NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3602 0.0000 0.0000 62.4950 32.6392 175.0732 3 R 4.2048 8.4206 120.1843 53.9781 31.8698 173.8945 4 A 4.5373 9.1113 129.8273 50.0957 19.8610 175.9366 5 K 4.2151 8.3197 120.6039 57.1370 33.0495 177.8909 6 T 4.0262 8.7550 119.3619 66.3194 69.7612 176.4380 7 G 3.8254 7.7611 106.9708 46.9904 0.0000 174.7206 8 V 3.6014 9.3094 124.4536 66.6535 31.2725 179.2972 9 V 2.8960 6.2780 115.4040 63.7087 33.2302 176.8468 10 R 3.8900 7.9110 116.6052 59.7065 30.2174 178.4209 11 R 3.8282 7.7789 117.7647 59.9826 29.9241 178.2029 12 R 3.8831 8.0825 116.7897 59.2144 30.0908 178.6938 13 K 3.8680 8.3896 117.9979 60.2163 32.0828 178.9395 14 H 4.0644 8.6815 116.4887 58.6603 28.7043 177.6104 15 K 3.8375 8.5291 120.9954 60.4083 31.8597 178.5267 16 K 3.8216 8.0219 118.4498 59.3739 32.3234 178.5973 17 I 3.8382 7.6113 119.0695 64.8078 37.1613 178.5881 18 L 4.0437 8.2214 119.6252 57.6113 40.9143 179.5831 19 K 3.9328 8.5057 119.0247 59.5169 31.7875 179.0270 20 L 4.1288 7.7804 117.2744 56.2479 42.0338 178.0316 21 A 4.4619 7.6840 119.6076 50.1915 19.5997 176.4088 22 K 3.8513 6.8158 117.3151 58.0533 32.4929 176.9702 23 G 3.9477 8.8345 111.3700 45.8335 0.0000 173.2796 24 Y 4.8843 7.0285 116.5441 57.1985 40.2817 176.6199 25 W 4.5727 9.0653 135.0000 58.1024 30.1918 179.7769 26 G 4.3619 9.7013 109.6496 44.8920 0.0000 176.4265 27 L 4.2533 8.9229 127.6828 55.9918 41.4448 178.3831 28 R 4.2467 8.1448 118.5653 58.0825 30.0997 177.5357 29 S 4.9350 8.1598 110.3610 57.5569 63.9028 174.5630 30 K 4.4207 8.0307 119.4177 56.3135 34.6219 176.0299 31 S 4.6217 8.6435 117.1530 56.8673 63.7962 175.5472 *32 F 4.0971 8.8704 122.8335 57.8495 37.9903 171.5907 33 R 4.3733 7.8679 118.2119 56.8496 32.7138 179.5646 34 K 4.5111 6.9726 118.1401 59.7177 32.6557 177.0238 35 A 4.2933 8.2549 121.5008 54.8031 18.0071 179.0292 36 R 3.4849 7.7879 114.2629 59.3540 30.3950 178.7215 37 E 3.7469 8.1885 118.2143 59.7534 29.4921 179.4565 38 T 3.7940 7.8889 115.6532 66.7155 68.4433 176.6603 39 L 4.0778 7.9753 120.9474 57.4754 41.4490 179.8145 40 F 4.4787 7.6537 117.4557 60.6152 38.9643 177.3619 41 A 3.6186 7.5702 119.0036 54.9628 18.0308 179.4990 42 A 4.0986 8.0820 119.1703 56.0091 18.5527 179.5595 43 G 3.8792 8.4887 103.2988 49.2796 0.0000 175.1061 44 N 4.3113 8.9484 118.5616 55.5396 38.6195 177.4532 45 Y 4.2946 7.8715 117.1594 61.1024 38.1101 178.7183 46 A 4.2524 8.3867 121.6909 55.8119 18.3624 178.7994 47 Y 3.9155 8.2149 117.3726 60.6315 38.9749 177.8279 48 A 4.0899 8.8284 122.0106 56.0312 18.4931 179.3916 49 H 4.4130 9.1229 115.3290 58.6480 28.6087 178.0477 50 R 3.7905 8.2232 119.9028 59.9574 30.0386 178.1585 51 K 3.9077 8.5521 118.7045 56.9228 31.6237 181.3482 52 R 3.8009 7.9621 118.2894 58.5034 30.7054 178.1590 53 R 3.8563 8.6418 118.7064 59.9354 30.0230 178.6668 54 K 4.1020 9.1684 119.1584 58.6586 32.0895 178.7605 55 R 4.2381 7.7522 114.7227 57.0243 30.1413 177.9828 56 D 4.0569 8.0670 120.0130 57.4502 41.2408 178.1187 57 F 3.4671 7.9208 118.2198 60.0833 38.6347 177.5163 58 R 3.7881 7.0312 116.8539 59.6828 29.8079 178.7420 59 R 3.8162 7.7801 116.8577 59.9139 30.2114 178.4473 60 L 3.7962 7.4033 117.2649 57.9688 41.4775 179.4481 61 W 4.7885 8.0689 117.7746 60.5236 29.3398 178.4328 62 I 3.7856 8.3535 119.4942 64.7759 36.6632 178.6366 63 V 3.5814 8.1330 118.9483 66.7380 31.1400 177.2729 64 R 3.8440 8.5814 115.7001 59.5751 30.0776 178.3735 65 I 3.9447 8.6994 119.2100 65.0892 37.6442 177.5869 66 N 4.5426 9.1302 117.3189 56.6104 39.6322 175.6583 67 A 4.5702 7.8569 120.8955 50.3423 16.7736 175.6021 68 A 4.3362 7.3087 129.8383 52.9334 25.4769 178.9743 69 C 4.5999 8.3200 111.4122 60.9135 30.0981 175.4799 70 R 4.7102 7.8971 118.1463 57.3344 29.5915 177.3005 71 Q 4.0924 7.7503 115.8649 59.9904 28.8169 177.1678 72 H 4.6116 7.9586 112.6573 55.7325 28.8273 174.9865 73 G 3.6635 7.6251 107.3954 43.7826 0.0000 173.2507 74 L 4.4741 7.0700 120.6565 54.1949 42.8318 174.2794 75 N 4.6155 8.1607 117.0468 53.7515 40.2383 175.4433 76 Y 4.3053 8.7403 125.0480 61.0109 38.9339 178.7670 77 S 4.5401 8.6277 114.5951 62.1354 62.7572 176.3612 78 T 3.8719 8.0124 119.2390 66.0003 68.3829 175.7830 79 