NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3366 8.1693 120.6292 54.9462 43.1134 175.6712 8 H 4.8494 8.1067 114.9908 53.1108 31.4921 171.5703 9 K 4.4617 9.3382 122.6298 56.4789 33.8050 177.3393 10 E 4.9403 9.3169 123.2181 53.8911 33.7295 173.7498 11 P 4.8589 0.0000 0.0000 62.9665 32.4653 175.1245 12 A 4.9165 8.2707 122.5626 51.5458 22.9970 175.4644 13 T 4.7047 8.4881 108.3759 59.4700 72.3622 173.3866 14 L 4.2876 8.5652 125.7446 55.9079 42.2266 176.1823 15 I 4.2570 8.6157 127.4598 62.8917 38.5265 176.4010 16 K 4.4469 7.6431 119.9555 55.0604 35.5387 174.4884 17 A 4.2912 8.8995 130.8684 52.8068 18.4457 175.5299 18 I 4.3306 8.0070 122.5559 61.8581 39.8583 176.6898 19 D 4.6823 8.4117 118.2165 52.4671 42.0228 175.4747 20 G 3.8916 8.8720 106.2643 48.6793 0.0000 174.3218 21 D 4.7860 8.3886 119.3306 56.2771 42.3213 176.9974 22 T 5.7785 8.0301 107.2889 59.8889 72.5736 173.0296 23 E 5.1400 8.7184 121.4974 54.4410 34.4343 174.3826 24 K 4.8722 9.0267 124.3893 55.9843 33.5147 175.6848 25 L 5.2750 9.6161 126.8865 53.1713 46.4901 175.0165 26 M 4.9576 9.1872 122.1714 54.6308 33.9012 174.1900 27 Y 5.0418 9.0450 127.3631 56.4984 42.4731 175.3740 28 K 3.6807 9.3717 124.9511 57.3482 29.9192 175.8203 29 G 3.9721 8.5356 103.9513 45.4419 0.0000 173.7658 30 Q 4.8480 7.9714 118.7438 52.8151 32.3647 173.2734 31 P 4.9085 0.0000 0.0000 63.4931 32.3082 175.5764 32 M 4.8972 9.1477 121.6268 54.1787 37.1596 174.1506 33 T 4.6160 8.5811 119.5951 63.5347 70.2172 173.2989 34 F 5.0274 9.4681 125.6984 55.6984 41.7366 174.4917 35 R 5.0242 9.2609 124.6816 54.2601 32.1789 175.2585 36 K 4.5768 8.5501 126.7251 56.1743 32.5066 177.1279 37 L 3.9676 8.2256 125.6164 55.9302 42.7594 178.2167 38 L 4.3293 9.1010 120.5437 55.7657 39.1407 173.8846 39 V 5.1506 7.2956 110.3782 59.6659 36.1120 174.7745 40 D 4.8531 9.2922 121.8140 53.0972 44.0488 174.4251 41 T 4.7637 9.2445 117.1641 59.6471 70.8790 172.6306 42 P 4.5437 0.0000 0.0000 63.0896 32.7568 175.9955 43 E 3.9467 8.9789 122.6574 56.5041 30.6070 177.4131 *50 F 4.3952 8.5446 122.1544 58.1316 40.8655 175.3207 51 N 4.6571 8.1438 114.7697 53.4290 38.2002 174.8795 52 E 4.2555 7.8556 119.7252 55.1079 30.5391 175.7930 53 K 3.9014 8.2016 121.5916 57.8228 32.8054 176.3030 54 Y 3.8265 7.5672 120.1618 58.0382 36.3296 172.0455 55 G 3.4833 7.8642 108.0574 47.3429 0.0000 174.4696 56 P 3.8379 0.0000 0.0000 64.8900 30.8517 178.6350 57 E 4.0176 8.0457 116.8254 59.1254 29.4560 179.0476 58 A 4.0295 8.1842 120.8983 55.4367 18.4828 179.8211 59 S 4.2293 8.0802 113.3346 61.8291 62.9161 176.9322 60 A 4.1033 8.2515 123.4803 54.8758 18.0729 179.5459 61 F 3.9778 8.4351 119.2266 61.7189 39.4815 177.4484 62 T 3.8508 8.1999 115.2979 66.5968 68.2508 176.2491 63 K 3.8193 8.4093 121.8464 59.5748 32.1393 178.5981 64 K 3.8534 8.0622 119.5627 59.6260 32.1150 178.3837 65 M 3.8380 7.7200 118.4503 58.7947 31.9086 178.5273 66 V 3.8352 7.7580 111.2128 64.0045 31.9425 178.1630 67 E 4.1075 8.2182 118.0099 59.3194 29.3783 178.6494 68 N 4.4835 8.1791 115.0100 54.1493 39.1208 175.7816 69 A 4.3506 6.9458 122.3300 52.1427 18.9990 177.8216 70 K 4.1323 9.2989 122.6984 58.2972 32.7352 177.6148 71 K 4.5646 8.6596 120.3320 54.6525 35.4534 175.1588 72 I 4.9810 8.4033 127.9149 59.9503 39.5304 174.5479 73 E 5.1673 9.1205 124.6370 54.7033 34.0910 174.9641 74 V 4.6770 8.8984 115.4307 59.4985 35.3453 174.5744 75 E 5.0368 8.8614 124.2031 54.5565 32.3333 174.9077 76 F 4.6504 8.8220 125.7315 57.4052 40.2985 175.7334 77 D 4.9993 8.4181 120.7037 53.2798 43.3251 175.8425 78 K 4.2768 8.9690 117.2791 58.5735 33.1395 178.5979 79 G 4.1168 7.7448 110.4731 44.5067 0.0000 173.8781 80 Q 3.9505 8.6948 125.4383 56.7308 29.4920 176.6753 81 R 4.5423 