NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.1775 8.3716 119.5153 52.4776 39.9123 172.7232 3 L 3.9493 8.4273 117.9845 54.2578 42.0308 174.5735 4 P 4.4598 0.0000 0.0000 63.2361 32.5618 176.4335 5 T 4.2444 8.6071 111.9880 60.8157 71.1420 175.4489 6 A 4.0101 8.4958 121.7984 55.7075 18.0503 179.7530 7 Q 3.9849 7.9671 115.7506 58.7985 28.8052 178.4495 8 E 3.9181 7.6938 118.5765 59.0037 29.5513 179.2284 9 V 3.1019 7.8023 118.5047 65.9546 31.6724 178.0822 10 Q 4.1001 7.8770 117.7253 58.9660 28.5381 179.1694 11 G 3.5728 7.7335 106.8288 47.6074 0.0000 175.8478 12 L 3.9629 8.1306 121.8014 57.9732 41.5161 179.6170 13 M 4.1971 8.2201 118.3516 58.1804 31.9590 178.7656 14 A 4.0167 7.9803 120.7861 55.0597 18.4786 179.6127 15 R 3.8205 8.0485 117.3368 59.5664 30.1479 177.8652 16 Y 4.0053 8.1824 119.4060 61.0968 38.7985 178.5644 17 I 3.4715 7.6053 120.3658 63.8206 37.0496 178.1700 18 E 3.8585 7.8561 120.1417 59.2892 29.5479 178.8709 19 L 3.8927 7.9429 119.2437 57.7489 41.4077 179.7580 20 V 3.4370 7.2157 117.2634 65.6585 31.4649 177.2572 21 D 4.4276 7.7825 116.9434 57.6405 41.2155 178.5704 22 V 3.8227 7.5390 111.3074 62.2106 31.5306 177.2022 23 G 3.7568 7.9195 105.8874 46.2679 0.0000 174.3311 24 D 4.5509 7.7682 120.4933 52.6515 40.1680 175.8702 25 I 3.6667 7.9657 126.9250 64.0295 37.2690 177.6037 26 E 3.9565 8.1164 118.7032 59.3874 29.1818 179.1259 27 A 4.0192 7.8921 119.3045 54.8540 18.6590 179.6509 28 I 3.7479 7.7323 118.5545 64.6827 37.1059 178.6946 29 V 3.7278 7.8824 119.0751 66.1266 31.0568 177.4034 30 Q 4.1812 7.7712 117.6546 58.2804 29.1974 177.2104 31 M 4.2319 8.2724 119.3603 56.9057 32.0360 176.2673 32 F 4.7702 7.3146 117.1942 56.1510 40.5833 175.4501 33 A 4.3680 8.6867 126.2403 51.6534 19.1174 178.8012 34 D 4.4887 8.8244 119.7357 55.6504 39.4720 177.5925 35 D 4.6653 7.8372 117.5666 52.5797 39.9146 175.8455 36 A 4.6074 7.9361 121.6129 53.0320 20.0446 177.3547 37 T 5.0762 8.5209 108.6954 59.8582 72.2445 173.1946 38 V 4.7911 8.6220 123.0301 61.2093 35.1102 174.0936 39 E 4.6637 9.1853 126.8211 54.6590 32.1191 174.8064 40 D 4.9800 8.2050 124.8509 52.0278 43.7116 172.9854 41 P 4.6311 0.0000 0.0000 61.8104 33.1121 175.4200 42 F 4.0505 8.6171 124.3320 59.8705 39.1771 174.3928 43 G 3.6619 7.7812 113.1392 45.6565 0.0000 173.9720 44 Q 4.2065 7.1851 119.6598 53.7363 30.1082 173.5220 45 P 4.2714 0.0000 0.0000 61.8100 31.9584 174.4296 46 P 4.7758 0.0000 0.0000 62.9205 32.4510 175.0843 47 I 4.5179 8.4069 114.0824 59.3339 40.1232 173.8760 48 H 5.1365 8.6838 124.8367 55.4247 32.4837 173.6738 49 G 4.5882 8.7852 111.2644 46.1600 0.0000 174.6455 50 R 3.8910 8.5061 119.6219 59.0567 29.9984 178.9230 51 E 3.8930 8.1564 118.3932 59.6875 29.7602 178.9046 52 Q 4.0644 8.0323 117.3185 58.9553 28.7869 178.7861 53 I 3.8093 7.7775 120.8723 64.1169 37.1137 178.2813 54 A 4.1593 8.7381 121.9678 55.0313 18.3305 179.5757 55 A 3.9758 8.1107 119.4584 55.1111 18.5533 179.5897 56 F 4.0524 8.3289 119.2011 61.8334 39.3977 177.0968 57 Y 3.7849 8.0904 116.1436 60.6448 37.3911 178.2242 58 R 3.9319 7.8598 119.3532 59.0347 30.2341 178.0362 59 Q 4.1298 7.7196 118.5114 59.1914 29.1981 178.1849 60 G 3.4905 7.4395 104.9853 45.7827 0.0000 173.7610 61 L 4.3963 7.5014 121.2479 52.8862 43.1809 177.1469 *65 K 4.1089 8.2390 124.3967 56.1020 32.3827 173.8351 66 V 4.8688 7.5098 119.2426 60.6370 35.1881 174.5333 67 R 4.9088 8.9149 123.1095 54.3302 32.5611 173.9381 68 A 5.5383 8.6985 123.6545 50.3436 21.9923 175.1958 69 C 4.8448 9.0920 115.0550 56.2393 33.5228 173.4980 70 L 4.6373 8.7934 122.5967 55.1887 41.6828 176.9817 71 T 4.4491 8.5154 113.1786 60.6501 69.0820 173.9143 72 G 3.9944 7.3042 109.4565 44.6611 0.0000 171.6223 73 P 4.4315 0.0000 0.0000 62.2472 31.9552 176.0567 74 V 4.0225 8.1388 120.0392 62.8918 32.3649 175.2995 75 R 4.5621 9.1641 127.6977 55.1995 31.4383 175.4064 76 A 5.2277 8.5676 124.9416 50.2564 22.4650 175.0818 77 S 4.7104 8.6679 115.3934 57.1231 65.8067 173.5806 78 H 4.7738 8.7832 115.2215 56.1442 28.8375 175.3377 79 N 4.8882 7.8192 117.3014 52.6017 37.5941 175.3399 80 G 3.9480 8.4460 104.6644 47.2943 0.0000 173.2018 81 C 5.4899 7.6630 115.9162 58.0484 32.3072 172.8589 82 G 4.5817 8.6975 105.9159 45.8538 0.0000 172.0247 83 A 5.4475 9.2053 121.7650 50.5308 23.1470 175.2755 84 M 5.2478 9.2269 