F 4.3816 8.5174 122.6878 61.8461 39.2503 176.9173 80 I 2.9287 8.1691 120.0912 64.3678 36.7783 177.4917 81 H 4.0751 8.3316 118.8797 59.9060 29.0987 176.7270 82 G 3.7319 8.3271 108.3405 47.1728 0.0000 175.5400 83 L 3.8749 7.6738 121.0968 57.2270 41.7532 179.2026 84 K 3.7582 8.0615 119.4211 60.0262 31.7709 178.7125 85 K 4.0632 8.2349 119.4546 59.3397 32.1838 179.0892 86 A 4.1868 8.9906 121.0293 52.3044 19.3195 175.3046 87 G 3.6140 8.3996 108.4421 45.7276 0.0000 172.8649 88 I 4.5371 7.7976 117.0182 58.8027 37.5709 178.2701 89 E 4.3181 8.2118 129.7515 56.7981 29.6365 176.6629 90 V 4.4142 10.4955 119.1305 61.6627 32.1291 173.4144 91 D 4.0231 8.9553 110.8775 51.4216 42.0297 170.1798 92 R 3.9340 7.3623 123.5231 55.9381 30.9622 177.4302 93 K 3.9124 8.6301 125.0124 59.8341 32.8463 177.9919 94 N 2.0000 7.7798 116.8167 55.8087 38.8365 175.7388 95 L 4.2115 8.2645 116.2067 54.5984 41.8745 177.3498 96 A 5.0292 7.5101 120.6442 51.7413 18.1552 178.8967 97 D 4.5809 7.5395 121.2255 55.9142 40.5160 178.5061 98 L 4.0551 7.9698 120.7421 57.1031 41.5623 178.6199 99 A 3.2936 7.8594 119.2981 55.5616 18.1688 178.1658 100 V 3.7842 7.7991 115.1164 63.3847 32.3761 176.0244 101 R 3.8911 7.5435 115.8867 57.8290 30.9777 175.9831 102 E 4.4975 9.0135 113.5995 55.8307 27.8960 173.4601 103 P 4.3787 0.0000 0.0000 65.1494 32.1455 178.2194 104 Q 3.9503 8.1036 118.7276 59.1171 28.8133 178.0628 105 V 3.5479 7.7697 118.7019 66.2241 31.5165 177.6213 106 F 3.9744 7.8364 119.4347 61.2424 39.2611 176.4911 107 A 3.7799 8.4788 120.7165 55.5646 18.0132 179.2789 108 E 3.8146 8.4043 116.6251 59.6826 29.3729 179.5306 109 L 3.8064 7.6120 118.0612 58.0302 41.9819 179.8602 110 V 3.3807 7.5695 118.0368 65.8714 31.4045 177.7794 111 E 3.8815 8.0735 118.0610 59.7505 29.5436 179.4826 112 R 3.6621 8.0998 117.7458 59.6231 29.9741 178.7865 113 A 4.0624 8.1524 120.5144 54.5841 18.5206 179.2849 114 K 4.1616 7.9702 115.4056 58.3247 32.9495 178.8990 115 A 3.9127 8.4631 122.7810 55.3271 18.5454 179.1886 116 A 4.1289 7.7322 116.1341 53.3848 19.7667 177.6905 117 Q 4.6465 7.5231 115.9812 54.1001 28.6762 176.0237 118 G 3.7244 7.5913 109.8143 45.7524 0.0000 170.7474 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 2 P 0.00 4.36 0.00 2.19 2.12 0.00 3.68 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 1.88 1.96 0.00 3 R 8.42 4.20 0.00 1.84 1.83 0.00 3.21 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 1.50 1.69 0.00 4 A 9.11 4.54 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 5 K 8.32 4.22 0.00 1.76 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 6 T 8.76 4.03 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 7 G 7.76 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 8 V 9.31 3.60 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 6.28 2.90 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 1.05 0.00 0.00 0.97 0.00 0.00 10 R 7.91 3.89 0.00 1.92 1.91 0.00 3.23 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 11 R 7.78 3.83 0.00 1.86 2.08 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 12 R 8.08 3.88 0.00 2.08 1.96 0.00 3.23 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 13 K 8.39 3.87 0.00 1.88 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.70 7.81 14 H 8.68 4.06 0.00 3.40 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.53 3.84 0.00 1.92 2.18 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.48 7.81 16 K 8.02 3.82 0.00 1.92 1.93 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 I 7.61 3.84 1.96 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 1.50 0.84 0.87 0.00 0.00 18 L 8.22 4.04 0.00 1.82 1.71 0.94 1.13 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 19 K 8.51 3.93 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.60 7.81 20 L 7.78 4.13 0.00 1.82 1.73 0.95 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 21 A 7.68 4.46 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 22 K 6.82 3.85 0.00 1.65 1.70 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.50 7.81 23 G 8.83 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 0.00 0.00 0.00 24 Y 7.03 4.88 0.00 3.22 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 