NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0473 8.0544 114.0568 61.2115 31.5943 174.4797 2 H 3.9001 8.2338 127.2252 52.8389 29.9573 170.8566 3 L 3.5877 7.8719 135.0000 54.6550 39.9694 174.8339 4 T 3.9838 8.2368 114.1248 60.8409 70.8149 174.9420 5 A 3.9315 8.5750 123.3747 55.6495 18.2305 180.0068 6 A 3.9516 7.8974 118.5034 55.1586 18.4817 179.6423 7 E 3.8585 7.9688 116.9479 59.5380 29.4856 179.6751 8 K 3.9115 8.1073 118.7728 59.0944 31.9603 179.2642 9 S 4.2197 7.9027 114.0954 60.3029 62.8597 176.1925 10 A 4.0171 8.0442 124.7904 55.3117 18.0120 179.5524 11 I 3.4006 7.5847 117.8914 64.5899 37.1944 178.7412 12 L 4.1293 8.1929 119.9565 57.8367 41.2102 179.2116 13 D 4.4520 8.2604 118.3358 57.4875 41.0510 178.5535 14 L 4.1873 7.8838 119.9297 57.9808 42.2407 178.6187 15 W 4.2715 8.9277 128.7156 60.5229 30.3961 177.9274 16 G 3.8708 8.3415 105.1504 47.0213 0.0000 174.5785 17 K 4.3016 7.9399 118.5739 56.0482 33.6664 176.8872 18 V 3.5025 6.8227 120.6571 62.4337 32.2042 175.5607 19 N 4.5163 8.2158 124.5856 52.0528 39.3470 175.6455 20 V 3.5731 8.2152 128.3943 66.1560 31.7120 177.8594 21 G 3.5970 8.0469 104.6924 47.7771 0.0000 175.3795 22 E 3.8576 8.2587 120.8414 59.2246 29.5506 179.4074 23 I 3.5984 7.5614 119.9388 64.3853 37.1358 178.8405 24 G 3.6173 8.2666 106.3290 47.5069 0.0000 175.7461 25 A 3.9554 7.9182 123.0306 54.9055 18.4063 179.4273 26 E 3.8486 8.3190 117.0573 59.5263 29.5894 179.4702 27 A 3.9146 8.4316 120.7524 55.2783 18.3958 179.5298 28 L 4.0171 8.1113 118.9278 58.0901 42.0101 179.3269 29 G 3.5754 8.2275 105.8898 47.8894 0.0000 175.9378 30 R 3.8897 8.1823 120.4276 58.5476 30.0296 178.5564 31 L 4.0513 7.9078 120.3945 58.4538 41.4857 179.1198 32 L 4.1022 7.6436 119.8390 56.4517 41.3652 179.6481 33 V 3.5127 7.1792 117.8562 66.0062 31.6889 178.0683 34 V 3.5019 7.8294 116.8544 64.3673 32.7764 175.5620 35 Y 4.1671 7.2976 116.5665 54.4167 37.7586 174.1056 36 P 4.4820 0.0000 0.0000 64.2890 31.9333 177.7772 37 W 4.3742 8.0018 115.2634 59.3341 27.6797 178.1626 38 T 4.3099 7.3527 110.7835 64.6119 67.9593 176.1622 39 Q 4.2520 8.1672 121.4887 59.1551 28.4618 178.5753 40 R 3.8060 7.7120 118.4241 59.5983 29.9854 177.9665 41 F 4.1745 7.9612 115.6018 58.3843 39.4697 175.6933 42 F 4.5128 8.2381 119.0916 56.7218 39.7791 176.9390 43 E 4.1401 8.1828 120.2161 58.4239 29.8472 178.1792 44 K 4.2702 7.8784 117.1628 58.2913 32.5354 177.2364 45 F 4.8211 7.7360 117.8717 57.7020 40.1094 175.2021 46 G 3.9281 7.6662 104.9140 43.8281 0.0000 172.4262 47 D 4.4829 8.6890 121.3727 54.5724 41.7591 176.8262 48 L 4.8503 8.5004 125.9844 54.6971 42.9149 177.4355 49 S 4.5341 8.8268 112.4026 58.2948 63.4123 173.6246 50 S 4.5772 7.5971 114.0526 56.0649 65.9749 175.1138 51 A 3.9506 8.7057 123.4619 55.3899 17.7468 180.0038 52 S 3.9714 8.0163 110.7733 61.6635 62.3672 176.2085 53 A 4.0190 7.6950 121.6840 54.9952 18.1909 179.4840 54 I 3.8403 7.7511 118.5963 64.8906 37.0601 178.4472 55 M 4.1381 8.2769 117.9740 57.3832 31.8816 177.9261 56 S 4.5767 7.4496 113.3197 57.6579 64.1553 173.7764 57 N 4.4226 7.5080 122.2843 52.9658 39.5283 175.6528 58 A 3.9721 8.5289 127.6089 55.4025 18.4676 179.1989 59 H 3.8389 8.0181 114.6707 58.4369 28.5053 178.1200 60 V 3.4276 7.5567 119.7409 65.8442 31.3804 177.9544 61 K 3.8423 7.6752 117.6725 59.5901 32.0085 179.2976 62 S 4.0561 7.7912 112.8467 61.4877 62.2865 175.6261 63 H 4.2913 8.5895 121.5974 59.0870 29.5574 177.4324 64 G 3.5945 8.3913 107.6090 47.7881 0.0000 175.4484 65 A 4.0087 8.1699 123.4120 54.7067 18.4894 179.7258 66 K 3.9092 7.8862 117.8713 59.5108 32.2784 179.1805 67 V 3.6667 8.0503 118.8789 66.2484 31.4907 178.0052 68 L 4.2139 8.2634 118.4689 57.8483 41.4004 179.4317 69 A 4.2523 8.3130 121.1550 55.0850 18.3121 179.7098 70 S 4.2375 8.2575 112.3975 60.9874 63.4417 176.3915 71 F 4.2637 8.6467 124.5913 61.3605 38.9210 176.6421 72 S 3.9396 8.7411 111.5463 61.6262 62.4446 175.3102 73 E 4.1245 8.4121 121.7707 59.5580 29.3049 179.0063 74 G 3.6514 8.1037 105.3390 47.9006 0.0000 175.4143 75 L 3.8633 7.2479 119.7397 56.2644 41.5198 178.4141 76 K 4.3641 7.2932 