8.4873 122.4881 56.4744 31.4344 176.0138 82 T 4.9255 7.4114 107.0036 59.6098 71.8895 173.5746 83 D 4.8387 8.6823 124.2197 51.9492 41.7180 176.7601 84 K 3.9051 8.2346 116.7950 59.2192 32.4046 176.8945 85 Y 4.3497 8.2948 117.5561 57.5414 37.9791 176.7845 86 G 3.8565 8.1870 107.8402 45.8312 0.0000 174.0166 87 R 4.2105 7.6647 120.1562 55.2224 31.3089 176.5999 88 G 3.4581 8.5355 111.5440 46.2316 0.0000 172.1795 89 L 5.4966 8.7336 122.9432 52.0776 43.7957 175.7925 90 A 4.3837 8.1212 123.3400 51.0968 22.8255 174.3044 91 Y 4.6854 8.4685 117.8901 57.6020 39.6217 174.8359 92 I 4.7926 8.7832 124.4607 59.7311 40.0672 174.1490 93 Y 5.0529 9.0292 123.9571 56.0415 41.4129 174.5565 94 A 4.8727 9.0276 126.0302 49.9341 20.9661 176.3065 95 D 4.4864 9.8195 125.4468 56.2753 38.8675 175.8033 96 G 3.9594 8.1446 104.0795 45.6310 0.0000 173.1510 97 K 4.3991 7.8836 120.7101 55.0641 33.1868 175.7339 98 M 3.8290 8.5785 123.8898 55.2480 33.0197 176.9065 99 V 3.6310 8.9095 127.3928 66.0394 31.7589 177.5254 100 N 4.3013 8.1038 115.8633 56.5730 38.3354 176.7936 101 E 3.9484 8.0462 119.7070 59.1834 29.4408 178.4896 102 A 4.0691 8.0899 120.8733 54.8149 18.3969 179.6359 103 L 3.5350 8.1935 117.8185 57.8506 41.7732 179.7861 104 V 3.8269 7.4602 118.9477 65.6191 31.3056 177.9641 105 R 4.3499 8.0913 117.1223 58.9394 29.8601 177.3419 106 Q 4.4136 7.2979 114.7247 54.6682 29.2557 175.8674 107 G 3.8318 8.3937 108.9199 46.5178 0.0000 174.8356 108 L 4.4793 7.7024 116.7599 54.0914 42.3894 176.0268 109 A 4.7465 7.4830 119.8939 50.7216 22.9977 175.2902 110 K 4.9446 8.6294 118.3548 54.4058 35.3520 176.2729 111 V 4.3500 9.1821 123.5329 63.3120 32.0188 175.0798 112 A 4.2708 9.2231 127.2667 51.2063 23.2017 175.0256 113 Y 3.1700 7.5997 113.8837 58.9813 35.1723 173.2725 114 V 3.9993 7.2403 118.8345 61.9789 31.2203 173.8867 115 Y 4.7431 8.0778 124.3770 55.5192 39.6979 175.6106 116 K 4.0898 8.6434 124.2849 58.1185 32.6222 177.4182 117 G 4.0724 9.1799 113.1630 45.8893 0.0000 172.8342 118 N 5.2935 8.0058 116.3615 52.2253 39.3597 174.5683 119 N 5.2314 7.8653 110.1157 52.5562 38.2184 177.0276 120 T 3.8679 8.8248 118.9387 67.8211 68.8532 175.0579 121 H 4.8367 8.0287 116.5122 55.7503 29.0811 176.4322 122 E 3.9690 8.3334 122.4700 59.8737 29.3436 179.0316 123 Q 3.9728 8.0396 117.2432 58.7946 28.8278 178.2792 124 L 3.9399 7.9361 120.8343 58.4048 42.0594 179.0113 125 L 4.0865 8.0443 118.7128 57.6989 41.5319 179.6781 126 R 3.9180 8.3763 118.6021 58.8955 29.9597 178.9328 127 K 3.8714 8.1745 119.3587 59.3875 32.1688 178.6572 128 A 4.2564 7.7433 121.9664 54.6681 18.3054 179.2581 129 E 3.8928 8.4538 117.6833 59.1930 29.6626 178.6353 130 A 3.7542 7.9774 120.8807 55.3799 18.1098 179.7391 131 Q 3.8375 7.9843 116.0034 58.9940 28.8392 178.6433 132 A 4.0253 8.0822 121.8974 55.1721 18.4251 179.6545 133 K 3.3870 8.2293 118.3506 59.1874 31.8743 179.0215 134 K 3.9157 8.0497 119.5597 59.1922 32.2084 177.7880 135 E 4.2534 8.3288 116.2351 55.4835 29.6801 176.4610 136 K 4.2113 7.7423 116.7597 56.1473 30.5844 175.4233 137 L 4.1845 8.1126 118.7440 55.8952 44.0221 177.8055 138 N 3.5180 9.2376 119.9086 53.9272 38.0533 176.2822 139 I 3.2333 5.4200 125.5924 64.7942 37.1667 176.5916 140 W 4.8424 8.0409 118.7107 56.6185 29.0725 176.6582 141 S 4.4554 8.2303 120.0740 58.5238 62.6850 173.9346 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 7 L 8.17 4.34 0.00 1.69 1.73 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.11 4.85 0.00 3.29 3.25 0.00 5.52 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 9 K 9.34 4.46 0.00 1.57 1.84 0.00 1.40 0.00 0.00 1.42 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.15 7.81 10 E 9.32 4.94 0.00 2.16 