25 W 9.07 4.57 0.00 3.49 2.45 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 26 G 9.70 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 0.00 0.00 0.00 27 L 8.92 4.25 0.00 1.76 1.75 0.95 0.91 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 28 R 8.14 4.25 0.00 2.02 2.11 0.00 3.08 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 29 S 8.16 4.93 0.00 3.95 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 30 K 8.03 4.42 0.00 1.73 1.84 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.31 7.81 31 S 8.64 4.62 0.00 3.95 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 *32 F 8.87 4.10 0.00 2.32 2.25 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 33 R 7.87 4.37 0.00 1.78 1.73 0.00 3.13 0.00 0.00 3.18 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 34 K 6.97 4.51 0.00 1.98 1.81 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.68 7.81 35 A 8.25 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 36 R 7.79 3.48 0.00 1.63 1.87 0.00 3.12 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.00 37 E 8.19 3.75 0.00 2.08 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 2.33 2.30 0.00 38 T 7.89 3.79 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 0.31 0.00 0.00 39 L 7.98 4.08 0.00 1.57 1.66 0.97 1.22 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 40 F 7.65 4.48 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 41 A 7.57 3.62 1.10 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 0.00 0.00 42 A 8.08 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.49 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 44 N 8.95 4.31 0.00 2.60 2.76 0.00 0.00 7.16 7.00 0.00 0.00 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 Y 7.87 4.29 0.00 3.07 2.79 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 46 A 8.39 4.25 1.54 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 47 Y 8.21 3.92 0.00 3.15 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 48 A 8.83 4.09 1.52 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 49 H 9.12 4.41 0.00 3.30 3.35 0.00 5.64 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 50 R 8.22 3.79 0.00 1.77 1.93 0.00 3.14 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 51 K 8.55 3.91 0.00 1.79 1.63 0.00 1.57 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.48 7.81 52 R 7.96 3.80 0.00 1.94 1.90 0.00 3.25 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 53 R 8.64 3.86 0.00 1.92 2.19 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 54 K 9.17 4.10 0.00 1.83 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.47 7.81 55 R 7.75 4.24 0.00 1.97 2.14 0.00 2.95 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 56 D 8.07 4.06 0.00 2.74 2.22 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 57 F 7.92 3.47 0.00 2.62 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 0.00 0.00 0.00 0.00 58 R 7.03 3.79 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 59 R 7.78 3.82 0.00 1.87 1.87 0.00 3.05 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 1.56 1.73 0.00 60 L 7.40 3.80 0.00 1.54 1.72 0.81 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.07 4.79 0.00 3.75 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.35 3.79 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.38 0.43 0.00 0.00 63 V 8.13 3.58 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 1.03 0.00 0.00 0.94 0.00 0.00 64 R 8.58 3.84 0.00 2.08 1.97 0.00 3.52 0.00 0.00 3.29 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 65 I 8.70 3.94 2.48 0.00 0.00 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 1.76 0.94 1.53 0.00 0.00 66 N 9.13 4.54 0.00 2.98 2.94 0.00 0.00 7.20 8.02 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 67 A 7.86 4.57 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 68 A 7.31 4.34 1.02 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 69 C 8.32 4.60 0.00 2.59 3.35 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 70 R 7.90 4.71 0.00 2.05 2.06 0.00 3.14 0.00 0.00 3.11 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 71 Q 7.75 4.09 0.00 2.30 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 72 H 7.96 