NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9895 8.0932 114.8133 57.6649 64.6226 174.1055 2 L 3.9031 8.5877 121.1907 58.0598 41.2430 180.0922 *3 F 4.0242 8.7271 121.4881 62.0239 38.4599 179.7034 4 E 4.2349 7.9184 119.1623 58.8705 29.1645 179.0695 5 L 4.1541 8.0961 120.5587 58.2189 42.2583 179.3246 6 G 3.5723 8.4907 106.1158 47.6026 0.0000 175.6093 7 K 3.9239 8.1112 121.9816 59.5348 32.1859 178.8843 8 M 3.8245 8.4105 119.4065 58.3865 31.7264 178.8142 9 I 3.6175 7.9358 120.2373 64.1039 37.0510 178.3154 10 L 4.1745 7.7358 122.5848 57.7330 41.7281 179.0209 11 Q 3.7554 8.1371 117.1974 58.6599 28.4707 178.4376 12 E 4.3063 8.2042 119.2399 59.5328 29.9658 178.8213 13 T 4.2180 8.2393 109.5789 63.5039 69.1098 176.4222 *15 G 4.1119 7.7051 107.4609 44.5356 0.0000 172.4794 16 K 4.3229 7.8452 119.9556 54.5356 33.8169 175.5426 17 N 4.3899 8.3695 119.5750 53.0838 39.5966 173.8124 18 P 4.4273 0.0000 0.0000 65.7597 31.5169 178.4694 19 A 3.9900 8.0043 118.8802 55.0280 18.1954 179.4094 20 K 3.8181 8.3380 117.0248 59.7773 32.4016 178.7240 21 S 4.7905 7.8655 115.0968 59.2785 62.9816 174.4978 22 Y 4.9188 8.0195 115.8375 57.3027 39.7173 176.4674 23 G 3.7738 8.5102 110.1988 47.6136 0.0000 173.9448 24 A 4.6999 7.2802 121.4996 51.1433 20.3015 172.9251 25 Y 5.0477 8.9447 121.9469 56.0282 42.6437 176.0170 26 G 3.8821 8.7025 116.8946 46.5418 0.0000 172.5705 27 C 4.7047 9.9962 117.8196 57.3536 40.9000 173.9610 28 N 4.9317 8.7226 114.4436 51.5647 40.6096 173.7160 29 C 4.6181 9.0463 116.8256 56.6815 40.7708 173.4435 30 G 4.1382 7.7715 113.6515 44.0972 0.0000 173.6269 31 V 4.5020 8.2361 118.8574 61.1995 32.4972 176.0328 32 L 4.7463 7.8713 118.5222 54.3540 42.3963 177.8023 33 G 3.7748 7.8983 108.9422 46.1344 0.0000 172.7660 34 R 4.8673 8.0626 119.1542 55.0172 33.1490 175.1677 35 G 4.0548 9.1011 107.1289 45.2247 0.0000 172.9525 36 K 4.1143 8.9499 122.3682 55.8503 32.3187 175.0008 37 P 4.4592 0.0000 0.0000 63.3126 31.8503 176.5943 38 K 3.9673 8.6505 120.8579 58.4751 32.8278 175.9720 39 D 4.4583 7.2055 115.5054 51.3671 41.8878 175.2125 40 A 3.9887 8.7623 119.7687 55.9852 18.0433 179.8067 41 T 3.8191 8.0230 113.6446 66.9126 68.5790 176.1556 42 D 4.4668 8.8855 120.1768 57.4950 41.2812 178.3894 43 R 3.9735 8.5425 118.9724 59.3988 29.9890 178.3151 44 C 4.2819 8.1476 116.3550 60.4153 40.8743 175.6311 45 C 4.1496 7.9368 117.7187 59.5157 39.5054 175.6558 46 Y 3.8251 7.9698 121.7146 60.7683 38.4947 177.9047 47 V 3.7048 8.1522 119.2128 66.2335 31.5531 177.4935 48 H 3.9944 8.1528 117.9382 59.2538 29.5328 177.5143 49 K 3.6705 7.7946 118.9964 59.4603 32.1880 178.4767 50 C 4.3340 8.2621 117.2833 59.9317 39.8450 175.1642 51 C 4.1962 8.2254 119.7913 59.9905 37.7684 175.0113 52 Y 4.2741 7.9708 118.2677 61.0204 37.2445 178.7066 53 K 3.9509 7.9486 119.1837 59.0300 31.9137 178.8690 *57 K 4.5973 7.7472 115.4159 55.6724 34.0003 176.1124 58 L 4.0167 7.4844 119.0661 54.9903 41.9468 176.7240 59 T 4.3678 8.5888 119.1715 63.9136 70.1733 172.2626 60 G 4.2643 9.1588 116.6323 45.5223 0.0000 172.2506 61 C 4.3771 7.5610 113.1033 54.2858 39.5605 172.2218 *67 N 4.8660 8.2650 117.5080 52.8983 38.9985 173.0191 68 P 3.9757 0.0000 0.0000 65.9817 31.8069 179.8698 69 K 4.0759 8.1464 121.6464 57.2720 32.0486 181.5536 70 K 4.2789 7.8220 118.7896 55.4805 32.8778 178.6514 71 D 4.6483 8.3817 119.1120 53.9141 41.1658 176.5851 72 R 4.2937 8.6512 123.1782 55.4454 30.9243 175.1327 73 Y 5.0123 7.5536 117.7174 55.7640 41.5821 174.0149 74 S 5.0910 10.2753 117.5000 57.5431 65.2256 173.1814 75 Y 5.4680 8.2014 119.2588 56.4052 40.5287 173.8523 76 S 4.7987 9.5658 117.5550 56.6305 66.2468 174.4404 77 W 5.5399 8.4695 129.1795 56.0868 30.8956 174.9385 78 K 3.8646 8.0970 118.2428 58.2169 31.7094 176.2065 79 D 3.9636 8.7388 124.6503 55.7889 38.2839 173.4753 80 K 2.0000 6.8857 113.7229 56.8436 30.3798 175.5543 81 T 4.6612 6.6679 112.2455 61.8074 73.1198 174.2937 82 I 4.9576 8.7799 126.7364 60.9334 38.4785 175.3248 83 V 4.4357 9.1578 127.5841 60.9981 34.0119 173.9565 84 C 4.8882 9.0204 126.5344 56.8649 40.5727 174.2530 85 G 3.9224 9.0500 114.1273 46.4724 0.0000 174.2161 *86 E 4.2512 9.1986 116.2738 59.0843 30.5994 179.0257 87 N 4.0230 7.8705 116.3220 54.0162 38.1851 175.4202 88 N 4.9520 8.1938 122.9908 51.7719 40.6637 173.0919 *90 P 4.3748 0.0000 0.0000 