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 0.00 2.39 2.46 0.00 11 P 0.00 4.86 0.00 1.97 1.99 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 12 A 8.27 4.92 1.22 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 0.00 0.00 0.00 13 T 8.49 4.70 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 1.23 0.00 0.00 14 L 8.57 4.29 0.00 1.66 1.62 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.62 4.26 1.97 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 1.15 0.76 0.94 0.00 0.00 16 K 7.64 4.45 0.00 1.80 1.61 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.42 7.81 17 A 8.90 4.29 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 18 I 8.01 4.33 2.06 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 1.48 0.89 0.92 0.00 0.00 19 D 8.41 4.68 0.00 2.95 2.83 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 20 G 8.87 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 0.00 0.00 0.00 21 D 8.39 4.79 0.00 2.86 2.73 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 22 T 8.03 5.78 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 1.24 0.00 0.00 23 E 8.72 5.14 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 24 K 9.03 4.87 0.00 1.86 1.72 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.66 7.81 25 L 9.62 5.28 0.00 1.70 1.49 0.38 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.19 4.96 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 27 Y 9.05 5.04 0.00 3.30 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 28 K 9.37 3.68 0.00 1.53 1.61 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.93 0.21 7.81 29 G 8.54 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 0.00 0.00 0.00 30 Q 7.97 4.85 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 31 P 0.00 4.91 0.00 2.12 2.10 0.00 3.80 0.00 0.00 3.70 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 32 M 9.15 4.90 0.00 1.68 2.09 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 33 T 8.58 4.62 4.21 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 1.22 0.00 0.00 34 F 9.47 5.03 0.00 2.97 2.92 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 35 R 9.26 5.02 0.00 1.86 1.75 0.00 3.31 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 K 8.55 4.58 0.00 1.72 1.76 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.55 7.81 37 L 8.23 3.97 0.00 0.85 1.32 0.18 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.10 4.33 0.00 2.08 1.99 1.19 1.23 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 39 V 7.30 5.15 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 0.71 0.00 0.00 1.02 0.00 0.00 40 D 9.29 4.85 0.00 2.86 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 41 T 9.24 4.76 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 1.25 0.00 0.00 42 P 0.00 4.54 0.00 2.15 2.04 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 43 E 8.98 3.95 0.00 2.02 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 2.43 2.34 0.00 *50 F 8.54 4.40 0.00 3.04 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 51 N 8.14 4.66 0.00 2.91 3.02 0.00 0.00 6.05 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 52 E 7.86 4.26 0.00 2.17 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 2.31 2.24 0.00 53 K 8.20 3.90 0.00 1.56 1.59 0.00 1.73 0.00 0.00 1.53 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.71 0.83 7.81 54 Y 7.57 3.83 0.00 3.12 2.88 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 55 G 7.86 3.48 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 56 P 0.00 3.84 0.00 1.90 1.63 0.00 3.28 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.82 0.00 57 E 8.05 4.02 0.00 2.28 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 2.50 2.47 0.00 58 A 8.18 4.03 