4152 7.5100 103.5158 45.9197 0.0000 172.6155 21 V 5.0022 8.7171 112.9337 59.4003 35.8807 174.8788 22 D 4.9866 9.2937 124.9264 52.8004 42.3311 176.1696 23 L 4.6683 8.7894 126.2510 54.3103 43.6555 176.7381 24 G 4.1555 8.7416 108.9121 44.6683 0.0000 175.1358 25 N 4.4812 9.7295 122.8034 55.9825 41.0398 173.7423 26 M 5.0583 8.0226 118.2538 53.9323 34.6428 174.7269 27 I 5.0491 8.9093 126.4660 59.5963 40.6056 174.5408 28 I 5.0651 8.6975 126.7479 59.7684 40.3792 175.0848 29 T 4.7947 8.8029 117.5765 60.3518 70.6828 174.8049 30 S 4.4267 8.8188 119.4801 57.9721 64.0741 174.4700 31 G 3.9043 8.4512 108.9305 46.3591 0.0000 173.0250 32 Q 4.7215 9.3309 126.6505 54.7359 30.3875 175.4985 33 I 4.7752 8.2165 117.1368 57.6424 40.4857 173.7549 34 P 4.5473 0.0000 0.0000 62.4177 30.8160 176.2347 35 V 4.1853 7.3412 117.3609 62.3512 33.1751 174.3402 36 N 4.7883 9.3278 126.4050 51.9322 39.2208 174.1178 37 P 4.5580 0.0000 0.0000 65.0733 32.0152 177.6245 38 K 4.1215 8.7985 121.0050 58.7271 32.2120 177.4305 39 T 4.3365 8.2101 105.6958 60.7924 70.3242 175.2726 40 G 3.9335 8.6884 110.1471 45.3089 0.0000 173.3669 41 E 4.3675 7.8940 119.5421 55.3544 30.6858 175.3587 42 V 4.9399 8.1678 119.5299 59.3161 33.5932 173.8168 43 P 4.4250 0.0000 0.0000 62.4646 32.1329 176.3872 44 A 4.0507 8.6094 123.8536 55.2768 18.7484 178.7195 45 D 4.4161 8.0547 115.5390 54.5250 42.4510 177.4527 46 V 3.5995 8.4821 126.7001 64.7981 31.4807 178.3708 47 A 3.9302 8.0436 120.7187 54.9513 18.2473 179.2938 48 A 3.9448 8.4896 119.3833 55.2775 18.3168 179.9094 49 Q 3.8911 8.2915 116.5456 59.0624 28.8067 178.7567 50 A 3.9534 8.3160 122.1707 55.2528 18.3144 179.7002 51 R 3.6801 8.1515 117.2352 59.4164 29.8440 178.5491 52 Q 3.9129 8.3189 119.6538 59.2503 29.0139 178.2962 53 S 4.1682 8.2570 116.4283 61.6805 62.8212 176.7552 54 L 3.5708 7.7623 121.5473 57.6889 41.0454 179.3499 55 D 4.4912 8.1978 119.1798 57.3122 40.6373 178.6295 56 N 4.3145 8.2941 117.1724 56.1923 38.5186 177.4731 57 V 3.5720 7.8840 119.7800 65.9677 31.5874 177.7975 58 K 3.8739 8.4370 119.4002 59.5979 32.0258 178.3590 59 A 4.0380 8.2619 121.0452 55.3200 17.7412 179.7841 60 I 3.6929 7.6377 117.8684 64.4877 37.2261 178.8043 61 V 3.6436 7.9799 119.1988 66.2063 31.2943 177.9916 62 E 4.7403 8.9983 119.8017 58.7790 29.0558 179.0984 63 A 4.0169 7.9551 119.7699 54.2164 18.4552 178.3980 64 A 4.4781 7.4056 116.6381 51.8293 19.1414 177.8935 65 G 3.8153 8.2226 106.2054 45.5806 0.0000 173.3205 66 L 4.7035 7.7555 119.8400 52.6518 44.4906 175.1527 67 K 4.8955 8.9140 118.3730 54.2206 35.4498 177.7897 68 V 3.6362 8.3986 119.8192 66.2273 31.2849 178.2827 69 G 3.8135 8.0344 106.7100 47.7186 0.0000 173.5154 70 D 4.6354 8.4333 119.5857 54.7152 41.4047 176.2849 71 I 4.4513 7.7105 121.8255 61.4515 37.5640 176.0263 72 V 4.4527 8.9304 117.7513 61.2503 34.4944 175.4460 73 K 5.1471 7.8302 121.4345 55.2967 35.7003 174.5737 74 T 5.2561 9.1422 116.4991 60.2582 73.0764 172.5825 75 T 4.7924 8.6100 118.3309 61.6739 71.9053 173.1640 76 V 4.5514 8.5072 127.1218 61.2540 33.3418 174.6152 77 F 5.0590 9.0851 128.0274 56.1930 40.7208 175.7022 78 V 4.9831 8.7703 116.6977 59.4419 34.8718 176.6301 79 K 4.0757 8.8803 124.0829 58.7770 33.1734 176.6884 80 D 4.6307 7.9237 119.5837 52.8145 42.7860 175.3446 81 L 4.1930 9.4462 128.7584 57.1364 41.7714 179.3970 82 N 4.4791 8.7854 116.0521 55.5481 38.7576 175.4144 83 D 4.7965 8.2863 117.4926 54.1732 41.3892 178.0741 84 F 3.9460 8.3525 123.6903 60.9796 39.1992 176.9817 85 A 4.0263 8.0663 120.3135 55.3265 18.2105 179.5933 86 T 3.7644 7.7243 113.7046 66.6789 68.6381 176.9238 87 V 3.4318 7.4310 120.0213 66.0129 31.4503 177.6971 88 N 3.9947 7.9997 116.2120 56.1456 38.3484 177.2020 89 A 3.9977 7.9803 121.9894 55.5310 18.4094 179.8777 90 T 3.8726 7.9327 114.2291 66.8303 68.5813 176.3118 91 Y 4.0527 8.4766 121.8920 60.6785 38.7645 177.6911 92 E 4.1340 8.8746 120.4167 59.3961 29.7711 178.5380 93 A 4.0659 8.2594 120.7208 55.1814 18.5843 179.1929 94 F 4.1807 8.4728 120.6347 60.9399 39.4481 177.4140 95 F 4.0320 8.3497 117.0644 60.8650 38.7601 177.7956 96 T 3.9254 8.5117 115.6239 66.7902 67.9381 176.5113 97 E 3.9317 8.7233 120.6998 58.8514 29.0736 178.0861 98 H 