NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.8810 8.3393 109.7376 44.8368 0.0000 173.4235 -3 P 4.4709 0.0000 0.0000 60.3643 32.9899 174.1990 -2 H 4.2315 8.7086 118.2254 59.1389 30.9284 175.6336 -1 M 4.1138 7.5294 113.1159 54.4896 33.2982 172.8269 *17 A 4.6940 7.7930 119.8785 52.0555 20.5356 175.4573 18 I 4.7305 8.1333 120.4614 59.8871 39.5389 174.7082 19 H 4.7717 9.0839 125.1781 54.1920 30.8064 173.9571 20 I 4.7006 8.2884 124.4247 59.9898 38.3744 174.9366 21 L 4.6178 8.5908 127.9537 53.1359 44.3323 175.9989 22 T 4.8348 8.8527 113.3828 58.7835 72.2170 174.2011 23 E 3.9217 8.9738 121.6025 60.3031 29.5444 180.2150 24 K 4.1404 7.8349 118.7952 56.7867 31.9574 180.6767 25 E 4.5732 8.1961 116.0660 56.4968 29.5359 175.2145 26 D 4.2160 7.6193 118.7058 56.4936 41.3302 176.4799 27 H 4.1624 9.1681 121.8675 56.0860 27.3175 174.8930 28 A 4.3933 8.2319 122.3160 52.1932 19.8028 176.8371 29 T 5.0053 8.3929 116.0538 61.8114 70.5810 173.7993 30 L 4.6014 9.1359 129.0388 53.5776 44.4504 174.5374 31 H 5.3059 8.8487 123.9802 54.5191 29.8563 174.3990 32 I 4.6967 8.8003 116.8634 59.0392 41.4912 175.2067 33 S 5.0022 9.2149 119.2051 57.3133 63.9986 175.4690 34 F 4.0773 8.8431 125.2990 61.6106 39.0799 176.1574 35 N 4.4503 8.0894 114.6027 54.1938 38.6311 174.4672 36 D 4.8721 7.6938 118.9761 53.7059 42.4539 175.3356 37 L 4.9951 8.6968 118.3964 53.1767 45.8979 175.9375 38 I 4.7705 8.3896 121.9994 59.4722 40.0247 174.7835 39 K 4.8354 8.9875 126.4971 54.6997 34.7672 175.1846 40 I 4.4438 8.7002 127.6529 60.1419 38.4187 175.0934 41 Q 4.8971 9.1445 126.7069 54.1408 31.6497 174.6243 42 L 4.8126 8.7848 124.1666 52.5946 45.7757 176.6466 43 R 4.7400 9.2466 121.5870 56.8263 31.1529 175.8318 44 T 4.7570 8.8104 115.5880 61.3234 71.8928 172.2449 45 N 5.0010 9.2279 124.0970 50.6629 39.3884 173.0018 46 P 4.4627 0.0000 0.0000 64.3240 31.8590 179.2052 47 S 4.2411 7.9473 113.6528 60.7139 63.0247 175.1461 48 T 4.1321 7.8723 110.2052 61.8210 69.0608 175.9432 49 G 3.7360 7.8725 110.0914 45.4505 0.0000 173.3364 50 Y 4.1500 7.4357 116.7952 57.6790 38.8947 174.7479 51 A 4.6336 8.3345 122.5129 50.3137 23.3437 175.5219 52 W 5.1440 8.9351 119.7879 56.5222 30.2594 175.6674 53 N 5.2327 9.6906 121.7102 51.1117 39.7591 173.1676 54 I 5.1356 8.6246 123.1114 59.9715 41.0365 174.8409 55 E 4.8570 9.5024 126.3826 54.8812 33.1022 173.4553 56 Y 5.2474 7.7836 121.2274 54.1796 41.5765 172.7699 57 P 4.4819 0.0000 0.0000 62.4977 31.7578 177.9472 58 T 4.1618 8.5527 114.2319 63.8848 68.9889 174.8931 59 D 4.6341 8.1114 120.1440 54.7220 40.3688 176.6081 60 T 4.3817 8.2206 116.7474 64.0271 71.0871 174.3728 61 F 5.4881 8.2412 117.6736 55.5391 42.9846 174.5296 62 S 4.9790 8.9667 116.6296 56.3994 65.8176 172.9008 63 L 4.6086 8.6651 125.0527 55.1980 41.8096 176.2324 64 S 4.6909 8.8909 121.4572 59.2172 64.8805 174.1234 65 Q 4.6377 7.5661 119.1584 55.1917 32.2537 172.2327 66 D 5.2617 8.6138 124.0214 53.1112 44.2839 174.4497 67 T 4.9311 9.1599 121.7072 61.7763 73.4325 172.7018 68 I 5.1718 8.3892 117.9133 59.0853 40.1209 174.5527 69 K 4.7211 9.1636 124.4189 55.5416 36.6616 174.9928 70 A 4.8452 8.6152 125.0362 51.7949 20.2868 177.0059 71 E 4.5476 8.4008 114.7102 53.6627 31.9924 173.9852 72 P 4.3815 0.0000 0.0000 62.7088 30.5496 177.2213 *80 F 4.4215 7.5108 114.8742 55.4723 39.9907 175.2014 81 P 4.5883 0.0000 0.0000 62.6023 31.7017 176.5866 82 S 5.3796 9.3812 114.2762 57.6618 66.1611 173.0784 83 I 5.0417 7.7942 121.5701 59.8298 40.7917 173.8621 84 R 4.9951 9.2625 128.0798 54.6547 32.1833 174.3134 85 E 5.1477 9.3372 127.2647 54.4461 33.0042 174.1623 86 I 4.8904 8.7808 127.5388 59.5958 40.6033 174.2907 87 Q 5.0566 9.1769 126.4624 54.0390 