117.4946 56.6942 33.6106 176.6098 77 H 4.9135 8.0976 117.3304 54.7122 29.8212 175.2655 78 L 3.8991 8.1028 120.8954 57.9104 41.8627 179.4025 79 Q 4.1033 7.9258 114.8993 58.1296 29.7784 175.6270 80 D 4.7836 8.0452 118.0729 51.8491 41.3073 175.5013 81 L 4.1167 7.8386 123.7258 57.7595 42.0178 179.3572 82 K 4.0716 8.0303 117.0846 59.3160 32.2110 179.1891 83 G 4.0371 8.0226 106.6418 47.6763 0.0000 175.3319 84 T 3.6371 7.4596 117.5529 65.9871 68.7313 175.6964 85 F 4.5967 8.0705 116.7171 57.3897 39.2390 177.6224 86 A 4.0341 7.7485 123.3070 55.1973 18.1399 180.3676 87 K 4.0343 7.9823 116.5946 59.4266 32.1807 179.4402 88 L 4.1583 7.9486 118.9791 57.3816 41.6239 179.0958 89 S 4.2554 8.2831 114.8435 60.7780 62.3897 175.6637 90 E 3.9193 8.0824 121.7267 59.2917 29.5025 178.4382 91 L 3.9197 7.9801 120.0661 58.7424 42.1578 178.7621 92 H 4.2980 8.6493 116.3428 58.7752 28.5036 177.7296 93 C 4.1842 8.7269 118.9431 62.8596 27.9524 175.6017 94 D 4.5479 8.3092 118.6869 56.4761 41.2731 178.3889 95 K 4.1053 8.0670 116.9533 58.6466 32.3818 177.8180 96 L 4.4371 7.5750 115.8499 54.2486 42.9022 176.0130 97 H 4.2470 8.0012 113.1559 56.7782 25.3989 175.0734 98 V 3.8185 7.6732 119.7030 61.3112 31.8523 174.9765 99 D 4.2639 8.6962 126.9317 54.0763 41.5898 175.4093 100 P 3.4041 0.0000 0.0000 65.2487 31.8475 178.0526 101 E 3.8845 8.5395 119.0095 59.3842 29.4230 178.6165 102 N 4.4062 8.1492 116.3161 56.0200 38.5114 177.3883 103 F 4.5417 7.4877 119.6158 60.6199 38.8639 177.8039 104 R 4.0871 7.9903 117.5219 58.8814 29.7654 179.0632 105 L 3.9112 7.7846 118.5977 57.5987 41.6758 179.0164 106 L 4.0674 8.1472 120.4534 58.0632 42.1241 179.0451 107 G 3.7063 8.1976 105.6688 48.1795 0.0000 175.3729 108 N 4.4775 8.4991 118.9996 56.2689 38.5210 177.4904 109 M 4.1543 8.3661 120.4192 57.9932 31.8938 178.5308 110 L 3.9647 7.9722 120.8967 58.0375 42.1997 178.9190 111 T 3.7419 7.7859 115.6083 66.7281 68.4102 176.3568 112 I 3.5780 7.6025 121.1150 64.3482 37.1545 178.2193 113 A 3.9480 8.2932 122.0108 55.2445 18.2301 179.7682 114 I 3.4464 7.6714 111.4868 63.9347 37.2452 178.3280 115 A 3.7069 7.0949 121.7540 54.9072 18.2036 178.8155 116 H 4.2489 8.0678 116.2805 59.6285 30.0568 176.8376 117 H 4.2543 8.0029 116.5905 57.0384 29.6326 175.3207 118 H 4.8965 8.0652 119.3715 54.4568 28.9832 172.9881 *119 P 4.2777 0.0000 0.0000 65.6224 31.1811 179.8246 120 S 4.4163 8.0082 113.5332 60.9312 63.0165 175.5039 121 E 4.2470 8.2188 117.7700 57.6488 29.9918 177.0218 122 F 4.5504 7.5181 122.6355 57.0081 37.8528 175.4503 123 T 4.3046 7.3404 115.7060 59.8602 71.7027 173.6127 124 P 4.1453 0.0000 0.0000 66.3276 31.4055 178.6194 125 C 4.1365 7.9846 114.5786 63.1834 27.9783 176.2161 126 T 3.9321 7.7670 117.2572 66.5321 68.0132 176.6076 127 Q 3.6001 7.8114 121.4727 58.7677 28.8590 178.1689 128 A 3.9824 7.9439 121.6019 55.1747 18.5925 179.3281 129 A 3.8993 7.8141 118.7883 55.5711 18.3849 179.9548 130 F 4.0867 8.1942 115.8147 60.4010 38.8902 178.1378 131 Q 4.1228 8.4437 118.1238 58.8458 28.4572 178.7102 132 K 3.9594 7.8318 119.6603 59.3931 32.0645 179.5530 133 V 3.6334 7.6826 118.3225 66.2842 31.4393 178.0291 134 T 4.0929 8.3417 109.4181 65.0206 68.4218 176.0414 135 A 4.1033 8.4834 123.8051 54.8265 18.3185 179.8656 136 G 3.5339 8.8178 105.2511 47.8510 0.0000 176.2144 137 V 3.2841 8.2534 120.9095 65.4033 31.6092 177.7500 138 A 3.9108 8.1132 120.7564 55.5708 18.0207 179.4221 139 N 4.3436 8.0524 113.0211 56.4237 38.3258 177.2690 140 A 4.1462 8.2444 122.4486 54.9799 17.9436 179.7055 141 L 3.7826 7.8851 117.4040 57.2156 41.3134 178.5568 142 A 4.6626 7.5735 118.0856 53.0506 18.8837 178.2175 143 H 4.1585 7.7690 116.2973 58.7008 29.9701 175.0499 144 K 4.1723 7.9316 123.7920 56.5259 32.0130 176.4305 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 1 V 8.05 4.05 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 0.83 0.00 0.00 0.92 0.00 0.00 2 H 8.23 3.90 0.00 3.13 3.13 0.00 6.04 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 3 L 7.87 3.59 0.00 1.74 1.63 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.24 3.98 