4.5678 7.1739 112.6501 53.9407 29.5586 174.2008 99 N 4.0124 7.8753 117.7318 54.5707 37.8246 173.6996 100 A 4.7678 7.6776 118.2657 50.1296 21.3242 177.7534 101 T 3.7712 8.1975 118.9630 63.1481 69.2233 174.5967 102 F 4.1986 7.8468 124.0340 56.8777 39.5700 173.6687 103 P 4.6464 0.0000 0.0000 61.8295 32.3717 175.9140 104 A 4.2854 8.7450 123.0576 52.6574 19.4920 176.6636 105 R 5.0070 8.1892 118.1385 55.4473 33.5616 173.9511 106 S 4.7014 8.4257 120.0033 56.6155 67.2419 173.1273 *108 V 3.9852 8.0638 111.9808 61.6072 33.2303 174.4767 109 E 4.8533 8.5636 123.5902 55.3067 30.4458 176.0652 110 V 4.2883 8.5895 120.8798 59.7875 33.4177 176.3269 111 A 4.1071 8.5650 124.1801 55.2304 18.5197 177.8230 112 R 4.4919 7.1968 111.4707 55.6979 32.9666 173.3423 113 L 4.8335 7.8579 121.3474 51.6742 45.6711 174.3663 114 P 4.4046 0.0000 0.0000 64.4255 31.6265 177.0006 115 K 3.7182 9.2678 119.2546 56.9674 29.5485 175.0552 116 D 4.4104 8.1367 115.7247 55.3803 38.6971 174.6441 117 V 3.9534 7.4671 111.6599 61.4575 32.3647 176.3611 118 K 4.4769 9.1742 119.3563 57.2705 33.1230 176.5126 119 I 5.0565 7.3787 118.2948 60.0028 41.0604 173.1451 120 E 5.0138 9.3973 127.9684 54.8195 33.5450 173.9170 121 I 5.1113 8.9972 127.0424 59.5594 41.0673 174.2414 122 E 5.1259 9.0846 124.6426 54.7603 32.6459 174.7908 123 A 5.3197 8.7858 121.4571 50.6451 23.4990 174.9494 124 I 5.0565 9.0338 120.4722 59.4941 40.4733 174.8403 125 A 5.2999 9.1642 127.4772 50.2949 22.7765 175.1150 126 V 4.8928 8.3606 111.7033 59.7400 34.9626 176.5673 127 R 4.1442 9.4041 125.6719 58.8115 30.8030 177.8331 128 R 4.2380 8.2259 121.1583 56.1534 30.1073 177.9878 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 2 S 8.32 4.84 0.00 3.99 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 3 K 8.74 4.57 0.00 1.80 1.89 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.50 7.81 4 T 9.33 4.48 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 I 8.58 4.49 1.90 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 1.18 0.56 0.97 0.00 0.00 6 A 8.52 4.84 1.17 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 7 T 9.71 4.61 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 1.25 0.00 0.00 8 E 8.79 4.21 0.00 2.12 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 2.28 2.28 0.00 9 N 8.19 4.54 0.00 2.76 2.92 0.00 0.00 6.68 6.97 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 10 A 7.26 4.85 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 11 P 0.00 4.26 0.00 2.11 2.05 0.00 3.72 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 2.06 2.29 0.00 12 A 8.48 3.96 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 13 A 8.07 4.14 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 14 I 8.16 3.83 1.90 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 1.33 0.76 0.91 0.00 0.00 15 G 7.84 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 16 P 0.00 4.60 0.00 2.24 2.14 0.00 3.98 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 2.09 2.00 0.00 17 Y 6.79 4.78 0.00 3.21 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 18 V 8.00 4.33 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 0.74 0.00 0.00 1.03 0.00 0.00 19 Q 8.75 4.29 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 20 G 7.51 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 5.00 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 0.71 0.00 0.00 1.02 0.00 0.00 22 D 9.29 4.99 0.00 2.70 2.55 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 23 L 8.79 4.67 0.00 1.77 1.68 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.74 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 0.00 0.00 0.00 0.00 25 N 9.73 4.48 0.00 2.88 2.83 0.00 0.00 6.42 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 26 M 8.02 5.06 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 27 I 8.91 5.05 1.90 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 1.25 0.55 0.94 0.00 0.00 28 I 8.70 5.07 1.90 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 1.31 0.79 0.95 0.00 0.00 29 T 8.80 4.79 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 1.25 0.00 0.00 30 S 8.82 4.43 0.00 3.96 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 31 G 8.45 