NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.9048 8.2077 122.4922 54.7735 42.7561 177.8963 16 R 4.4357 7.7856 112.9859 56.2194 31.4534 174.8878 17 L 4.4712 8.3898 124.3869 52.5268 45.1338 178.0582 18 L 3.4145 9.3649 111.5151 57.8272 37.9426 174.0674 19 N 4.0115 8.6411 129.7272 53.1638 35.8736 174.5769 20 T 3.9491 8.7646 108.8905 65.5303 68.5093 172.2305 21 N 4.2756 8.1730 119.9042 54.2983 37.6310 179.6873 22 V 4.5657 8.2175 123.7810 58.4405 32.3657 171.7394 23 D 4.7844 8.8927 126.2818 51.2115 41.9326 175.3192 24 G 4.5017 9.5057 105.4104 46.6276 0.0000 173.9939 25 N 4.6709 9.3742 120.2168 52.4707 35.9839 176.6928 26 I 4.5395 6.9786 114.8690 60.3151 36.5321 179.4483 27 K 3.5201 8.3588 128.4380 54.9189 31.1462 176.2047 28 I 3.9126 8.1117 121.4201 61.5169 35.8402 176.7292 29 V 3.4907 8.5613 120.3505 62.0974 29.4772 172.9144 *30 Y 4.4522 7.6891 116.8768 59.4604 38.4321 182.2961 31 A 4.3817 7.9400 123.8419 54.2649 18.2103 179.2561 32 L 4.4636 7.7762 121.5593 57.7376 40.7055 183.9011 33 T 5.2593 7.5550 120.7192 66.1781 69.3523 181.3716 34 T 4.1790 8.0747 114.3872 63.3251 68.7821 177.6940 35 I 4.0248 7.7578 120.4359 60.5282 33.3344 179.1937 36 K 4.5724 7.4859 126.2810 57.5670 30.4932 175.6893 37 G 3.6489 8.5063 119.4033 45.0809 0.0000 173.6500 38 V 4.4188 8.6960 119.0099 59.1204 33.4926 179.6837 39 G 4.4428 8.1031 111.6121 44.0802 0.0000 173.8113 40 R 4.2240 8.8541 122.2831 61.4074 29.3198 174.2605 41 R 4.7488 7.9287 119.8281 60.7346 31.3674 183.1016 *42 Y 4.2758 8.0316 122.7383 63.2317 36.9004 181.6271 43 S 4.3287 9.3648 123.2994 65.1467 62.0957 178.5108 44 N 4.7637 8.5223 125.2967 56.4589 37.4444 179.6823 45 L 4.0582 8.3321 123.6414 61.7029 41.1606 182.3396 46 V 3.9445 8.5402 120.9573 67.1751 31.2918 181.2297 47 C 4.7867 8.1686 117.7255 58.2658 27.8243 177.5955 48 K 4.5155 9.7464 124.6655 57.7045 34.4789 182.0664 49 K 4.1398 8.4291 119.9759 55.8486 31.4787 179.7622 50 A 4.2604 8.3236 123.1030 53.8179 18.1557 178.7992 51 D 4.5159 7.8796 116.1032 54.5687 38.1033 179.3784 52 V 3.9320 7.3561 118.0705 61.7297 32.2147 181.6671 53 D 4.6659 8.7216 126.4763 52.1941 37.8213 174.1791 54 L 3.7242 8.4984 128.7484 57.8796 41.3460 178.3544 *55 H 4.2339 8.6400 116.5200 58.3953 28.0420 179.0944 56 K 4.1318 8.4538 126.8672 54.9537 32.7836 179.5365 57 R 4.8270 8.4320 118.7367 57.2723 32.4636 177.1339 58 A 4.6313 8.9116 126.2919 52.8836 18.4945 181.1672 59 G 3.7946 9.6517 114.6207 50.7321 0.0000 173.7584 60 E 4.3006 7.8300 118.6532 55.1825 30.4073 181.5638 61 L 4.6956 8.2153 126.5677 53.4515 44.4069 171.3334 62 T 3.9678 8.1457 117.9137 61.0755 68.9582 173.9221 63 Q 4.1266 8.9701 127.3509 57.7169 28.5252 176.3593 64 E 4.1252 8.3291 115.2242 59.3866 31.2207 183.1174 65 E 4.2582 9.1589 117.1927 60.5122 29.4066 183.8719 66 L 4.1281 8.4604 124.6713 59.9237 42.6452 179.6169 67 E 4.2373 8.4147 121.6483 62.0054 29.5318 182.1027 68 R 4.2757 9.6029 124.3801 61.4938 29.6578 181.5336 69 I 4.1048 7.7194 121.5284 65.1673 35.2962 181.6519 70 V 4.3224 7.7165 119.9132 63.7395 32.2931 183.5422 71 Q 4.7490 8.9969 122.4486 59.2139 27.2781 184.3975 72 I 3.9140 6.8199 118.5940 66.5634 36.5089 178.8174 73 M 4.5948 8.1707 119.8603 54.8496 30.8946 179.2542 74 Q 5.8366 7.5229 122.4576 56.4866 30.9671 177.3770 75 N 5.0731 9.4004 118.5907 54.2916 43.5725 178.3151 76 P 4.5576 0.0000 0.0000 66.1079 31.5827 182.2661 77 T 4.3909 10.2004 110.7315 61.7264 68.0673 176.1391 *78 H 5.0979 8.0065 121.1744 56.7209 31.4365 176.2830 *79 Y 4.5043 7.0826 114.9557 57.2285 34.0540 173.1237 80 K 4.8388 8.6630 135.0000 51.8387 33.5556 175.7618 81 I 3.3524 7.9458 117.6873 60.8507 34.2291 176.0263 82 P 4.7354 0.0000 0.0000 62.2395 30.2970 178.1742 83 A 3.9576 7.8163 126.4085 52.3675 17.6125 178.8762 *84 W 4.4529 7.6190 122.5376 55.9290 34.2655 177.9100 *85 F 4.7091 7.8161 120.4155 57.6742 38.6116 180.5692 86 L 4.6290 8.4658 122.8866 54.7503 43.7140 174.5247 *94 D 4.4232 8.3167 116.1804 53.2873 39.9183 176.4723 95 G 3.9332 8.5222 116.6734 45.8642 0.0000 169.9161 96 K 4.4995 7.8809 119.0958 55.2735 35.5578 177.5213 97 D 4.9478 7.7621 117.9984 54.1636 47.3800 179.2399 *98 Y 4.5979 7.7249 120.3646 57.1376 39.5473 178.5068 *99 H 4.5220 9.5116 115.0867 56.3279 28.3433 178.2198 100 T 4.6934 7.4456 111.0723 61.9902 69.3577 178.0629 101 L 4.4536 7.6610 124.5201 55.3845 