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 1.19 0.00 0.00 5 A 8.57 3.93 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 6 A 7.90 3.95 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 7 E 7.97 3.86 0.00 2.07 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 2.28 2.30 0.00 8 K 8.11 3.91 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.47 7.81 9 S 7.90 4.22 0.00 3.99 4.09 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 10 A 8.04 4.02 1.42 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 11 I 7.58 3.40 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.30 0.51 0.00 0.00 12 L 8.19 4.13 0.00 1.69 1.77 0.91 1.29 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 13 D 8.26 4.45 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 14 L 7.88 4.19 0.00 2.17 2.25 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.93 4.27 0.00 3.86 3.25 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 16 G 8.34 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 17 K 7.94 4.30 0.00 1.84 1.91 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.43 7.81 18 V 6.82 3.50 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 -0.21 0.00 0.00 0.50 0.00 0.00 19 N 8.22 4.52 0.00 2.69 2.57 0.00 0.00 6.77 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 V 8.22 3.57 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 1.11 0.00 0.00 0.98 0.00 0.00 21 G 8.05 3.60 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 22 E 8.26 3.86 0.00 1.83 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 2.41 2.42 0.00 23 I 7.56 3.60 1.72 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.83 0.00 0.00 24 G 8.27 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 25 A 7.92 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.85 0.00 2.22 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 2.39 2.82 0.00 27 A 8.43 3.91 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 28 L 8.11 4.02 0.00 1.89 1.61 0.80 0.88 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 29 G 8.23 3.58 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 0.00 30 R 8.18 3.89 0.00 1.82 1.89 0.00 3.07 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 31 L 7.91 4.05 0.00 1.92 1.86 1.04 0.77 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 32 L 7.64 4.10 0.00 1.64 1.68 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.18 3.51 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 0.70 0.00 0.00 0.90 0.00 0.00 34 V 7.83 3.50 1.48 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 -0.11 0.00 0.00 0.74 0.00 0.00 35 Y 7.30 4.17 0.00 2.63 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 36 P 0.00 4.48 0.00 2.23 2.11 0.00 3.89 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 2.16 1.96 0.00 37 W 8.00 4.37 0.00 3.59 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.35 4.31 4.46 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 1.06 0.00 0.00 39 Q 8.17 4.25 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 40 R 7.71 3.81 0.00 1.73 1.66 0.00 3.13 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.50 0.00 41 F 7.96 4.17 0.00 2.84 2.44 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 42 F 8.24 4.51 0.00 2.96 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 0.00 0.00 0.00 43 E 8.18 4.14 0.00 2.14 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 2.50 2.23 0.00 44 K 7.88 4.27 0.00 1.92 1.96 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.25 1.58 7.81 45 F 7.74 4.82 0.00 3.19 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 46 G 7.67 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 47 D 8.69 4.48 0.00 2.68 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 48 L 8.50 4.85 0.00 1.75 1.62 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.83 4.53 0.00 3.96 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 50 S 7.60 4.58 0.00 4.11 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 51 A 8.71 3.95 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 52 S 8.02 3.97 0.00 3.89 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 