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 32 Q 9.33 4.72 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 33 I 8.22 4.78 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 1.39 0.62 0.89 0.00 0.00 34 P 0.00 4.55 0.00 2.24 2.41 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 35 V 7.34 4.19 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 0.94 0.00 0.00 36 N 9.33 4.79 0.00 2.77 2.76 0.00 0.00 6.83 7.28 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 37 P 0.00 4.56 0.00 2.23 2.16 0.00 3.82 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 2.00 2.12 0.00 38 K 8.80 4.12 0.00 1.71 2.09 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.38 7.81 39 T 8.21 4.34 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 G 8.69 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 41 E 7.89 4.37 0.00 2.07 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 2.30 2.24 0.00 42 V 8.17 4.94 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 1.06 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.42 0.00 2.22 2.04 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 44 A 8.61 4.05 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 45 D 8.05 4.42 0.00 2.72 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 46 V 8.48 3.60 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 0.94 0.00 0.00 0.94 0.00 0.00 47 A 8.04 3.93 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 A 8.49 3.94 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 49 Q 8.29 3.89 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 50 A 8.32 3.95 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 51 R 8.15 3.68 0.00 1.89 2.06 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 52 Q 8.32 3.91 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 53 S 8.26 4.17 0.00 4.00 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 54 L 7.76 3.57 0.00 0.89 0.13 0.50 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.20 4.49 0.00 2.91 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 56 N 8.29 4.31 0.00 2.88 3.07 0.00 0.00 6.61 7.19 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 57 V 7.88 3.57 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 1.11 0.00 0.00 0.97 0.00 0.00 58 K 8.44 3.87 0.00 2.09 2.16 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.45 7.81 59 A 8.26 4.04 1.41 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 60 I 7.64 3.69 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.95 0.00 0.00 61 V 7.98 3.64 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 1.09 0.00 0.00 1.01 0.00 0.00 62 E 9.00 4.74 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 63 A 7.96 4.02 1.41 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 64 A 7.41 4.48 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 65 G 8.22 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 66 L 7.76 4.70 0.00 1.89 1.70 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.91 4.90 0.00 1.82 1.66 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.32 7.81 68 V 8.40 3.64 1.75 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 0.61 0.00 0.00 0.53 0.00 0.00 69 G 8.03 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 70 D 8.43 4.64 0.00 2.88 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 71 I 7.71 4.45 2.28 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 1.12 0.00 0.00 72 V 8.93 4.45 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 0.79 0.00 0.00 1.02 0.00 0.00 73 K 7.83 5.15 0.00 1.85 1.61 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.51 7.81 74 T 9.14 5.26 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 1.39 0.00 0.00 75 T 8.61 4.79 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 0.27 0.00 0.00 76 V 8.51 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.98 0.00 0.00 77 F 9.09 5.06 0.00 3.08 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 78 V 8.77 4.98 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 1.03 0.00 0.00 0.98 0.00 0.00 79 K 8.88 4.08 0.00 1.78 1.86 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 80 D 7.92 4.63 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 