47.5970 173.0114 102 A 5.4280 8.2919 126.9523 55.1503 15.9569 178.9597 *103 N 4.7127 9.1476 121.8488 54.7679 38.2472 177.0885 104 N 4.9490 7.9870 116.8243 53.8487 37.7946 182.6118 105 V 4.0984 7.2982 123.9440 65.2562 31.3637 182.2960 106 E 4.0916 7.9522 118.6905 61.7813 30.4130 182.0698 107 S 4.3821 8.3493 121.6857 64.2609 62.2516 179.6941 108 K 4.2697 7.9165 128.9400 60.1773 31.3321 181.3310 109 L 4.2141 8.3153 125.4175 60.3098 40.5759 182.7503 110 R 4.1683 8.4557 123.1941 62.2012 29.2963 180.8659 111 D 4.7094 8.2435 124.5194 59.2834 39.6618 181.3136 112 D 4.6578 8.3605 124.9841 58.4543 40.0049 180.8525 113 L 4.3952 8.3521 125.6527 58.6632 40.5411 181.0920 114 E 4.4624 7.7037 118.6801 61.9899 30.6559 184.1379 115 R 4.2989 8.1001 123.3743 62.0598 28.2628 180.9021 116 L 4.5947 8.4081 124.2431 59.1711 41.9965 180.3124 117 K 4.6631 7.8793 131.5497 55.0624 30.1482 179.8655 118 K 4.5930 8.4270 135.0000 55.8346 33.2946 176.8442 119 I 3.6879 5.4200 121.6220 61.7315 36.4313 175.8164 120 R 4.1048 7.8653 125.1076 56.2780 29.9627 181.2115 121 A 4.6511 8.3747 126.9907 50.1197 21.7233 176.8643 *122 H 4.0362 9.2009 122.8767 57.7390 28.0122 173.4413 123 R 4.7069 8.0575 113.5902 56.2065 29.4959 180.3136 124 G 4.0115 10.3840 107.5857 48.2878 0.0000 176.6203 125 I 4.2641 8.0045 124.2404 64.8550 35.4587 180.4487 126 R 4.4242 8.1353 120.7303 61.7738 29.1479 184.1901 *127 H 4.5207 9.4277 119.7732 61.1503 28.1860 183.3404 *128 F 4.3990 8.1202 124.4725 62.0804 37.9719 179.1733 *129 W 4.5244 8.1754 123.5032 61.7519 28.1901 179.2854 130 G 4.3029 7.7461 107.7590 45.6995 0.0000 174.5631 131 L 4.2941 7.7577 121.5254 53.6793 41.8236 181.9841 132 R 4.1779 8.3574 119.8475 57.3778 30.0516 179.3730 133 V 3.7682 8.5647 119.7977 64.1822 31.8585 177.8135 134 R 4.7792 7.5702 115.6381 53.7972 34.9279 181.5983 135 G 3.5184 10.0527 107.5518 47.8381 0.0000 176.5702 136 Q 3.2595 9.3489 123.1828 56.5128 25.0315 175.5265 *137 H 4.5104 8.2412 124.2367 54.0295 26.3579 174.2443 138 T 4.5557 7.6636 116.0441 60.3033 68.5327 177.1397 139 K 4.5065 8.4160 130.9268 53.5994 33.0022 173.1900 140 T 4.8053 7.7180 115.2009 62.8589 76.4400 177.0284 141 T 4.3171 7.5109 117.4192 60.7502 69.6660 175.9194 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 15 L 8.21 4.90 0.00 1.45 1.62 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.79 4.44 0.00 1.84 1.69 0.00 3.20 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.26 0.00 17 L 8.39 4.47 0.00 1.68 1.47 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 L 9.36 3.41 0.00 1.64 1.77 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.64 4.01 0.00 2.86 2.51 0.00 0.00 6.80 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 20 T 8.76 3.95 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 21 N 8.17 4.28 0.00 2.66 2.80 0.00 0.00 6.73 7.83 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 22 V 8.22 4.57 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 0.91 0.00 0.00 0.93 0.00 0.00 23 D 8.89 4.78 0.00 2.59 2.60 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 24 G 9.51 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 25 N 9.37 4.67 0.00 2.84 3.13 0.00 0.00 6.32 7.72 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 26 I 6.98 4.54 1.87 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 1.27 1.23 0.91 0.00 0.00 27 K 8.36 3.52 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.98 7.81 28 I 8.11 3.91 1.87 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 1.16 0.53 0.91 0.00 0.00 29 V 8.56 3.49 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 0.82 0.00 0.00 0.93 0.00 0.00 *30 Y 7.69 4.45 0.00 2.32 2.20 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 0.00 31 A 7.94 4.38 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 32 L 7.78 4.46 0.00 1.76 1.55 0.92 0.77 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 33 T 7.55 5.26 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 34 T 8.07 4.18 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 35 I 7.76 4.02 1.87 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 1.16 0.54 0.91 0.00 0.00 36 K 7.49 4.57 0.00 1.69 1.76 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.07 7.81 37 G 8.51 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 0.00 0.00 0.00 38 V 8.70 4.42 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 