NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3828 0.0000 0.0000 62.6413 33.4176 177.9801 3 Q 4.1095 8.1204 119.0605 55.8625 29.2136 174.5413 4 L 4.7098 8.6516 117.2155 55.5965 41.7139 176.3801 5 T 4.3898 7.6739 114.2423 63.9931 71.8488 173.5486 6 L 4.5155 8.3023 121.8476 52.8579 42.4758 175.9210 7 D 4.7713 8.3448 123.9090 51.5134 40.9370 177.5991 8 K 3.9494 8.6195 119.4334 60.7815 32.1838 178.6904 9 T 4.0103 7.9601 110.7931 64.3998 68.8857 176.6238 10 D 4.3931 8.3385 121.7926 57.1657 40.7960 178.7542 11 I 3.7312 7.6738 120.0489 64.1858 37.1659 178.2118 12 K 4.0077 7.8420 119.8463 59.1985 31.8856 178.8054 13 I 3.7080 7.7676 120.2939 64.6805 37.0639 178.4191 14 L 4.0242 7.9424 119.4635 57.6761 41.0372 179.6270 15 Q 3.9781 8.1444 118.2188 58.9759 28.6596 179.1218 16 V 3.7313 7.9390 119.1272 66.0162 31.1847 178.1413 17 L 4.1710 8.3071 119.0794 57.8432 41.1849 179.3550 18 Q 4.0163 8.1726 117.5730 58.5450 28.6632 177.9941 19 E 4.4096 7.4425 119.0481 57.0159 31.8762 176.2370 20 N 4.9458 8.3170 118.1047 51.3668 38.1604 175.2748 21 G 3.9354 8.2014 108.2301 47.1474 0.0000 171.8620 22 R 4.4154 7.7182 118.5289 55.7408 30.2959 175.7488 23 L 4.1616 7.2237 115.2407 55.1210 42.2888 177.3813 24 T 4.3710 8.5842 111.4560 60.6383 71.5511 175.2419 25 N 4.1540 8.7054 120.4687 57.5084 38.6965 177.5311 26 V 3.6872 7.6983 112.8848 64.2508 31.5005 178.1444 27 E 3.9441 7.7399 117.4380 59.4125 29.6549 178.9097 28 L 4.1012 8.1692 120.4116 58.1832 42.2840 178.9748 29 S 4.1472 8.4883 115.4626 61.9129 62.5790 176.6963 30 E 4.0113 8.3162 120.2483 59.2481 29.2306 178.9970 31 R 4.1708 7.8806 117.7438 57.8207 30.1851 176.9957 32 V 4.1537 7.3245 115.2264 61.6482 32.7038 174.7521 33 A 3.7161 8.1506 118.0659 52.6415 15.2993 177.4706 34 L 4.7157 7.8106 121.2100 52.8643 46.3811 175.5848 35 S 4.3017 8.4943 118.9857 57.2743 63.2115 173.3012 36 P 4.6968 0.0000 0.0000 65.6650 30.6233 178.2906 37 S 4.1130 8.0170 112.9378 60.7399 62.5145 174.0377 38 P 4.2250 0.0000 0.0000 65.3755 31.1404 178.1038 39 C 3.9604 7.9367 117.3895 62.5446 31.4353 175.3620 40 L 3.9241 7.6826 121.1992 58.3011 41.6265 179.0298 41 R 3.9119 8.0845 117.9211 59.3965 30.0390 179.2817 42 R 3.8914 8.4836 117.9208 59.3026 30.0376 178.9948 43 L 4.0834 8.1612 119.8034 57.5507 41.9461 178.7709 44 K 4.0356 7.9722 119.8682 59.2205 32.1157 178.6262 45 Q 4.0102 8.1070 118.4282 59.0836 28.6038 178.9496 46 L 4.0081 7.9991 119.9149 57.8496 41.4229 179.4624 47 E 4.0624 7.8357 117.7991 59.2722 29.4906 178.6020 48 D 4.5519 8.0640 117.7342 56.3423 41.1833 177.8207 49 A 4.2702 8.1471 119.6100 52.5125 18.7126 178.2637 50 G 3.9241 8.1202 105.6337 45.1397 0.0000 175.0277 51 I 3.6213 7.2742 120.0344 64.1426 37.2205 176.8422 52 V 3.8239 7.4973 124.3457 61.8075 30.9468 175.6030 53 R 4.1767 8.2530 124.7975 58.0910 30.2736 176.5805 54 Q 4.4313 7.2320 115.2371 55.2745 31.6570 172.0781 55 Y 4.6026 8.6242 121.6568 56.2394 39.7438 175.1219 56 A 4.6367 8.3086 125.8220 50.1786 22.4318 175.0896 57 A 4.3422 8.4975 123.8099 51.1150 19.0959 177.2183 58 L 4.3356 8.3876 123.5446 54.0500 42.7089 176.6752 59 L 4.4880 8.1390 122.8168 53.0078 44.3675 175.5097 60 S 4.5097 8.0801 113.8940 56.2249 62.8504 172.3124 61 P 4.0791 0.0000 0.0000 65.6654 31.6992 178.3854 62 E 4.0009 8.5082 115.7769 59.4177 29.3591 179.2829 63 S 4.1388 8.1645 113.2833 60.4757 62.9948 175.2073 64 V 4.1979 7.2837 112.4222 61.1470 31.6219 176.9110 65 N 4.4773 8.1973 116.7270 53.5054 37.2534 174.4639 66 L 4.6540 7.7862 118.4936 54.6446 39.7336 176.8621 67 G 3.7591 8.7480 111.7270 47.5428 0.0000 170.6796 68 L 4.6935 8.6794 