NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4089 8.0433 122.6807 54.8575 42.6305 173.7366 4 I 4.7369 8.1205 125.2448 58.0117 39.3181 169.5599 5 V 4.3636 9.8278 128.8538 61.1463 34.5690 173.6217 6 N 5.1925 8.8761 125.5918 51.9296 40.3358 174.1621 7 V 4.6513 8.5500 125.5277 61.5868 33.3742 174.6528 8 I 4.8551 8.9084 130.0842 59.7700 39.8164 174.3201 9 N 5.3947 9.4353 125.9724 51.8530 40.7728 175.7336 10 G 4.3433 9.1580 114.2072 43.4990 0.0000 170.6379 11 P 4.4765 0.0000 0.0000 64.6097 31.8126 176.7182 12 N 4.5257 9.4550 117.8251 53.7607 37.5497 176.2147 13 L 4.2320 7.6680 117.1558 56.7034 41.9160 178.3571 14 G 3.6235 8.0013 106.2651 47.3347 0.0000 174.2242 15 R 4.4019 7.8424 118.9031 55.7853 30.6625 176.1634 16 L 4.1251 7.6690 119.9337 56.3108 42.1831 176.6313 17 G 4.2569 9.1238 117.2251 46.6736 0.0000 176.0166 18 R 4.2558 7.2279 116.3352 56.1880 30.8959 177.5454 *25 G 4.0196 7.9225 110.4911 45.7196 0.0000 174.5414 26 G 4.0294 9.0302 109.9544 45.0874 0.0000 173.1539 27 T 4.2048 7.7619 117.3978 63.1946 69.0131 175.4635 28 T 4.8901 8.6654 119.2095 60.3600 71.5008 175.3855 29 H 4.1002 8.5643 119.7290 59.3180 29.8186 176.6984 30 D 4.3073 8.0608 120.3135 57.4958 40.6587 178.4718 31 E 3.9349 7.8736 118.7416 59.1034 29.4150 179.1805 32 L 3.7800 7.8652 120.4152 58.1303 42.2364 179.1741 33 V 3.4098 7.7755 118.0864 65.7701 31.4028 177.7867 34 A 3.9254 8.0373 120.4462 55.2852 18.4104 179.6507 35 L 3.9551 8.0545 117.6243 57.9744 41.5580 179.9139 36 I 3.7478 7.8197 119.8208 64.3865 37.0079 178.3857 37 E 3.9499 8.1325 119.3554 59.1077 29.3696 179.4668 38 R 3.8660 7.9992 118.2611 59.4240 30.1441 178.7624 39 E 3.9573 8.1186 118.3591 59.0263 29.6082 178.5923 40 A 3.9726 8.3150 120.9816 55.1176 18.3502 179.5061 41 A 4.0247 8.1271 121.7377 56.0077 18.2630 180.4311 42 E 4.0354 7.9687 115.1984 60.4555 29.8745 180.1865 43 L 4.6744 7.6236 115.3236 54.0821 42.2480 176.6256 44 G 3.8166 7.8022 106.7455 46.7944 0.0000 173.2204 45 L 4.9961 8.3081 117.8965 52.2752 46.1298 176.1299 46 K 4.5388 9.1737 121.3162 54.7455 34.5170 174.3378 47 A 5.0410 8.6467 129.4431 50.3513 21.0025 176.0333 48 V 4.0050 8.8644 124.2387 61.3543 32.6776 174.1600 49 V 4.5398 8.0099 127.8858 61.5910 32.6496 175.2026 50 R 4.5233 8.8781 126.3106 54.4005 34.4691 173.8726 51 Q 5.2644 8.5181 122.6775 54.7460 32.1317 174.2118 52 S 4.7852 9.0704 118.2052 57.5638 66.1704 174.3792 53 D 4.7144 8.9018 124.4956 54.8034 41.4592 176.5596 54 S 4.5642 7.9554 115.7852 56.4916 63.7604 173.8042 55 E 3.8501 8.7209 129.6351 59.4700 29.5344 178.4294 56 A 3.8867 7.9141 120.2048 55.2379 18.3658 179.2417 57 Q 3.4028 7.5566 117.6654 59.0372 29.0288 178.4263 58 L 4.0715 7.5559 119.7810 57.7764 41.6606 179.3142 59 L 3.8472 7.9594 119.0383 57.8844 41.5207 179.1995 60 D 4.3051 7.8356 117.7639 57.1937 41.2623 178.3737 61 W 4.5472 7.9787 119.7915 59.7004 28.9400 178.4736 62 I 3.9708 8.0132 113.0722 63.8308 37.1561 178.0450 63 H 4.2720 8.1310 118.3569 58.9556 28.4622 177.6539 64 Q 4.0412 8.2586 119.5993 59.0639 28.6136 178.8300 65 A 4.0064 8.1379 121.2405 54.8170 17.8108 179.6480 66 A 3.9813 8.2782 119.9309 55.5188 18.2736 179.6463 67 D 4.3571 8.1682 116.1744 57.1288 41.0376 178.1235 68 A 4.2298 8.2772 118.5972 51.3647 19.3163 176.6933 69 A 3.7062 7.3783 118.0654 53.1613 16.7373 176.9428 70 E 4.8418 8.0204 119.0173 54.9214 31.7163 175.6516 71 P 4.6610 0.0000 0.0000 63.0550 33.0729 175.0366 72 V 4.9469 8.5955 120.6322 61.2858 34.8572 174.1038 73 I 4.7732 8.9003 128.9835 59.6569 39.2277 174.2461 74 L 5.0719 9.0871 130.1445 53.2145 44.8523 174.5308 75 N 5.1986 9.3716 125.4829 51.2325 40.2463 174.4619 76 A 4.4425 8.7199 128.9009 51.3286 20.8830 178.0332 77 G 3.9809 8.0061 105.8107 46.2181 0.0000 177.5413 78 G 3.8488 