0.74 0.00 0.00 0.93 0.00 0.00 39 G 8.10 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 0.00 0.00 0.00 0.00 40 R 8.85 4.22 0.00 1.92 1.88 0.00 3.23 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 41 R 7.93 4.75 0.00 1.78 1.92 0.00 3.23 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 0.00 *42 Y 8.03 4.28 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.36 4.33 0.00 3.73 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 44 N 8.52 4.76 0.00 2.81 2.60 0.00 0.00 6.49 7.79 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 45 L 8.33 4.06 0.00 1.65 1.66 0.92 0.89 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 46 V 8.54 3.94 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 0.71 0.00 0.00 0.93 0.00 0.00 47 C 8.17 4.79 0.00 2.75 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 48 K 9.75 4.52 0.00 1.61 1.74 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.23 7.81 49 K 8.43 4.14 0.00 1.65 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.27 7.81 50 A 8.32 4.26 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 51 D 7.88 4.52 0.00 2.82 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 52 V 7.36 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 53 D 8.72 4.67 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.50 3.72 0.00 1.65 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.64 4.23 0.00 2.92 3.04 0.00 7.21 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 56 K 8.45 4.13 0.00 1.39 1.77 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.32 7.81 57 R 8.43 4.83 0.00 1.56 1.19 0.00 3.23 0.00 0.00 3.23 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 58 A 8.91 4.63 1.01 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 59 G 9.65 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.83 4.30 0.00 1.96 1.76 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 2.23 2.12 0.00 61 L 8.22 4.70 0.00 1.65 1.44 0.92 0.86 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 62 T 8.15 3.97 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 63 Q 8.97 4.13 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.88 0.00 0.00 0.00 0.00 0.00 2.37 1.93 0.00 64 E 8.33 4.13 0.00 1.98 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 2.23 1.87 0.00 65 E 9.16 4.26 0.00 2.00 1.50 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 2.25 2.21 0.00 66 L 8.46 4.13 0.00 1.68 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.41 4.24 0.00 1.96 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 2.25 2.21 0.00 68 R 9.60 4.28 0.00 1.82 1.96 0.00 3.24 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 69 I 7.72 4.10 1.87 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 1.50 0.54 0.91 0.00 0.00 70 V 7.72 4.32 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 0.91 0.00 0.00 0.93 0.00 0.00 71 Q 9.00 4.75 0.00 2.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 72 I 6.82 3.91 1.87 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 1.15 1.53 0.91 0.00 0.00 73 M 8.17 4.59 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 74 Q 7.52 5.84 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.03 1.66 0.00 75 N 9.40 5.07 0.00 2.63 2.67 0.00 0.00 6.76 5.72 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 76 P 0.00 4.56 0.00 1.99 2.06 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.58 0.00 77 T 10.20 4.39 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 *78 H 8.01 5.10 0.00 2.77 2.93 0.00 7.18 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 Y 7.08 4.50 0.00 2.35 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 0.00 0.00 0.00 80 K 8.66 4.84 0.00 1.90 1.62 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.16 0.98 7.81 81 I 7.95 3.35 1.87 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 1.16 0.99 0.91 0.00 0.00 82 P 0.00 4.74 0.00 1.97 2.00 0.00 3.82 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 1.94 1.56 0.00 83 A 7.82 3.96 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 *84 W 7.62 4.45 0.00 2.46 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 0.00 0.00 0.00 *85 F 7.82 4.71 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 0.00 0.00 0.00 86 L 8.47 4.63 0.00 1.62 1.44 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *94 D 8.32 4.42 0.00 2.72 2.58 