31.3262 174.6613 88 L 5.1098 8.9018 123.7255 52.6252 45.4823 175.2040 89 K 4.8136 8.7602 124.1267 53.7752 34.5475 173.7081 90 P 4.5562 0.0000 0.0000 62.9049 31.4514 176.0494 91 L 4.8983 8.7708 121.5620 54.7689 44.0137 176.7026 92 K 4.7067 7.8995 115.8643 54.9867 36.1675 175.8289 93 V 4.0965 8.7332 114.1326 60.5682 33.0669 175.6862 94 G 4.0606 7.5437 107.6915 43.9863 0.0000 172.0858 95 T 5.0033 8.0182 116.7695 62.3758 69.9781 174.5014 96 T 4.8529 9.1550 120.2202 60.9091 72.0426 172.0357 97 T 5.1955 8.5581 118.7442 61.7639 72.0470 173.7073 98 I 4.8395 8.8971 126.6810 59.5206 40.0795 174.7348 99 K 5.0881 9.1601 125.8982 54.5585 35.5805 175.2236 100 L 5.4404 9.1590 123.6827 52.9984 45.9801 175.7751 101 G 4.5591 9.3079 108.3440 44.7098 0.0000 170.8932 102 Y 4.8357 8.7213 125.4125 55.8415 40.1645 174.5839 103 S 4.9176 8.5052 120.7065 57.4842 67.8828 172.7713 104 R 4.4417 8.0441 118.8078 53.9512 30.8313 175.5757 105 P 4.1299 0.0000 0.0000 65.7934 30.8967 177.3376 106 W 4.7770 7.7284 115.2473 56.0360 29.5016 176.1882 107 E 4.1142 7.9181 120.6073 55.8780 29.6134 175.9050 108 K 4.5317 8.4848 124.7851 55.8900 34.4600 176.2148 109 G 3.9397 9.0566 109.5671 46.0165 0.0000 173.2768 110 K 4.6565 7.6972 116.3892 54.2836 35.9627 175.9371 111 E 4.5134 8.4437 120.8540 54.2263 31.0410 174.5587 112 P 4.5039 0.0000 0.0000 63.0553 31.9033 177.0227 113 L 4.2429 8.5128 122.2219 57.3184 42.2342 177.9535 114 R 4.7922 7.8852 116.1403 54.3901 34.4381 174.6662 115 S 5.3353 8.8244 117.7423 56.7937 66.4405 173.3588 116 L 4.9152 9.2110 123.3145 53.2198 45.5090 175.6956 117 T 4.8832 8.6630 118.1805 61.9778 72.7983 172.4883 118 Y 5.1558 8.9834 123.3863 56.2402 41.8761 174.3424 119 S 5.0784 8.9909 118.8155 56.9861 64.5244 172.7483 120 V 4.7754 8.8621 127.0265 61.1267 34.3509 174.0573 121 V 4.6351 8.8172 128.8022 61.5484 33.2628 174.2795 122 I 4.8085 8.8353 130.2250 59.7375 39.1765 176.0772 123 R 4.2833 8.8876 127.1661 56.3817 30.2564 175.2319 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 -4 G 8.34 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 -3 P 0.00 4.47 0.00 2.43 2.08 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 -2 H 8.71 4.23 0.00 3.09 3.40 0.00 5.96 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 -1 M 7.53 4.11 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 *17 A 7.79 4.69 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 18 I 8.13 4.73 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.85 0.00 0.00 19 H 9.08 4.77 0.00 2.96 3.12 0.00 5.60 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.29 4.70 1.80 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 1.28 0.74 0.83 0.00 0.00 21 L 8.59 4.62 0.00 1.10 0.70 0.71 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.85 4.83 4.19 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 1.15 0.00 0.00 23 E 8.97 3.92 0.00 2.08 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 0.00 2.44 2.25 0.00 24 K 7.83 4.14 0.00 1.82 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.28 7.81 25 E 8.20 4.57 0.00 2.28 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 2.18 2.26 0.00 26 D 7.62 4.22 0.00 2.80 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 27 H 9.17 4.16 0.00 3.34 3.44 0.00 5.71 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 28 A 8.23 4.39 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 29 T 8.39 5.01 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 1.14 0.00 0.00 30 L 9.14 4.60 0.00 1.60 1.42 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.85 5.31 0.00 3.04 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.80 4.70 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.60 