123.1391 53.1070 43.9846 174.7531 69 Q 3.9161 8.4624 127.7120 54.8634 30.1812 173.7630 70 A 4.8847 8.2138 128.9108 50.1299 22.0235 175.0265 71 F 4.9845 8.9570 121.7352 56.1180 40.9316 174.8174 72 I 4.9667 8.8292 125.7508 59.6322 39.7158 175.0951 73 R 5.0314 9.0397 126.5935 54.8116 31.8079 175.5166 74 V 4.9569 9.4025 124.7542 61.0039 35.1668 174.0432 75 S 5.1098 8.8348 120.4200 56.5713 65.3887 172.4467 76 I 4.6934 7.6818 127.8646 59.3907 38.3414 175.8365 77 R 3.9292 9.0412 128.4903 56.3329 30.7518 177.7680 78 K 4.2425 8.6406 124.5821 55.7010 29.9274 175.5496 79 A 4.7721 7.5810 125.1392 49.2336 21.7080 175.7625 80 K 3.8328 8.1490 118.7174 59.1775 32.6123 177.1474 81 D 5.0108 7.6593 116.8216 53.1476 42.4381 178.3810 82 A 4.0363 8.4716 122.9288 55.5995 18.2285 179.3820 83 R 3.9574 8.1151 116.2870 60.0264 30.1428 178.3626 84 E 4.0857 8.0611 117.3729 59.0713 29.8010 178.7533 85 D 4.4161 8.7788 119.5978 56.9858 40.8188 178.4209 86 F 3.9446 8.4607 121.0720 61.1964 39.2397 176.7820 87 A 3.5614 8.0395 120.1016 55.1438 17.9130 179.2712 88 A 3.7900 7.8224 118.0267 55.6059 18.7233 179.7301 89 S 3.7818 7.4730 112.8277 60.9848 63.0696 177.0427 90 V 2.5113 6.7154 121.1248 65.3267 30.8399 178.1449 91 R 3.9493 6.9910 116.7344 58.2040 29.9613 178.2531 92 K 4.3483 7.1505 117.0060 56.3913 32.1127 176.8093 93 W 4.7967 7.1202 119.2041 55.1340 28.7812 175.4023 94 P 4.3135 0.0000 0.0000 65.1882 31.3456 178.0683 95 E 3.6232 8.0923 116.1067 58.6072 29.4858 176.4111 96 V 4.2987 7.1405 118.9238 61.7830 30.9697 175.3222 97 L 4.3684 8.5173 129.1316 57.2430 42.1247 177.9628 98 S 4.5997 7.8215 111.3438 56.7864 66.7911 172.5804 99 C 5.0599 7.6183 120.2010 58.0553 34.6505 172.9890 100 F 5.1667 9.1086 122.6751 55.8868 43.6154 173.7703 101 A 4.4463 8.9990 124.6656 51.4056 18.6008 176.7384 102 L 4.6873 8.2621 121.8044 54.0219 43.9601 177.3843 103 T 4.0657 8.2420 117.6281 63.8418 69.5079 174.6220 104 G 3.8467 8.4360 108.1067 44.1688 0.0000 172.9035 105 E 4.0191 8.6327 115.6436 59.1164 29.8574 177.2875 106 T 4.3262 7.5796 112.5473 61.3089 68.6939 173.6158 107 D 4.5233 8.5914 126.5120 56.1242 42.6846 176.0435 108 Y 5.3851 8.4416 115.2491 55.9666 42.3550 174.5296 109 L 5.2797 9.3912 125.4707 53.4717 44.9255 174.9293 110 L 5.2808 9.6680 126.7379 53.1266 44.9045 175.1732 111 Q 4.6468 9.3557 123.8944 54.3272 31.2003 174.2466 112 A 5.1300 8.6718 127.3764 50.0955 23.2999 174.2796 113 F 4.7744 8.1007 116.5629 55.9860 42.8409 174.7385 114 F 5.0212 9.2785 120.7648 56.2062 43.5930 175.8873 115 T 4.4330 9.2386 109.9923 64.2131 69.7271 174.6275 116 D 4.7746 8.1074 119.8743 53.1748 41.6544 176.0448 *118 N 4.6525 9.8038 113.6956 53.1537 40.8946 175.8981 119 A 4.0590 8.2017 119.3677 55.4738 18.4149 179.5594 120 F 3.2585 8.0149 118.7055 60.8982 39.3343 177.5232 121 S 3.8942 7.9310 113.6032 61.8107 62.8987 176.0786 122 H 4.2925 7.8587 119.9431 58.2900 28.2769 177.6460 123 F 4.0701 7.7951 122.7525 61.0991 39.1337 177.5464 124 V 2.9272 7.2479 117.8785 65.4295 31.0102 178.1449 125 L 3.7999 7.9373 117.9260 57.9012 41.7599 178.7337 126 D 4.5178 7.8968 116.4043 55.7763 39.7476 177.3167 127 T 4.2284 7.1033 113.3494 64.8989 70.2798 175.9665 128 L 3.4355 6.9535 121.9783 58.1366 42.0395 179.0004 129 L 4.1080 7.6857 117.7135 56.5649 41.7273 178.5716 130 S 4.4854 7.1319 112.2464 57.9428 63.7739 173.2864 131 H 4.6695 7.6691 124.8002 55.2977 30.5034 174.9841 132 H 4.0507 9.2201 123.2459 58.9940 28.1578 176.5079 133 G 3.6815 7.5800 106.1375 47.7080 0.0000 173.2995 134 V 3.9829 7.9514 121.4067 62.3018 31.0949 175.5738 135 Q 4.2249 8.8241 130.9490 