62.9699 33.5787 179.8116 91 C 4.2020 8.0974 116.6546 59.8425 39.3076 175.4450 92 L 3.8679 7.8651 120.0716 57.4953 41.1099 179.3104 93 K 3.7749 8.6553 119.9553 59.5412 32.1919 178.5200 94 E 3.8478 8.2778 119.7067 58.9626 29.4536 178.5078 95 L 3.8347 8.0503 120.8493 58.2205 42.2054 177.9409 96 C 3.1950 7.8882 118.6033 59.6419 42.5081 175.5490 97 E 3.9416 8.2810 120.0999 59.3388 28.9916 178.7398 98 C 4.3267 8.2196 116.7992 60.2065 41.0378 175.9129 99 D 4.3320 8.3692 120.5602 57.0847 40.3274 178.6574 100 K 3.7790 8.5874 120.2983 59.4861 32.1436 178.6248 101 A 3.9725 8.3002 121.5903 55.1601 18.2373 180.0337 102 V 3.4842 7.7695 117.3794 64.6354 31.5588 178.4429 103 A 3.8007 8.0527 121.6010 54.9318 18.2181 179.7000 104 I 3.7974 7.9231 118.4254 64.6479 37.3042 177.7882 105 C 4.3932 8.4477 119.6749 59.7806 43.2232 175.6059 106 L 3.8174 7.8889 119.6973 57.6735 41.3896 179.1978 107 R 4.0489 7.9763 118.5824 59.5753 29.8830 178.4704 108 E 4.1539 8.4858 117.1897 58.4002 29.5687 177.5498 109 N 5.0268 7.6620 115.0872 52.8487 39.3927 176.4637 110 L 4.1563 8.1379 122.4625 57.8787 41.8030 179.9245 111 G 3.7856 8.2665 106.5709 47.8573 0.0000 173.9200 112 T 4.5712 7.7343 107.6754 61.0878 69.5191 173.6315 113 Y 4.0752 8.0574 124.9674 58.1555 39.2989 174.4452 114 N 5.0582 9.1998 125.4433 51.4446 41.0821 174.9600 115 K 4.0805 8.9536 126.2856 59.0391 32.3533 179.0972 116 K 3.9077 8.1823 117.3909 59.0159 32.6421 177.2784 117 Y 4.3652 7.4885 116.8393 58.1820 38.2108 175.8387 118 R 4.9647 7.7395 119.0859 55.9563 30.7203 174.9400 119 Y 4.7530 7.4238 116.8653 56.8367 40.9492 173.7806 120 H 4.7933 8.9798 115.2613 56.7636 30.7095 174.9701 121 L 4.8566 7.7765 117.5506 52.2213 43.5883 176.0836 122 K 2.9928 8.3464 120.7163 56.4662 32.7626 174.4737 123 P 4.3655 0.0000 0.0000 61.5477 33.7787 174.3107 *125 F 4.5522 8.2512 116.3402 57.5914 38.9372 170.6811 126 C 5.1816 8.4683 122.4429 54.1612 41.2785 173.9528 127 K 4.4170 8.4063 120.5934 54.9253 34.7515 175.2269 *129 K 4.4011 8.3607 121.8272 55.9832 33.1753 175.3575 130 A 4.1815 8.7703 129.6617 52.8243 18.6972 177.8161 131 D 4.4435 8.8221 122.4395 55.5928 41.2206 176.9717 132 D 4.9860 8.0293 115.5831 53.2536 40.2996 173.8336 133 C 4.4681 8.5662 116.2571 57.6119 41.1563 173.7975 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 S 8.09 4.99 0.00 4.17 4.15 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 0.00 0.00 0.00 0.00 2 L 8.59 3.90 0.00 1.77 1.81 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *3 F 8.73 4.02 0.00 2.32 2.29 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 4 E 7.92 4.23 0.00 1.73 1.81 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 1.47 2.28 0.00 5 L 8.10 4.15 0.00 2.10 1.88 0.92 0.96 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 6 G 8.49 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.11 3.92 0.00 1.96 2.00 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 8 M 8.41 3.82 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.02 0.00 9 I 7.94 3.62 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.88 0.00 0.00 10 L 7.74 4.17 0.00 1.79 1.76 0.95 0.38 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 11 Q 8.14 3.76 0.00 1.33 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 1.52 2.07 0.00 12 E 8.20 4.31 0.00 1.95 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 2.45 2.45 0.00 13 T 8.24 4.22 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 1.16 0.00 0.00 *15 G 7.71 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 0.00 0.00 0.00 0.00 16 K 7.85 4.32 0.00 1.81 1.51 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.14 7.81 17 N 8.37 4.39 0.00 2.71 2.65 0.00 0.00 6.98 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 18 P 0.00 4.43 0.00 2.23 2.16 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 19 A 8.00 3.99 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 20 K 8.34 3.82 0.00 1.72 1.78 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 21 S 7.87 4.79 0.00 3.31 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 22 Y 8.02 4.92 0.00 3.04 2.87 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 23 G 8.51 3.77 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 0.00 0.00 0.00 24 A 7.28 4.70 0.54 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 