0.00 0.00 33 S 9.21 5.00 0.00 4.22 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 34 F 8.84 4.08 0.00 2.95 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 35 N 8.09 4.45 0.00 2.74 2.80 0.00 0.00 6.93 8.06 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 36 D 7.69 4.87 0.00 2.75 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 37 L 8.70 5.00 0.00 1.50 1.45 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.39 4.77 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.65 0.00 0.00 39 K 8.99 4.84 0.00 1.55 1.62 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.30 7.81 40 I 8.70 4.44 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.52 0.79 0.00 0.00 41 Q 9.14 4.90 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 42 L 8.78 4.81 0.00 1.04 1.00 -0.64 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.25 4.74 0.00 1.70 1.89 0.00 3.45 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 44 T 8.81 4.76 4.71 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 1.39 0.00 0.00 45 N 9.23 5.00 0.00 2.81 2.76 0.00 0.00 7.27 7.74 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 46 P 0.00 4.46 0.00 2.26 2.31 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 47 S 7.95 4.24 0.00 3.97 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 48 T 7.87 4.13 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 1.33 0.00 0.00 49 G 7.87 3.74 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 0.00 0.00 0.00 50 Y 7.44 4.15 0.00 2.39 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 51 A 8.33 4.63 1.13 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 0.00 0.00 52 W 8.94 5.14 0.00 3.30 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 53 N 9.69 5.23 0.00 2.82 2.95 0.00 0.00 6.22 7.80 0.00 0.00 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 8.62 5.14 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 1.13 0.00 0.00 55 E 9.50 4.86 0.00 1.59 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 56 Y 7.78 5.25 0.00 3.14 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 57 P 0.00 4.48 0.00 2.37 2.10 0.00 4.02 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 58 T 8.55 4.16 4.29 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 1.11 0.00 0.00 59 D 8.11 4.63 0.00 2.83 2.85 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 60 T 8.22 4.38 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 0.65 0.00 0.00 61 F 8.24 5.49 0.00 2.55 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.97 4.98 0.00 3.91 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 63 L 8.67 4.61 0.00 1.80 1.71 1.01 0.95 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 64 S 8.89 4.69 0.00 3.86 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 65 Q 7.57 4.64 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 66 D 8.61 5.26 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.16 4.93 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 1.22 0.00 0.00 68 I 8.39 5.17 1.91 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 1.42 0.69 0.98 0.00 0.00 69 K 9.16 4.72 0.00 1.79 1.92 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.40 7.81 70 A 8.62 4.85 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 71 E 8.40 4.55 0.00 1.99 1.73 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 2.15 1.88 0.00 72 P 0.00 4.38 0.00 2.03 2.08 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 *80 F 7.51 4.42 0.00 2.32 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 0.00 0.00 0.00 81 P 0.00 4.59 0.00 2.06 2.05 0.00 3.62 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 2.09 0.00 82 S 9.38 5.38 0.00 3.81 