58.7768 29.8659 175.6315 136 D 4.7374 7.6888 115.5670 53.0793 44.6033 174.0083 137 A 5.2939 8.6264 125.8838 50.2889 22.5374 175.7310 138 Q 4.3986 9.0520 118.4988 54.5027 32.4003 174.3407 139 S 4.8606 8.7779 120.6711 56.8751 64.5043 173.9084 140 S 4.6808 8.5091 119.0055 56.3832 65.4249 172.5798 141 F 5.2928 8.4215 121.4827 55.3510 42.6314 174.8608 142 V 3.8786 8.7181 122.6573 63.1684 31.2094 175.9406 143 L 4.4811 8.6848 127.1378 55.7364 42.8663 176.9026 144 K 4.3842 7.6472 117.7772 55.3417 34.8637 175.0746 145 E 4.4091 8.6456 127.9986 54.7647 28.3782 175.3929 146 I 3.9072 8.1351 125.8921 63.5349 37.6450 176.7389 147 K 4.5235 7.4770 117.8153 55.6747 34.8121 175.0609 148 H 4.4863 8.2348 121.4752 56.0471 30.5111 172.3372 149 T 4.7358 8.2163 120.3461 60.1066 70.0689 174.0546 150 T 4.1652 8.5487 117.1727 63.1917 69.5190 174.8612 151 S 4.3744 7.7855 119.9781 58.2456 63.1137 174.1770 152 L 4.3473 7.6889 126.5108 53.3834 42.3030 174.9166 153 P 4.5593 0.0000 0.0000 62.6490 32.3205 176.0770 154 L 4.7071 8.3168 119.0496 54.5145 42.8898 177.7195 155 N 4.5649 8.0803 117.1847 55.3655 38.7515 176.5028 156 H 4.3750 8.1188 112.9480 57.5483 28.9757 176.4166 157 L 4.1136 7.3927 119.7135 56.6638 41.9231 176.8164 158 L 4.1550 7.2751 122.5451 54.9433 41.4457 176.6650 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 4.38 0.00 2.21 2.37 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 3 Q 8.12 4.11 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.26 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 4 L 8.65 4.71 0.00 1.75 1.72 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.67 4.39 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 6 L 8.30 4.52 0.00 1.62 1.60 0.91 1.06 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 7 D 8.34 4.77 0.00 2.89 2.80 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 0.00 0.00 0.00 8 K 8.62 3.95 0.00 2.04 2.14 0.00 1.38 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.61 7.81 9 T 7.96 4.01 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 10 D 8.34 4.39 0.00 2.86 2.76 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 11 I 7.67 3.73 2.02 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 1.50 0.71 0.90 0.00 0.00 12 K 7.84 4.01 0.00 1.89 1.97 0.00 1.54 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 1.44 1.53 7.81 13 I 7.77 3.71 2.02 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 1.73 0.84 0.94 0.00 0.00 14 L 7.94 4.02 0.00 1.71 1.72 0.95 1.13 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 15 Q 8.14 3.98 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 16 V 7.94 3.73 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 1.05 0.00 0.00 1.02 0.00 0.00 17 L 8.31 4.17 0.00 1.82 1.84 1.06 1.03 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 18 Q 8.17 4.02 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 19 E 7.44 4.41 0.00 2.05 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 0.00 2.28 2.39 0.00 20 N 8.32 4.95 0.00 2.73 2.72 0.00 0.00 6.97 7.83 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 21 G 8.20 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 22 R 7.72 4.42 0.00 1.77 1.89 0.00 3.25 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 23 L 7.22 4.16 0.00 1.74 1.59 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.58 4.37 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 1.26 0.00 0.00 25 N 8.71 4.15 0.00 2.83 2.87 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 26 V 7.70 3.69 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 0.80 0.00 0.00 0.92 0.00 0.00 27 