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 59 S 8.08 4.23 0.00 4.05 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 60 A 8.25 4.10 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 0.00 0.00 61 F 8.44 3.98 0.00 3.30 3.26 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 62 T 8.20 3.85 4.33 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 1.25 0.00 0.00 63 K 8.41 3.82 0.00 1.91 2.02 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.56 7.81 64 K 8.06 3.85 0.00 1.95 1.77 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.39 7.81 65 M 7.72 3.84 0.00 2.07 1.72 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 66 V 7.76 3.84 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 0.78 0.00 0.00 1.00 0.00 0.00 67 E 8.22 4.11 0.00 2.10 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 2.34 0.00 68 N 8.18 4.48 0.00 2.68 2.84 0.00 0.00 7.01 6.96 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 69 A 6.95 4.35 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 70 K 9.30 4.13 0.00 1.89 1.88 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 71 K 8.66 4.56 0.00 1.77 1.78 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 I 8.40 4.98 2.01 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 1.13 0.85 0.00 0.00 73 E 9.12 5.17 0.00 1.92 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 2.21 2.26 0.00 74 V 8.90 4.68 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 -0.14 0.00 0.00 0.58 0.00 0.00 75 E 8.86 5.04 0.00 2.18 2.31 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 2.48 2.54 0.00 76 F 8.82 4.65 0.00 3.05 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 77 D 8.42 5.00 0.00 2.75 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.97 4.28 0.00 1.92 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.47 7.81 79 G 7.74 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 80 Q 8.69 3.95 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 81 R 8.49 4.54 0.00 1.65 1.39 0.00 2.65 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 82 T 7.41 4.93 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 1.11 0.00 0.00 83 D 8.68 4.84 0.00 2.81 2.82 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 84 K 8.23 3.91 0.00 1.58 1.73 0.00 1.25 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.80 0.37 7.81 85 Y 8.29 4.35 0.00 3.20 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 86 G 8.19 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.66 4.21 0.00 2.22 1.80 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 88 G 8.54 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.73 5.50 0.00 1.55 1.57 0.87 0.69 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 90 A 8.12 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.47 4.69 0.00 3.00 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 92 I 8.78 4.79 1.79 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.17 0.88 0.00 0.00 93 Y 9.03 5.05 0.00 2.80 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 94 A 9.03 4.87 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 95 D 9.82 4.49 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 G 8.14 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 97 K 7.88 4.40 0.00 2.02 1.78 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 98 M 8.58 3.83 0.00 1.88 1.64 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 2.21 0.00 99 V 8.91 3.63 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 1.05 0.00 0.00 0.94 0.00 0.00 100 N 8.10 4.30 0.00 2.91 2.94 0.00 0.00 6.77 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 0.00 101 E 8.05 3.95 0.00 1.97 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 2.37 2.36 0.00 