8.6777 110.3836 47.9701 0.0000 174.9831 79 L 4.2340 7.6689 119.4090 57.0335 42.2356 179.2394 80 T 3.8703 7.8746 115.7678 66.9725 68.3423 175.2757 81 H 4.9804 7.6804 114.5972 56.3751 29.4043 175.9533 82 T 4.5935 7.8018 108.0086 61.5010 70.6488 173.1748 83 S 4.5602 8.4434 117.9077 56.7330 62.2959 174.5461 84 V 3.3019 7.9292 128.4340 65.4993 31.3624 177.4762 85 A 3.9277 7.8104 120.2784 55.0664 18.2439 179.2189 86 L 3.8900 7.9948 118.8118 58.0836 42.2155 179.0594 87 R 3.9090 7.5927 117.3502 59.6869 29.8145 178.2409 88 D 4.3635 8.1982 117.4588 57.2997 41.0776 178.4065 89 A 4.1921 8.0143 121.2184 55.3670 18.3328 179.5215 90 C 4.2155 8.3554 114.7624 62.5030 27.8919 176.0962 91 A 4.0877 7.6811 121.8167 54.9514 17.9638 178.6301 92 E 4.0506 7.9201 115.9266 58.8375 29.8286 177.7307 93 L 4.0964 7.5200 119.7052 55.0157 41.9803 177.1449 94 S 4.3131 8.7497 118.3639 60.5699 63.8833 174.7187 95 A 4.3693 7.6779 120.8067 50.4135 19.3572 175.6996 96 P 4.4273 0.0000 0.0000 63.0032 33.0273 175.3172 97 L 5.2250 8.7512 124.0340 53.4735 45.2261 174.9695 98 I 4.8166 8.6741 127.5182 59.4806 39.7225 174.3680 99 E 4.7371 8.9030 128.8992 55.4163 31.0623 175.1131 100 V 4.8027 8.6473 126.2019 61.3333 35.0622 173.7204 101 H 4.8720 8.9578 124.2046 54.1800 32.0408 174.6043 102 I 3.8121 8.6408 124.2775 64.4261 37.8596 176.8958 103 S 4.6195 7.9140 114.2846 56.9373 64.4460 173.4958 104 N 4.4474 8.4151 119.8572 53.1620 37.7208 175.8815 105 V 3.6827 8.1354 125.8416 63.7133 31.7030 176.6425 106 H 4.5492 8.1902 116.4048 56.0313 29.0977 175.2145 107 A 4.6572 7.7594 121.5690 51.8128 19.9685 177.8122 108 R 4.6026 7.1935 115.8517 56.6132 30.6917 176.6036 109 E 4.1058 8.1725 124.5794 56.7905 30.3876 177.5705 110 E 3.9462 8.5887 121.0470 59.3859 29.7286 179.5222 111 F 4.3863 7.8164 112.3636 59.1175 38.0946 176.2214 112 R 3.5907 6.7677 118.7502 57.4384 30.0645 177.2773 113 R 4.1377 7.5545 115.8209 56.6493 30.3680 175.4799 114 H 4.8413 7.9420 118.2518 54.0161 31.8222 172.8377 115 S 4.7446 8.0680 120.3615 56.5826 64.6772 173.4297 116 Y 4.3042 8.5831 124.9202 60.0179 38.4181 177.2852 117 L 4.3654 7.8668 119.5488 56.7409 41.0891 178.5933 118 S 4.1867 7.9471 115.3589 61.5269 62.6337 175.1523 119 P 4.4497 0.0000 0.0000 64.8730 31.1727 177.7215 120 I 4.2033 7.0399 106.3515 60.3929 38.4860 176.0096 121 A 4.2857 7.0738 123.2644 52.1830 19.1411 177.8091 122 T 4.0599 8.8042 117.8565 66.3724 68.8689 175.0672 123 G 4.1354 7.6661 105.9467 44.8224 0.0000 171.1515 124 V 4.8985 8.0619 118.7728 61.0512 34.4078 174.3035 125 I 4.5255 8.8173 128.9629 59.5026 39.6642 174.8686 126 V 4.6138 8.0267 125.8410 62.1291 34.4162 175.4261 127 G 3.9168 8.8663 114.9953 46.0671 0.0000 173.5296 128 L 4.4845 7.8169 117.4846 53.7990 42.5003 178.7084 129 G 3.8548 7.8630 107.9753 46.2128 0.0000 175.7507 130 I 3.9691 8.3367 118.3685 64.4837 37.0944 177.7462 131 Q 4.2182 8.2705 119.9314 58.5431 28.6959 178.0276 132 G 3.6854 7.9188 106.9830 48.2189 0.0000 175.2034 133 Y 4.0513 7.8876 118.2184 61.0115 38.0694 178.7380 134 L 4.1225 7.9219 119.3810 57.6901 41.6877 179.3203 135 L 4.1285 8.4955 119.0999 57.2926 41.5138 179.2917 136 A 4.0659 7.7847 121.2016 54.8205 18.3026 179.5866 137 L 3.9695 7.9576 117.5850 58.1435 41.5507 179.7752 138 R 3.9378 7.7401 116.8065 59.4120 29.7622 177.6395 139 Y 4.1967 7.9161 119.5826 60.7562 38.9991 178.0342 140 L 4.0453 8.0705 119.0853 57.3953 41.4379 179.2982 141 A 4.0477 7.9710 120.4798 54.7072 18.3610 178.4880 142 E 4.3088 7.4621 113.6195 56.7778 29.7497 176.4177 143 H 4.2701 7.7102 122.0827 56.0228 29.9787 173.0724 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 L 8.04 4.41 0.00 1.36 1.67 0.92 0.55 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 4 I 8.12 4.74 