E 7.74 3.94 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 2.34 2.31 0.00 28 L 8.17 4.10 0.00 1.75 1.86 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.49 4.15 0.00 4.02 4.13 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 30 E 8.32 4.01 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 2.52 2.46 0.00 31 R 7.88 4.17 0.00 2.00 2.09 0.00 3.25 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 32 V 7.32 4.15 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 0.92 0.00 0.00 1.02 0.00 0.00 33 A 8.15 3.72 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 34 L 7.81 4.72 0.00 1.59 1.48 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.49 4.30 0.00 3.89 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 36 P 0.00 4.70 0.00 2.29 2.30 0.00 3.91 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 2.07 1.89 0.00 37 S 8.02 4.11 0.00 3.91 3.84 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 0.00 0.00 0.00 38 P 0.00 4.23 0.00 2.20 2.09 0.00 3.81 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 2.11 2.14 0.00 39 C 7.94 3.96 0.00 3.08 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 40 L 7.68 3.92 0.00 1.99 1.97 0.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.08 3.91 0.00 2.10 1.98 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 42 R 8.48 3.89 0.00 1.97 2.14 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 43 L 8.16 4.08 0.00 1.78 1.78 1.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.97 4.04 0.00 2.08 1.95 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.67 7.81 45 Q 8.11 4.01 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 46 L 8.00 4.01 0.00 1.74 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.84 4.06 0.00 1.97 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 0.00 2.50 2.63 0.00 48 D 8.06 4.55 0.00 2.74 2.73 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 49 A 8.15 4.27 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 50 G 8.12 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 51 I 7.27 3.62 2.03 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 1.18 0.57 0.90 0.00 0.00 52 V 7.50 3.82 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 0.14 0.00 0.00 0.88 0.00 0.00 53 R 8.25 4.18 0.00 1.92 2.00 0.00 3.11 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 54 Q 7.23 4.43 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 55 Y 8.62 4.60 0.00 3.01 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 56 A 8.31 4.64 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 57 A 8.50 4.34 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 58 L 8.39 4.34 0.00 1.62 1.57 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.14 4.49 0.00 1.50 1.51 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.08 4.51 0.00 3.82 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 61 P 0.00 4.08 0.00 2.33 1.85 0.00 3.62 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 2.08 1.41 0.00 62 E 8.51 4.00 0.00 2.16 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 0.00 2.38 2.33 0.00 63 S 8.16 4.14 0.00 3.99 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 64 V 7.28 4.20 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 0.67 0.00 0.00 0.94 0.00 0.00 65 N 8.20 4.48 0.00 3.06 3.02 0.00 0.00 7.08 6.20 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 66 L 7.79 4.65 0.00 1.56 1.84 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.75 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 68 L 8.68 4.69 0.00 1.74 1.70 0.49 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.46 