4.03 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 83 I 7.79 5.04 1.88 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 1.24 0.85 0.91 0.00 0.00 84 R 9.26 5.00 0.00 2.06 1.86 0.00 3.37 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 85 E 9.34 5.15 0.00 1.99 1.71 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 2.14 2.19 0.00 86 I 8.78 4.89 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.86 0.00 0.00 87 Q 9.18 5.06 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 88 L 8.90 5.11 0.00 1.05 1.10 -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.76 4.81 0.00 1.75 1.61 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.26 7.81 90 P 0.00 4.56 0.00 1.39 1.72 0.00 3.48 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.14 0.00 91 L 8.77 4.90 0.00 1.59 1.72 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.90 4.71 0.00 1.65 1.64 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.61 7.81 93 V 8.73 4.10 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 0.68 0.00 0.00 0.87 0.00 0.00 94 G 7.54 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 0.00 0.00 0.00 95 T 8.02 5.00 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 96 T 9.15 4.85 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 1.47 0.00 0.00 97 T 8.56 5.20 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 1.32 0.00 0.00 98 I 8.90 4.84 2.06 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.99 0.00 0.00 99 K 9.16 5.09 0.00 1.70 1.68 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81 100 L 9.16 5.44 0.00 1.55 1.81 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.31 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 4.84 0.00 1.43 2.24 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 0.00 103 S 8.51 4.92 0.00 3.87 3.91 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 0.00 104 R 8.04 4.44 0.00 1.56 1.54 0.00 2.98 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 105 P 0.00 4.13 0.00 1.86 2.07 0.00 3.58 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 106 W 7.73 4.78 0.00 3.30 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 0.00 107 E 7.92 4.11 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 108 K 8.48 4.53 0.00 1.76 1.68 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 109 G 9.06 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 0.00 0.00 0.00 110 K 7.70 4.66 0.00 1.71 1.69 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.44 7.81 111 E 8.44 4.51 0.00 1.97 1.89 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 2.28 2.28 0.00 112 P 0.00 4.50 0.00 2.07 2.02 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 113 L 8.51 4.24 0.00 1.48 1.63 0.27 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.89 4.79 0.00 1.51 1.90 0.00 3.05 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 115 S 8.82 5.34 0.00 3.73 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.21 4.92 0.00 1.19 0.91 0.37 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.66 4.88 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 1.24 0.00 0.00 118 Y 8.98 5.16 0.00 2.79 2.66 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 0.00 119 S 8.99 5.08 0.00 3.96 3.76 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 0.00 0.00 0.00 120 V 8.86 4.78 2.28 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 1.09 0.00 0.00 0.97 0.00 0.00 121 V 8.82 4.64 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 1.02 0.00 0.00 0.87 0.00 0.00 122 I 8.84 4.81 1.88 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 1.06 0.00 0.00 123 R 8.89 4.28 0.00 1.88 1.75 0.00 3.14 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.