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.93 0.00 0.00 5 V 9.83 4.36 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 6 N 8.88 5.19 0.00 2.69 2.68 0.00 0.00 6.21 6.99 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 7 V 8.55 4.65 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 1.10 0.00 0.00 0.96 0.00 0.00 8 I 8.91 4.86 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 1.17 0.00 0.00 9 N 9.44 5.39 0.00 2.67 2.81 0.00 0.00 6.43 7.59 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 10 G 9.16 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 0.00 0.00 0.00 0.00 11 P 0.00 4.48 0.00 2.08 2.06 0.00 4.06 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.31 0.00 12 N 9.45 4.53 0.00 3.01 3.02 0.00 0.00 6.85 6.25 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 13 L 7.67 4.23 0.00 1.89 1.80 1.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.00 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 0.00 0.00 0.00 15 R 7.84 4.40 0.00 2.07 1.96 0.00 3.31 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 16 L 7.67 4.13 0.00 1.74 1.86 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.12 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 18 R 7.23 4.26 0.00 2.16 1.97 0.00 3.31 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 *25 G 7.92 4.02 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 0.00 0.00 0.00 26 G 9.03 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.76 4.20 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 1.19 0.00 0.00 28 T 8.67 4.89 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 1.21 0.00 0.00 29 H 8.56 4.10 0.00 3.19 3.32 0.00 5.68 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 30 D 8.06 4.31 0.00 2.71 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 31 E 7.87 3.93 0.00 2.15 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 2.31 2.30 0.00 32 L 7.87 3.78 0.00 1.71 1.64 0.46 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.78 3.41 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 0.91 0.00 0.00 0.76 0.00 0.00 34 A 8.04 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.05 3.96 0.00 1.79 1.71 0.90 0.90 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 36 I 7.82 3.75 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.88 0.00 0.00 37 E 8.13 3.95 0.00 2.14 1.96 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 2.29 2.36 0.00 38 R 8.00 3.87 0.00 2.14 1.97 0.00 3.31 0.00 0.00 3.08 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 39 E 8.12 3.96 0.00 2.25 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 2.33 2.38 0.00 40 A 8.32 3.97 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 41 A 8.13 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.04 0.00 2.12 1.88 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 2.26 2.22 0.00 43 L 7.62 4.67 0.00 1.58 1.73 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.80 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 45 L 8.31 5.00 0.00 1.44 1.55 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.17 4.54 0.00 1.74 1.62 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.65 5.04 1.19 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 0.00 0.00 0.00 48 V 8.86 4.00 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 0.84 0.00 0.00 0.88 0.00 0.00 49 V 8.01 4.54 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 0.68 0.00 0.00 0.82 0.00 0.00 50 R 8.88 4.52 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.71 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.11 0.00 51 Q 8.52 5.26 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.09 0.00 52 S 9.07 4.79 0.00 4.07 3.66 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 53 D 8.90 4.71 