9.45 4.19 0.00 1.76 1.65 0.77 -0.04 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 82 N 8.79 4.48 0.00 2.85 2.90 0.00 0.00 6.92 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 83 D 8.29 4.80 0.00 2.95 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 84 F 8.35 3.95 0.00 3.19 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 85 A 8.07 4.03 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 86 T 7.72 3.76 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 1.19 0.00 0.00 87 V 7.43 3.43 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.91 0.00 0.00 88 N 8.00 3.99 0.00 2.76 2.72 0.00 0.00 6.96 7.85 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 89 A 7.98 4.00 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 90 T 7.93 3.87 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 1.27 0.00 0.00 91 Y 8.48 4.05 0.00 3.12 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 92 E 8.87 4.13 0.00 2.11 2.19 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 2.47 2.57 0.00 93 A 8.26 4.07 1.52 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 0.00 0.00 0.00 94 F 8.47 4.18 0.00 3.16 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 95 F 8.35 4.03 0.00 3.69 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 96 T 8.51 3.93 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 1.24 0.00 0.00 97 E 8.72 3.93 0.00 1.81 1.71 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 2.24 2.42 0.00 98 H 7.17 4.57 0.00 2.91 3.16 0.00 6.00 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.88 4.01 0.00 2.72 2.77 0.00 0.00 6.89 7.58 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 0.00 100 A 7.68 4.77 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.20 3.77 4.20 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 1.16 0.00 0.00 102 F 7.85 4.20 0.00 3.03 2.79 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 0.00 103 P 0.00 4.65 0.00 1.92 1.97 0.00 3.21 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 104 A 8.75 4.29 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 0.00 105 R 8.19 5.01 0.00 1.73 1.65 0.00 2.76 0.00 0.00 2.71 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 106 S 8.43 4.70 0.00 3.65 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *108 V 8.06 3.99 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 0.64 0.00 0.00 1.05 0.00 0.00 109 E 8.56 4.85 0.00 1.93 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 2.23 2.41 0.00 110 V 8.59 4.29 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 0.80 0.00 0.00 1.06 0.00 0.00 111 A 8.56 4.11 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 0.00 112 R 7.20 4.49 0.00 1.71 1.72 0.00 3.17 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 113 L 7.86 4.83 0.00 1.85 1.47 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.40 0.00 2.12 1.93 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 115 K 9.27 3.72 0.00 1.90 1.89 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.43 7.81 116 D 8.14 4.41 0.00 2.82 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 0.00 117 V 7.47 3.95 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 0.72 0.00 0.00 1.05 0.00 0.00 118 K 9.17 4.48 0.00 1.84 1.86 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.38 7.81 119 I 7.38 5.06 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.93 0.00 0.00 120 E 9.40 5.01 0.00 2.08 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 2.35 2.32 0.00 121 I 9.00 5.11 1.91 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 1.38 0.56 1.02 0.00 0.00 122 E 9.08 5.13 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 123 A 8.79 5.32 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 0.00 124 I 9.03 5.06 1.90 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 1.19 0.78 0.94 0.00 0.00 125 A 9.16 5.30 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 0.00 126 V 8.36 4.89 2.19 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 0.74 0.00 0.00 1.04 0.00 0.00 127 R 9.40 4.14 0.00 1.83 1.99 0.00 3.12 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 128 R 8.23 4.24 0.00 1.80 1.64 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.