0.00 0.00 25 Y 8.94 5.05 0.00 3.07 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 26 G 8.70 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 0.00 0.00 0.00 27 C 10.00 4.70 0.00 2.87 3.21 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 28 N 8.72 4.93 0.00 3.03 2.82 0.00 0.00 6.96 7.24 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 29 C 9.05 4.62 0.00 3.49 3.43 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 30 G 7.77 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 31 V 8.24 4.50 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 1.00 0.00 0.00 32 L 7.87 4.75 0.00 1.68 1.66 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.90 3.77 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 0.00 0.00 0.00 34 R 8.06 4.87 0.00 1.57 1.81 0.00 2.71 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 35 G 9.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.95 4.11 0.00 1.71 1.75 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.43 7.81 37 P 0.00 4.46 0.00 1.95 2.03 0.00 3.56 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 1.65 2.12 0.00 38 K 8.65 3.97 0.00 0.97 0.74 0.00 1.81 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.03 7.81 39 D 7.21 4.46 0.00 2.84 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 40 A 8.76 3.99 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 T 8.02 3.82 4.47 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 0.97 0.00 0.00 42 D 8.89 4.47 0.00 2.97 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 43 R 8.54 3.97 0.00 2.03 1.93 0.00 3.11 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 44 C 8.15 4.28 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.94 4.15 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.97 3.83 0.00 3.06 3.14 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 47 V 8.15 3.70 2.27 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 0.97 0.00 0.00 1.06 0.00 0.00 48 H 8.15 3.99 0.00 3.21 3.23 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 49 K 7.79 3.67 0.00 1.72 1.69 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.44 7.81 50 C 8.26 4.33 0.00 3.03 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.23 4.20 0.00 3.08 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 52 Y 7.97 4.27 0.00 3.15 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.95 3.95 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.69 7.81 *57 K 7.75 4.60 0.00 1.78 1.91 0.00 1.81 0.00 0.00 0.84 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 58 L 7.48 4.02 0.00 1.70 1.53 0.72 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 59 T 8.59 4.37 4.23 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 1.20 0.00 0.00 60 G 9.16 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 61 C 7.56 4.38 0.00 3.36 3.19 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 *67 N 8.26 4.87 0.00 2.77 2.93 0.00 0.00 7.68 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 68 P 0.00 3.98 0.00 1.59 0.49 0.00 3.48 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 69 K 8.15 4.08 0.00 1.68 1.81 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.00 7.81 70 K 7.82 4.28 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.01 7.81 71 D 8.38 4.65 0.00 2.75 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 72 R 8.65 4.29 0.00 1.78 1.87 0.00 3.30 0.00 0.00 3.89 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 73 Y 7.55 5.01 0.00 3.19 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 74 S 10.28 5.09 0.00 3.77 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 75 Y 8.20 5.47 0.00 3.18 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 76 S 9.57 4.80 0.00 3.83 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 77 W 8.47 5.54 0.00 3.32 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 8.10 3.86 0.00 1.82 1.68 0.00 1.89 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 79 D 8.74 3.96 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 6.89 2.00 0.00 1.46 1.28 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.75 0.96 7.81 81 T 6.67 4.66 4.17 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 1.23 0.00 0.00 82 I 8.78 4.96 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 0.86 0.00 0.00 83 V 9.16 4.44 