117.9574 53.2118 35.3968 171.9728 85 P 5.4439 0.0000 0.0000 61.7704 33.8827 174.1833 86 F 5.4659 8.6467 116.5674 56.0731 41.9830 172.5816 87 R 5.0106 9.2010 119.6629 54.5081 33.2055 174.2144 88 V 4.9339 8.7324 125.2913 61.1392 34.6696 173.8968 89 E 5.2157 9.3296 127.1365 55.0089 32.6305 175.0612 90 M 5.2085 8.9535 121.8882 54.1638 35.2997 174.4677 91 V 4.6286 8.2867 117.5394 61.3752 32.7314 174.1320 92 W 4.5955 9.5072 135.0000 57.4782 31.3064 176.3305 93 N 4.1931 10.2320 125.7690 54.3297 35.6369 173.1028 94 G 4.1760 8.3019 107.0602 45.4107 0.0000 173.2207 95 Q 4.2608 7.7913 121.9804 53.8017 29.6080 173.0116 96 P 4.8754 0.0000 0.0000 62.8544 32.2796 175.0157 97 C 5.1761 8.9027 115.5384 56.7364 33.8466 172.3422 98 A 5.2579 9.0519 120.4362 50.1112 22.4725 174.9841 99 L 4.9797 8.6243 121.1701 53.5062 45.6028 174.8048 100 D 5.0426 8.6405 126.7673 53.2166 41.9897 176.1940 101 V 4.7144 8.3517 123.0930 60.9760 35.7150 174.0671 102 I 5.1205 8.5808 125.6214 59.7496 40.3776 174.0541 103 D 5.5584 9.1690 127.0928 52.7577 43.3614 175.5739 104 V 4.8986 8.9129 123.1731 61.4373 34.1943 174.2170 105 M 5.2135 9.1007 126.6471 53.4136 36.5043 174.2599 106 R 4.9651 8.4891 121.5582 54.6903 32.9660 174.4823 107 F 5.1224 9.3106 125.7067 56.3402 41.2002 175.4092 108 D 4.8948 8.9662 122.4190 51.4988 42.3294 177.2500 109 E 4.4134 8.6413 112.2023 57.8689 28.9205 177.2314 110 H 4.9275 8.4119 114.0285 55.2387 30.2449 173.8554 111 G 3.9262 8.5839 107.1830 46.4058 0.0000 173.8457 112 R 4.8390 7.9685 117.4952 53.6335 32.6655 175.4657 113 I 3.4176 8.1799 122.8767 61.7662 37.5309 176.3911 114 Q 4.2084 9.2183 129.3948 57.7318 30.8078 175.3155 115 T 5.1323 7.4906 111.9029 60.5690 71.4182 172.3688 116 M 5.2682 8.8610 126.3259 54.1502 36.2380 173.5556 117 Q 5.1063 9.2621 123.7486 54.0706 33.2130 173.8464 118 A 5.3793 9.1721 125.8016 50.5166 21.9143 174.6238 119 Y 4.7959 9.4175 121.8069 56.5754 39.5179 175.1777 120 W 4.6939 8.4780 120.6073 57.2051 30.5183 173.5598 121 S 4.0804 8.0877 113.5657 57.6373 64.7226 174.6380 122 E 4.1947 8.8089 118.5289 59.3733 29.1909 179.4724 123 V 3.8301 7.4891 110.5623 63.3032 31.4185 176.3637 124 N 4.9724 8.6182 116.7066 52.7614 39.8835 173.5732 125 L 4.8876 7.7307 122.0066 53.7249 43.8695 176.2604 126 S 4.7171 9.2067 122.3915 56.7086 65.5041 174.8041 127 V 4.0014 8.3473 123.3166 61.6612 31.5688 176.2598 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 N 8.37 5.18 0.00 2.53 2.73 0.00 0.00 6.64 6.90 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 3 L 8.43 3.95 0.00 1.66 1.63 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.46 0.00 1.91 1.78 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.48 0.00 5 T 8.61 4.24 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 1.19 0.00 0.00 6 A 8.50 4.01 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 7 Q 7.97 3.98 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.69 3.92 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 9 V 7.80 3.10 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 1.08 0.00 0.00 0.77 0.00 0.00 10 Q 7.88 4.10 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 11 G 7.73 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 12 L 8.13 3.96 0.00 1.39 1.66 0.22 0.73 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 13 M 8.22 4.20 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.73 0.00 14 A 7.98 4.02 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 15 R 8.05 3.82 0.00 1.97 2.17 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 Y 8.18 4.01 0.00 3.11 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 17 I 7.61 3.47 1.95 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.87 0.00 0.00 18 E 7.86 3.86 0.00 2.25 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 2.36 0.00 19 L 7.94 3.89 0.00 1.64 1.55 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.22 3.44 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 0.75 0.00 0.00 0.32 0.00 0.00 21 D 7.78 4.43 0.00 2.90 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 22 V 7.54 3.82 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 0.79 0.00 0.00 1.02 0.00 0.00 23 G 7.92 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 0.00 0.00 0.00 24 D 7.77 4.55 0.00 2.68 2.53 