102 A 8.09 4.07 1.62 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 0.00 103 L 8.19 3.53 0.00 1.88 1.65 0.98 0.61 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 0.00 104 V 7.46 3.83 2.23 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 1.10 0.00 0.00 1.02 0.00 0.00 105 R 8.09 4.35 0.00 1.90 2.11 0.00 3.34 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.30 4.41 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.28 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 107 G 8.39 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 0.00 108 L 7.70 4.48 0.00 1.16 1.50 0.50 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.48 4.75 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 0.00 110 K 8.63 4.94 0.00 1.72 1.79 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.48 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.17 7.81 111 V 9.18 4.35 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 0.74 0.00 0.00 1.01 0.00 0.00 112 A 9.22 4.27 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 0.00 113 Y 7.60 3.17 0.00 3.18 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 0.00 114 V 7.24 4.00 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 0.94 0.00 0.00 0.98 0.00 0.00 115 Y 8.08 4.74 0.00 3.04 2.82 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 0.00 116 K 8.64 4.09 0.00 1.78 1.79 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 G 9.18 4.07 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 0.00 0.00 0.00 118 N 8.01 5.29 0.00 2.78 2.87 0.00 0.00 6.70 8.03 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 0.00 119 N 7.87 5.23 0.00 2.89 3.19 0.00 0.00 6.10 7.22 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 0.00 120 T 8.82 3.87 4.11 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 1.15 0.00 0.00 121 H 8.03 4.84 0.00 2.89 3.07 0.00 5.63 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.33 3.97 0.00 2.18 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 2.33 2.40 0.00 123 Q 8.04 3.97 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 L 7.94 3.94 0.00 1.73 1.80 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.04 4.09 0.00 1.79 1.74 1.04 0.89 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 0.00 126 R 8.38 3.92 0.00 1.95 1.95 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 127 K 8.17 3.87 0.00 1.86 1.97 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 A 7.74 4.26 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 0.00 129 E 8.45 3.89 0.00 2.10 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 0.00 2.07 2.63 0.00 130 A 7.98 3.75 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 0.00 131 Q 7.98 3.84 0.00 2.24 2.13 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 2.34 2.44 0.00 132 A 8.08 4.03 1.58 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 0.00 133 K 8.23 3.39 0.00 0.79 1.41 0.00 1.17 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 0.65 7.81 134 K 8.05 3.92 0.00 1.82 1.90 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.33 4.25 0.00 1.96 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 2.32 0.00 136 K 7.74 4.21 0.00 1.93 1.92 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.51 7.81 137 L 8.11 4.18 0.00 1.91 1.69 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.24 3.52 0.00 2.61 1.42 0.00 0.00 7.13 7.60 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 0.00 139 I 5.42 3.23 1.15 0.00 0.00 0.53 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 0.05 -0.31 0.00 0.00 140 W 8.04 4.84 0.00 3.42 3.11 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 0.00 141 S 8.23 4.46 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.