53 A 7.69 4.02 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 54 I 7.75 3.84 1.96 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 1.53 0.78 0.92 0.00 0.00 55 M 8.28 4.14 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.81 0.00 56 S 7.45 4.58 0.00 3.98 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 57 N 7.51 4.42 0.00 2.90 2.76 0.00 0.00 6.93 8.45 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 58 A 8.53 3.97 1.18 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 0.00 0.00 59 H 8.02 3.84 0.00 2.40 2.12 0.00 5.63 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 60 V 7.56 3.43 2.15 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 1.07 0.00 0.00 0.94 0.00 0.00 61 K 7.68 3.84 0.00 1.91 1.79 0.00 1.88 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.39 7.81 62 S 7.79 4.06 0.00 3.85 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 63 H 8.59 4.29 0.00 3.43 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.39 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 0.00 0.00 0.00 65 A 8.17 4.01 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 66 K 7.89 3.91 0.00 2.05 1.93 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.48 7.81 67 V 8.05 3.67 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 1.05 0.00 0.00 1.00 0.00 0.00 68 L 8.26 4.21 0.00 1.96 1.91 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.31 4.25 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 0.00 0.00 0.00 0.00 0.00 70 S 8.26 4.24 0.00 4.19 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 0.00 71 F 8.65 4.26 0.00 3.22 3.45 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 72 S 8.74 3.94 0.00 4.48 4.36 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 73 E 8.41 4.12 0.00 2.24 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 2.24 2.30 0.00 74 G 8.10 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 75 L 7.25 3.86 0.00 1.42 1.39 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.29 4.36 0.00 1.78 1.79 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.22 7.81 77 H 8.10 4.91 0.00 3.05 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.10 3.90 0.00 1.54 1.66 0.77 0.81 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 79 Q 7.93 4.10 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.39 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 80 D 8.05 4.78 0.00 2.68 2.47 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 81 L 7.84 4.12 0.00 1.79 1.78 0.94 0.97 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 82 K 8.03 4.07 0.00 1.66 1.78 0.00 1.62 0.00 0.00 1.26 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.45 7.81 83 G 8.02 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 0.00 0.00 0.00 84 T 7.46 3.64 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 0.58 0.00 0.00 85 F 8.07 4.60 0.00 3.26 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 86 A 7.75 4.03 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 87 K 7.98 4.03 0.00 1.82 1.88 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 88 L 7.95 4.16 0.00 2.03 1.85 1.18 0.93 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 89 S 8.28 4.26 0.00 4.01 4.09 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 90 E 8.08 3.92 0.00 2.13 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 0.00 2.33 2.52 0.00 91 L 7.98 3.92 0.00 1.82 1.82 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.65 4.30 0.00 3.45 3.66 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 93 C 8.73 4.18 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 94 D 8.31 4.55 0.00 2.71 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 95 K 8.07 4.11 0.00 1.87 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.39 7.81 96 L 7.57 4.44 0.00 1.79 1.73 0.79 0.88 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 97 H 8.00 4.25 0.00 3.44 3.48 0.00 5.74 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.67 3.82 1.98 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 0.21 0.00 0.00 0.19 0.00 0.00 99 D 8.70 4.26 0.00 2.75 2.48 