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 25 I 7.97 3.67 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.57 0.95 0.00 0.00 26 E 8.12 3.96 0.00 2.00 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 2.41 2.37 0.00 27 A 7.89 4.02 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 28 I 7.73 3.75 1.73 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.28 0.00 0.00 29 V 7.88 3.73 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 1.05 0.00 0.00 1.03 0.00 0.00 30 Q 7.77 4.18 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.27 4.23 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 32 F 7.31 4.77 0.00 3.17 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 33 A 8.69 4.37 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 34 D 8.82 4.49 0.00 2.85 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 35 D 7.84 4.67 0.00 2.84 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 36 A 7.94 4.61 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 37 T 8.52 5.08 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 1.27 0.00 0.00 38 V 8.62 4.79 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 0.69 0.00 0.00 0.81 0.00 0.00 39 E 9.19 4.66 0.00 1.94 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 2.11 2.17 0.00 40 D 8.21 4.98 0.00 2.60 2.35 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 41 P 0.00 4.63 0.00 1.38 0.57 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.39 0.00 42 F 8.62 4.05 0.00 2.36 2.40 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 43 G 7.78 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 44 Q 7.19 4.21 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 45 P 0.00 4.27 0.00 2.14 1.95 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 46 P 0.00 4.78 0.00 2.04 2.03 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 47 I 8.41 4.52 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.76 0.00 0.00 48 H 8.68 5.14 0.00 3.05 3.15 0.00 5.99 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 49 G 8.79 4.59 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 50 R 8.51 3.89 0.00 1.88 2.03 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 51 E 8.16 3.89 0.00 2.04 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 2.39 2.42 0.00 52 Q 8.03 4.06 0.00 2.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 53 I 7.78 3.81 1.89 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 1.22 0.89 0.64 0.00 0.00 54 A 8.74 4.16 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 55 A 8.11 3.98 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 56 F 8.33 4.05 0.00 3.07 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 57 Y 8.09 3.78 0.00 3.21 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 58 R 7.86 3.93 0.00 2.01 1.95 0.00 3.28 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 59 Q 7.72 4.13 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 60 G 7.44 3.49 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 0.00 0.00 0.00 61 L 7.50 4.40 0.00 1.85 1.60 0.99 0.84 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 *65 K 8.24 4.11 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 7.51 4.87 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 0.88 0.00 0.00 0.90 0.00 0.00 67 R 8.91 4.91 0.00 2.11 1.96 0.00 2.77 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 68 A 8.70 5.54 1.23 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 0.00 0.00 0.00 69 C 9.09 4.84 0.00 3.00 3.01 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 70 L 8.79 4.64 0.00 1.60 1.72 0.95 1.06 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 71 T 8.52 4.45 4.28 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 1.32 0.00 0.00 72 G 7.30 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 0.00 0.00 0.00 73 P 0.00 4.43 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.14 4.02 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 0.83 0.00 0.00 0.97 0.00 0.00 75 R 9.16 4.56 0.00 1.98 1.83 0.00 3.24 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 76 A 8.57 5.23 1.15 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 0.00 0.00 77 S 8.67 4.71 0.00 3.83 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 78 H 8.78 4.77 0.00 3.18 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.82 4.89 0.00 2.77 2.89 0.00 0.00 6.93 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.45 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 81 C 7.66 5.49 0.00 2.88 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 82 G 8.70 4.58 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 83 A 9.21 5.