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 95 G 8.52 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 96 K 7.88 4.50 0.00 1.74 1.51 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.95 7.81 97 D 7.76 4.95 0.00 2.63 2.52 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 *98 Y 7.72 4.60 0.00 2.35 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 H 9.51 4.52 0.00 2.98 3.30 0.00 7.12 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.45 4.69 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 0.00 101 L 7.66 4.45 0.00 1.59 1.02 0.92 0.68 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 0.00 102 A 8.29 5.43 1.14 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 *103 N 9.15 4.71 0.00 2.76 2.72 0.00 0.00 6.30 7.99 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 0.00 104 N 7.99 4.95 0.00 2.62 2.77 0.00 0.00 6.99 7.67 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 0.00 105 V 7.30 4.10 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 0.71 0.00 0.00 0.93 0.00 0.00 106 E 7.95 4.09 0.00 1.97 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 2.32 2.00 0.00 107 S 8.35 4.38 0.00 3.72 3.94 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 0.00 108 K 7.92 4.27 0.00 1.89 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.33 7.81 109 L 8.32 4.21 0.00 1.63 1.69 0.92 1.22 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 0.00 110 R 8.46 4.17 0.00 1.80 2.01 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 111 D 8.24 4.71 0.00 2.67 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 0.00 112 D 8.36 4.66 0.00 2.68 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 0.00 113 L 8.35 4.40 0.00 1.63 1.71 0.92 1.22 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 0.00 114 E 7.70 4.46 0.00 2.00 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 2.19 2.17 0.00 115 R 8.10 4.30 0.00 1.88 1.92 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 116 L 8.41 4.59 0.00 1.64 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.88 4.66 0.00 1.84 1.69 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.35 7.81 118 K 8.43 4.59 0.00 1.70 1.58 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 0.76 7.81 119 I 5.42 3.69 1.87 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 1.16 1.10 0.91 0.00 0.00 120 R 7.87 4.10 0.00 1.98 1.90 0.00 3.18 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 1.46 1.43 0.00 121 A 8.37 4.65 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 *122 H 9.20 4.04 0.00 2.94 3.04 0.00 7.15 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.06 4.71 0.00 1.78 1.77 0.00 3.17 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 1.43 1.15 0.00 124 G 10.38 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 0.00 125 I 8.00 4.26 1.87 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 1.50 0.70 0.91 0.00 0.00 126 R 8.14 4.42 0.00 1.81 1.96 0.00 3.21 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *127 H 9.43 4.52 0.00 3.01 3.00 0.00 7.18 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 F 8.12 4.40 0.00 2.37 2.21 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 *129 W 8.18 4.52 0.00 2.56 2.26 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 0.00 130 G 7.75 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.76 4.29 0.00 1.68 1.46 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.36 4.18 0.00 1.82 1.75 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 133 V 8.56 3.77 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 0.86 0.00 0.00 0.93 0.00 0.00 134 R 7.57 4.78 0.00 1.77 1.70 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 135 G 10.05 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 9.35 3.26 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.49 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 *137 H 8.24 4.51 0.00 2.92 2.92 0.00 7.16 0.00 0.00 0.00 0.00 6.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.66 4.56 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 0.00 139 K 8.42 4.51 0.00 1.71 1.62 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.22 0.95 7.81 140 T 7.72 4.81 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 0.00 141 T 7.51 4.32 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 * Residues marked with a * may have inaccurate shift predictions.