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 0.94 0.00 0.00 0.99 0.00 0.00 84 C 9.02 4.89 0.00 3.09 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 85 G 9.05 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 *86 E 9.20 4.25 0.00 2.00 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 2.24 1.93 0.00 87 N 7.87 4.02 0.00 2.82 2.26 0.00 0.00 6.65 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.19 4.95 0.00 2.84 2.87 0.00 0.00 5.94 7.76 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 *90 P 0.00 4.37 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 91 C 8.10 4.20 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.87 3.87 0.00 1.85 1.76 0.98 0.95 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 93 K 8.66 3.77 0.00 1.86 1.84 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.58 7.81 94 E 8.28 3.85 0.00 2.10 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 2.29 2.30 0.00 95 L 8.05 3.83 0.00 1.69 1.59 0.67 0.80 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 96 C 7.89 3.19 0.00 1.90 2.91 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 0.00 0.00 0.00 97 E 8.28 3.94 0.00 2.10 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 2.49 2.46 0.00 98 C 8.22 4.33 0.00 3.40 3.24 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 99 D 8.37 4.33 0.00 2.91 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 0.00 100 K 8.59 3.78 0.00 1.69 1.96 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.47 7.81 101 A 8.30 3.97 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 0.00 102 V 7.77 3.48 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 0.63 0.00 0.00 0.78 0.00 0.00 103 A 8.05 3.80 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 0.00 104 I 7.92 3.80 1.99 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 1.60 0.67 0.92 0.00 0.00 105 C 8.45 4.39 0.00 3.03 3.19 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 0.00 106 L 7.89 3.82 0.00 1.42 1.19 0.02 0.45 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 0.00 107 R 7.98 4.05 0.00 1.90 2.10 0.00 3.15 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 108 E 8.49 4.15 0.00 2.11 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 2.36 2.58 0.00 109 N 7.66 5.03 0.00 2.87 2.83 0.00 0.00 6.83 6.39 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 0.00 110 L 8.14 4.16 0.00 1.84 1.76 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.27 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 0.00 112 T 7.73 4.57 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 1.27 0.00 0.00 113 Y 8.06 4.08 0.00 3.11 3.03 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 0.00 114 N 9.20 5.06 0.00 2.74 2.51 0.00 0.00 6.83 6.82 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 0.00 115 K 8.95 4.08 0.00 1.91 1.92 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.78 1.70 7.81 116 K 8.18 3.91 0.00 1.58 1.74 0.00 1.23 0.00 0.00 1.40 0.00 0.00 2.55 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.87 0.21 7.81 117 Y 7.49 4.37 0.00 1.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.74 4.96 0.00 1.93 1.82 0.00 3.23 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 119 Y 7.42 4.75 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 0.00 120 H 8.98 4.79 0.00 3.22 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.78 4.86 0.00 1.66 1.60 0.96 0.92 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 0.00 122 K 8.35 2.99 0.00 1.64 1.73 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.42 7.81 123 P 0.00 4.37 0.00 2.06 1.96 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 *125 F 8.25 4.55 0.00 2.32 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 0.00 0.00 0.00 0.00 126 C 8.47 5.18 0.00 2.74 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 0.00 127 K 8.41 4.42 0.00 1.69 1.72 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.40 7.81 *129 K 8.36 4.40 0.00 1.78 1.78 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.54 7.81 130 A 8.77 4.18 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.82 4.44 0.00 2.70 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 0.00 132 D 8.03 4.99 0.00 2.94 2.91 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 0.00 0.00 0.00 133 C 8.57 4.47 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.