3.92 0.00 1.51 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 70 A 8.21 4.88 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 71 F 8.96 4.98 0.00 2.90 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 72 I 8.83 4.97 2.08 0.00 0.00 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 1.42 1.15 1.09 0.00 0.00 73 R 9.04 5.03 0.00 1.79 1.92 0.00 3.07 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 74 V 9.40 4.96 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 0.82 0.00 0.00 1.10 0.00 0.00 75 S 8.83 5.11 0.00 3.91 3.63 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 76 I 7.68 4.69 1.95 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.75 0.96 0.00 0.00 77 R 9.04 3.93 0.00 1.77 1.83 0.00 3.26 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 78 K 8.64 4.24 0.00 1.79 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.38 7.81 79 A 7.58 4.77 1.26 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 80 K 8.15 3.83 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.56 7.81 81 D 7.66 5.01 0.00 2.73 2.74 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 82 A 8.47 4.04 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 83 R 8.12 3.96 0.00 2.02 2.04 0.00 3.44 0.00 0.00 3.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.04 0.00 84 E 8.06 4.09 0.00 2.08 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 0.00 2.42 2.43 0.00 85 D 8.78 4.42 0.00 2.90 2.84 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 0.00 0.00 0.00 86 F 8.46 3.94 0.00 3.01 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 87 A 8.04 3.56 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 88 A 7.82 3.79 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 89 S 7.47 3.78 0.00 3.14 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 98 S 7.82 4.60 0.00 3.55 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 99 C 7.62 5.06 0.00 2.82 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 0.00 100 F 9.11 5.17 0.00 3.08 2.89 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 0.00 0.00 0.00 101 A 9.00 4.45 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 0.00 102 L 8.26 4.69 0.00 1.54 1.58 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.24 4.07 4.21 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 1.19 0.00 0.00 104 G 8.44 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 0.00 0.00 0.00 105 E 8.63 4.02 0.00 2.08 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 2.27 2.30 0.00 106 T 7.58 4.33 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 0.00 107 D 8.59 4.52 0.00 2.73 2.38 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 0.00 108 Y 8.44 5.39 0.00 3.10 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 0.00 109 L 9.39 5.28 0.00 1.88 1.76 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.67 5.28 0.00 1.84 1.70 1.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 9.36 4.65 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 112 A 8.67 5.13 1.20 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 0.00 0.00 0.00 113 F 8.10 4.77 0.00 2.67 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 0.00 114 F 9.28 5.02 0.00 3.03 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 0.00 115 T 9.24 4.43 4.30 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 1.32 0.00 0.00 116 D 8.11 4.77 0.00 2.