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 0.00 100 P 0.00 3.40 0.00 2.16 2.15 0.00 3.55 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 2.10 2.08 0.00 101 E 8.54 3.88 0.00 2.07 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 2.26 2.37 0.00 102 N 8.15 4.41 0.00 2.68 2.83 0.00 0.00 7.02 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 0.00 103 F 7.49 4.54 0.00 3.17 2.93 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 0.00 104 R 7.99 4.09 0.00 2.02 2.00 0.00 3.15 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 1.71 1.88 0.00 105 L 7.78 3.91 0.00 1.66 1.34 0.62 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.15 4.07 0.00 1.84 1.73 0.94 0.88 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 0.00 107 G 8.20 3.71 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 0.00 0.00 0.00 108 N 8.50 4.48 0.00 2.99 2.96 0.00 0.00 7.07 7.94 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 0.00 109 M 8.37 4.15 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 3.06 0.00 110 L 7.97 3.96 0.00 1.88 1.59 0.53 0.43 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 0.00 111 T 7.79 3.74 4.46 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 1.56 0.00 0.00 112 I 7.60 3.58 1.96 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 1.45 0.59 0.84 0.00 0.00 113 A 8.29 3.95 1.29 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 0.00 0.00 0.00 114 I 7.67 3.45 1.17 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.14 0.73 0.00 0.00 115 A 7.09 3.71 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 0.00 116 H 8.07 4.25 0.00 3.12 3.40 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 0.00 117 H 8.00 4.25 0.00 2.98 3.06 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.07 4.90 0.00 3.25 3.40 0.00 5.66 0.00 0.00 0.00 0.00 5.80 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 4.28 0.00 2.08 2.00 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 120 S 8.01 4.42 0.00 3.89 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 0.00 121 E 8.22 4.25 0.00 2.05 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 0.00 2.35 2.40 0.00 122 F 7.52 4.55 0.00 3.12 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 0.00 123 T 7.34 4.30 4.22 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 1.22 0.00 0.00 124 P 0.00 4.15 0.00 2.16 2.16 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 125 C 7.98 4.14 0.00 2.94 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 0.00 126 T 7.77 3.93 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 1.38 0.00 0.00 127 Q 7.81 3.60 0.00 1.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 128 A 7.94 3.98 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 0.00 129 A 7.81 3.90 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 0.00 130 F 8.19 4.09 0.00 3.49 3.40 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 0.00 131 Q 8.44 4.12 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 132 K 7.83 3.96 0.00 1.84 1.85 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 133 V 7.68 3.63 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 0.91 0.00 0.00 0.74 0.00 0.00 134 T 8.34 4.09 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 135 A 8.48 4.10 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 0.00 0.00 0.00 0.00 0.00 136 G 8.82 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.25 3.28 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 0.46 0.00 0.00 0.82 0.00 0.00 138 A 8.11 3.91 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 0.00 139 N 8.05 4.34 0.00 2.86 2.92 0.00 0.00 7.10 6.74 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 0.00 140 A 8.24 4.15 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 0.00 141 L 7.89 3.78 0.00 0.95 0.29 0.23 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.57 4.66 1.55 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 0.00 143 H 7.77 4.16 0.00 3.29 3.40 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.93 4.17 0.00 1.87 1.73 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.