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 9.23 5.25 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.63 0.00 85 P 0.00 5.44 0.00 2.17 2.24 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 86 F 8.65 5.47 0.00 3.36 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 87 R 9.20 5.01 0.00 1.86 1.81 0.00 3.05 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 88 V 8.73 4.93 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 0.90 0.00 0.00 1.15 0.00 0.00 89 E 9.33 5.22 0.00 2.02 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 2.21 2.22 0.00 90 M 8.95 5.21 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 91 V 8.29 4.63 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 0.87 0.00 0.00 0.95 0.00 0.00 92 W 9.51 4.60 0.00 3.32 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 93 N 10.23 4.19 0.00 2.26 2.58 0.00 0.00 7.36 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 94 G 8.30 4.18 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 0.00 95 Q 7.79 4.26 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.27 0.00 96 P 0.00 4.88 0.00 2.24 2.06 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 97 C 8.90 5.18 0.00 3.18 3.15 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 98 A 9.05 5.26 1.21 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 0.00 0.00 99 L 8.62 4.98 0.00 1.47 1.20 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.64 5.04 0.00 2.60 2.54 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 0.00 101 V 8.35 4.71 0.72 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 1.17 0.00 0.00 0.55 0.00 0.00 102 I 8.58 5.12 1.94 0.00 0.00 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 1.26 0.78 0.93 0.00 0.00 103 D 9.17 5.56 0.00 3.04 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 0.00 104 V 8.91 4.90 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 1.00 0.00 0.00 0.96 0.00 0.00 105 M 9.10 5.21 0.00 1.33 1.68 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 106 R 8.49 4.97 0.00 1.83 1.68 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 107 F 9.31 5.12 0.00 3.00 2.95 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 0.00 108 D 8.97 4.89 0.00 2.72 2.86 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 0.00 109 E 8.64 4.41 0.00 2.04 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 2.02 2.17 0.00 110 H 8.41 4.93 0.00 3.30 3.32 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 0.00 111 G 8.58 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 0.00 112 R 7.97 4.84 0.00 2.23 1.94 0.00 3.33 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 113 I 8.18 3.42 0.96 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.12 0.54 0.00 0.00 114 Q 9.22 4.21 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 115 T 7.49 5.13 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 0.00 116 M 8.86 5.27 0.00 2.24 1.91 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 117 Q 9.26 5.11 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 118 A 9.17 5.38 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 0.00 119 Y 9.42 4.80 0.00 3.06 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 0.00 120 W 8.48 4.69 0.00 3.40 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 0.00 121 S 8.09 4.08 0.00 3.87 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 0.00 122 E 8.81 4.19 0.00 2.16 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 2.47 2.51 0.00 123 V 7.49 3.83 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 0.69 0.00 0.00 0.99 0.00 0.00 124 N 8.62 4.97 0.00 2.98 2.97 0.00 0.00 6.38 6.29 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 0.00 125 L 7.73 4.89 0.00 1.68 1.74 0.94 0.95 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 0.00 126 S 9.21 4.72 0.00 3.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.00 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 0.77 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.