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 54 S 7.96 4.56 0.00 3.82 3.59 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 55 E 8.72 3.85 0.00 2.05 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 2.34 2.36 0.00 56 A 7.91 3.89 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 57 Q 7.56 3.40 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.00 58 L 7.56 4.07 0.00 1.88 1.77 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.96 3.85 0.00 1.78 1.58 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.84 4.31 0.00 2.75 2.50 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 61 W 7.98 4.55 0.00 3.65 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 62 I 8.01 3.97 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.75 0.98 0.00 0.00 63 H 8.13 4.27 0.00 3.47 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.26 4.04 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 65 A 8.14 4.01 1.47 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 0.00 0.00 66 A 8.28 3.98 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.17 4.36 0.00 2.85 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 68 A 8.28 4.23 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 69 A 7.38 3.71 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.02 4.84 0.00 1.88 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 2.27 2.42 0.00 71 P 0.00 4.66 0.00 2.15 2.22 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 72 V 8.60 4.95 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 1.02 0.00 0.00 73 I 8.90 4.77 1.95 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 1.15 0.67 0.95 0.00 0.00 74 L 9.09 5.07 0.00 1.72 1.49 1.02 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.37 5.20 0.00 2.78 3.03 0.00 0.00 6.90 7.55 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 76 A 8.72 4.44 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 77 G 8.01 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 0.00 0.00 0.00 78 G 8.68 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.67 4.23 0.00 1.87 1.75 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.87 3.87 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 1.25 0.00 0.00 81 H 7.68 4.98 0.00 3.32 3.57 0.00 5.59 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.80 4.59 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 1.30 0.00 0.00 83 S 8.44 4.56 0.00 3.90 3.89 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 84 V 7.93 3.30 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 0.95 0.00 0.00 0.23 0.00 0.00 85 A 7.81 3.93 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 86 L 7.99 3.89 0.00 1.77 1.67 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.59 3.91 0.00 2.00 2.09 0.00 3.45 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 88 D 8.20 4.36 0.00 2.82 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 89 A 8.01 4.19 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 C 8.36 4.22 0.00 3.22 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 91 A 7.68 4.09 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 92 E 7.92 4.05 0.00 2.23 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 2.36 2.30 0.00 93 L 7.52 4.10 0.00 1.70 1.65 0.95 1.40 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 94 S 8.75 4.31 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 4.37 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 96 P 0.00 4.43 0.00 2.20 2.13 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 97 L 8.75 5.22 0.00 1.76 1.48 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.67 4.82 1.83 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 0.91 0.52 0.79 0.00 0.00 99 E 8.90 4.74 0.00 2.02 1.77 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 