4.61 0.00 3.24 3.28 0.00 5.94 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 73 G 7.63 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 0.00 0.00 0.00 74 L 7.07 4.47 0.00 1.91 1.78 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.16 4.62 0.00 2.91 3.00 0.00 0.00 6.45 7.48 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 76 Y 8.74 4.31 0.00 3.24 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 77 S 8.63 4.54 0.00 4.19 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 0.00 78 T 8.01 3.87 4.43 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 1.27 0.00 0.00 79 F 8.52 4.38 0.00 3.02 3.22 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 80 I 8.17 2.93 1.61 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.06 0.75 0.00 0.00 81 H 8.33 4.08 0.00 3.20 3.50 0.00 5.80 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 82 G 8.33 3.73 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 0.00 0.00 0.00 83 L 7.67 3.87 0.00 1.64 1.46 0.79 -0.58 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 84 K 8.06 3.76 0.00 1.78 1.84 0.00 1.50 0.00 0.00 1.60 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 85 K 8.23 4.06 0.00 1.64 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.27 7.81 86 A 8.99 4.19 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 87 G 8.40 3.61 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 0.00 0.00 0.00 88 I 7.80 4.54 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.80 0.86 0.00 0.00 89 E 8.21 4.32 0.00 1.90 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 2.28 2.35 0.00 90 V 10.50 4.41 2.03 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 0.79 0.00 0.00 0.86 0.00 0.00 91 D 8.96 4.02 0.00 2.80 2.46 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 92 R 7.36 3.93 0.00 1.98 1.76 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 93 K 8.63 3.91 0.00 2.30 2.34 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.82 1.85 7.81 94 N 7.78 2.00 0.00 1.81 2.31 0.00 0.00 7.18 6.66 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 95 L 8.26 4.21 0.00 1.91 1.58 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.51 5.03 1.68 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 0.00 0.00 97 D 7.54 4.58 0.00 2.94 2.98 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 98 L 7.97 4.06 0.00 1.87 1.97 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.86 3.29 0.99 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 0.00 0.00 100 V 7.80 3.78 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 0.87 0.00 0.00 0.91 0.00 0.00 101 R 7.54 3.89 0.00 1.91 1.85 0.00 3.32 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 102 E 9.01 4.50 0.00 2.21 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 0.00 2.31 2.20 0.00 103 P 0.00 4.38 0.00 2.33 2.32 0.00 3.71 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 104 Q 8.10 3.95 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 105 V 7.77 3.55 2.30 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 1.06 0.00 0.00 0.95 0.00 0.00 106 F 7.84 3.97 0.00 3.22 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 0.00 107 A 8.48 3.78 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 0.00 108 E 8.40 3.81 0.00 2.05 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 2.70 0.00 109 L 7.61 3.81 0.00 1.53 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.57 3.38 2.01 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 0.82 0.00 0.00 0.32 0.00 0.00 111 E 8.07 3.88 0.00 2.08 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 2.41 2.46 0.00 112 R 8.10 3.66 0.00 2.04 2.00 0.00 3.25 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 113 A 8.15 4.06 1.60 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 0.00 114 K 7.97 4.16 0.00 2.00 2.08 0.00 1.50 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.81 1.48 7.81 115 A 8.46 3.91 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 0.00 116 A 7.73 4.13 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 0.00 117 Q 7.52 4.65 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 118 G 7.59 3.72 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.