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.80 4.65 0.00 2.96 2.98 0.00 0.00 7.48 7.31 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 0.00 119 A 8.20 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 0.00 120 F 8.01 3.26 0.00 2.76 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 0.00 121 S 7.93 3.89 0.00 3.97 4.08 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 0.00 0.00 0.00 0.00 122 H 7.86 4.29 0.00 3.29 3.36 0.00 5.62 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 0.00 123 F 7.80 4.07 0.00 2.96 2.80 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 0.00 0.00 0.00 124 V 7.25 2.93 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 0.83 0.00 0.00 -0.20 0.00 0.00 125 L 7.94 3.80 0.00 1.55 1.61 0.83 1.03 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 0.00 126 D 7.90 4.52 0.00 2.71 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 0.00 127 T 7.10 4.23 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 0.12 0.00 0.00 128 L 6.95 3.44 0.00 0.65 1.21 1.15 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.69 4.11 0.00 1.60 1.64 0.86 0.94 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 0.00 130 S 7.13 4.49 0.00 4.08 4.10 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 0.00 131 H 7.67 4.67 0.00 3.57 3.53 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.22 4.05 0.00 3.29 3.42 0.00 5.58 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 0.00 133 G 7.58 3.68 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 0.00 134 V 7.95 3.98 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 0.69 0.00 0.00 1.07 0.00 0.00 135 Q 8.82 4.22 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.31 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 136 D 7.69 4.74 0.00 2.79 2.42 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 0.00 137 A 8.63 5.29 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 0.00 138 Q 9.05 4.40 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 139 S 8.78 4.86 0.00 3.90 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 0.00 140 S 8.51 4.68 0.00 3.82 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 0.00 141 F 8.42 5.29 0.00 2.84 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 0.00 142 V 8.72 3.88 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 0.86 0.00 0.00 1.16 0.00 0.00 143 L 8.68 4.48 0.00 1.70 1.72 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.65 4.38 0.00 1.69 1.66 0.00 1.78 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 1.36 1.44 7.81 145 E 8.65 4.41 0.00 2.06 1.94 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 2.35 2.46 0.00 146 I 8.14 3.91 1.89 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 1.31 0.54 0.92 0.00 0.00 147 K 7.48 4.52 0.00 1.68 1.64 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.45 7.81 148 H 8.23 4.49 0.00 3.21 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.22 4.74 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 1.24 0.00 0.00 150 T 8.55 4.17 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 1.26 0.00 0.00 151 S 7.79 4.37 0.00 3.93 3.97 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 0.00 0.00 0.00 152 L 7.69 4.35 0.00 1.83 1.61 0.93 1.04 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 0.00 153 P 0.00 4.56 0.00 2.21 2.06 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 154 L 8.32 4.71 0.00 1.67 1.63 0.92 0.75 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 0.00 155 N 8.08 4.56 0.00 2.77 2.86 0.00 0.00 6.84 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 8.12 4.37 0.00 3.27 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.39 4.11 0.00 1.64 1.69 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.28 4.16 0.00 1.73 1.57 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.