2.20 2.21 0.00 100 V 8.65 4.80 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 0.15 0.00 0.00 0.66 0.00 0.00 101 H 8.96 4.87 0.00 3.00 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.64 3.81 1.93 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 1.59 1.05 0.97 0.00 0.00 103 S 7.91 4.62 0.00 3.97 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 0.00 104 N 8.42 4.45 0.00 2.73 2.76 0.00 0.00 6.64 7.71 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 0.00 105 V 8.14 3.68 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 0.44 0.00 0.00 0.81 0.00 0.00 106 H 8.19 4.55 0.00 3.27 3.31 0.00 5.63 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 0.00 107 A 7.76 4.66 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.19 4.60 0.00 1.61 1.46 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 109 E 8.17 4.11 0.00 1.16 1.46 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 2.43 2.30 0.00 110 E 8.59 3.95 0.00 2.00 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 2.37 2.24 0.00 111 F 7.82 4.39 0.00 3.06 3.18 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 0.00 0.00 0.00 0.00 112 R 6.77 3.59 0.00 1.59 1.72 0.00 2.86 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 113 R 7.55 4.14 0.00 1.93 2.00 0.00 3.08 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 114 H 7.94 4.84 0.00 2.99 3.13 0.00 5.86 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 0.00 115 S 8.07 4.74 0.00 3.78 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 0.00 116 Y 8.58 4.30 0.00 3.18 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 0.00 117 L 7.87 4.37 0.00 1.70 1.72 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.95 4.19 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.45 0.00 2.05 2.14 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 120 I 7.04 4.20 1.89 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 1.49 0.60 0.94 0.00 0.00 121 A 7.07 4.29 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 0.00 122 T 8.80 4.06 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 1.23 0.00 0.00 123 G 7.67 4.14 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 0.00 0.00 0.00 124 V 8.06 4.90 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 0.95 0.00 0.00 0.97 0.00 0.00 125 I 8.82 4.53 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.85 0.00 0.00 126 V 8.03 4.61 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 0.82 0.00 0.00 0.92 0.00 0.00 127 G 8.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.82 4.48 0.00 1.62 1.68 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.34 3.97 1.92 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 1.53 0.84 0.95 0.00 0.00 131 Q 8.27 4.22 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 132 G 7.92 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 0.00 133 Y 7.89 4.05 0.00 3.23 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 0.00 134 L 7.92 4.12 0.00 1.83 1.75 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.50 4.13 0.00 1.67 1.73 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.78 4.07 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 L 7.96 3.97 0.00 2.00 1.77 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.74 3.94 0.00 2.01 2.15 0.00 3.30 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 139 Y 7.92 4.20 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.07 4.05 0.00 1.94 1.74 0.99 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.97 4.05 1.34 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 0.00 0.00 142 E 7.46 4.31 0.00 1.83 1.80 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 2.25 2.31 0.00 143 H 7.71 4.27 0.00 2.84 2.99 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.