NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6715 8.3501 109.7281 45.2428 0.0000 172.9137 *2 A 3.9068 8.3865 125.1473 51.9486 19.8440 175.9149 3 R 4.6525 7.7748 119.8724 54.4782 33.5074 174.6172 4 Y 5.3714 8.6640 118.8893 56.1761 42.2178 174.3980 5 I 5.2198 9.1789 115.9647 59.4157 41.1059 174.0350 6 N 5.3747 9.1047 121.7188 52.1782 40.8926 174.0770 7 I 4.7297 8.8223 123.3599 59.7830 40.5924 174.7055 8 T 4.9438 8.5612 123.1523 61.6869 72.9656 173.0219 9 L 4.7046 8.7184 126.5239 53.5744 42.3752 177.6579 10 E 3.9250 8.8144 125.3301 59.1953 29.8820 178.9105 11 K 4.0561 8.8356 119.4935 59.5760 32.3018 178.5312 12 R 3.9399 8.2466 116.2519 57.1593 30.1269 176.7648 13 G 3.7429 7.9833 105.5397 46.8427 0.0000 173.5412 14 V 4.4240 7.6502 118.5518 60.9391 34.3392 174.2251 15 T 5.2514 8.5799 123.7279 61.8639 71.9773 172.6647 16 C 5.0103 9.0826 119.2080 56.2891 34.0495 172.3091 17 K 5.2165 8.8771 119.4852 54.5609 35.0085 174.4938 18 A 5.3101 9.2708 128.0970 49.8440 22.7516 174.8705 19 L 4.1257 8.8524 124.2203 54.6035 43.3084 175.7606 20 L 4.5144 8.4311 129.8249 54.4797 42.7275 177.8811 21 L 4.3879 8.9308 129.4363 53.5918 40.1619 177.3718 22 D 4.3352 7.7371 120.0355 56.9251 41.7829 178.4028 23 D 4.4214 8.1498 118.0127 55.9996 39.7163 177.6504 24 V 4.0810 7.6600 109.9603 60.8554 33.4430 175.6327 25 A 4.7667 8.1526 122.8862 49.6298 18.8666 175.1175 26 P 4.3114 0.0000 0.0000 65.5271 31.9266 179.0436 27 R 3.8463 8.4719 117.9307 59.2321 29.9765 179.1957 28 T 3.4583 8.5508 115.9566 66.3749 68.3555 176.9601 29 S 4.2254 8.3380 117.5523 61.6187 62.9333 176.7972 30 K 3.9525 8.2718 121.9711 59.4385 31.7486 178.4121 31 A 4.0784 7.8691 119.9557 55.3372 18.5531 179.6350 32 V 3.5788 7.7868 116.4106 65.8070 31.8436 177.6983 33 W 4.2371 8.3811 128.3008 61.0350 30.2835 177.6842 34 D 4.4835 8.3615 116.6038 56.5257 40.3106 177.6107 35 A 4.4243 7.4157 118.5090 50.8880 19.7608 177.1533 36 L 3.9944 6.7049 117.6924 53.5894 42.3690 175.1981 37 P 4.7177 0.0000 0.0000 62.8694 32.6098 175.3809 38 Q 4.6915 8.8743 120.2539 54.2598 32.0265 174.6811 39 S 5.0677 8.5499 117.7962 57.3289 65.5885 172.6517 40 S 4.5741 9.1170 120.3555 56.9209 66.6115 173.0461 41 Q 4.2734 8.7321 123.2416 56.9006 28.7413 176.8673 42 V 4.1107 7.7733 125.3515 61.1605 33.1621 175.4658 43 F 4.7874 8.5045 120.0370 55.9622 43.1873 173.3276 44 H 5.0745 8.9618 121.9022 54.8482 30.9183 175.1544 45 G 3.9150 8.8979 113.0207 46.7471 0.0000 173.4480 46 K 4.7046 8.7197 120.1628 56.1388 34.0302 176.8874 47 Y 4.6327 7.5470 114.2236 57.4191 39.8412 176.0855 48 A 4.8344 7.3670 119.5249 50.9330 20.8604 178.2887 49 R 3.8655 8.4113 119.8299 57.3374 28.5275 178.3825 50 N 4.2155 6.0917 113.6784 51.8354 37.0176 173.8904 51 E 4.9026 7.6439 120.6985 54.0812 33.9806 174.7792 52 I 5.2135 8.2665 119.3403 59.6894 41.3697 173.5291 53 Y 5.4387 8.2457 119.5530 56.6398 41.7999 172.3600 54 N 5.8066 9.3999 117.1332 51.1772 41.5572 172.9739 55 L 5.4574 8.7026 117.8501 53.2612 44.8535 176.7132 56 V 4.7076 9.0457 116.4075 58.5795 36.2766 173.4338 57 P 4.6640 0.0000 0.0000 62.4079 31.9392 176.1900 58 A 3.7851 8.3015 125.0054 52.8236 18.1897 177.5972 59 F 4.7993 7.6080 113.4986 56.2770 39.8811 175.5207 60 A 4.4004 7.5041 123.7599 51.0414 18.9835 175.4453 61 P 4.4529 0.0000 0.0000 65.0033 31.6683 177.0988 62 K 4.6708 7.4848 113.9375 54.7060 35.1386 175.6694 63 E 4.1245 8.5037 120.1798 55.6408 30.0415 176.6397 64 P 4.1188 0.0000 0.0000 63.6296 31.6409 177.5684 65 G 3.7692 7.2895 107.5059 43.8457 0.0000 172.6994 66 A 4.0764 8.2849 121.2536 52.5186 18.4904 176.9305 67 E 4.4126 9.3076 123.5083 56.0598 33.4523 174.5551 68 N 4.0894 8.8031 125.2406 54.6606 37.4875 173.4631 69 T 4.7592 7.4482 106.0878 61.4450 70.7811 174.0027 70 T 4.5958 8.5475 116.3219 60.7107 70.6423 174.5851 71 V 4.4228 8.2089 117.7680 61.3748 33.0695 175.4496 72 T 4.9308 7.6936 109.6943 59.4153 66.9137 172.1743 73 P 4.5258 0.0000 0.0000 63.3724 32.8648 177.0388 74 I 4.6125 8.6770 114.5975 57.9792 41.3097 173.0782 75 P 4.6336 0.0000 0.0000 64.5444 31.5712 177.1909 76 G 4.0629 9.8095 112.3709 44.9135 0.0000 172.9186 77 D 4.7434 8.2020 120.6840 54.7028 42.1939 175.5135 78 V 4.9511 8.6627 122.9460 61.3881 33.9295 174.1121 79 C 5.6914 9.5215 125.1540 58.1570 32.3932 172.1658 80 Y 5.2232 8.9395 122.8731 55.9198 41.2211 174.3230 81 F 5.1466 9.1330 124.8158 55.9214 42.9190 174.0974 82 T 4.5354 8.3769 119.4398 62.5025 69.5231 174.0645 83 F 5.3725 9.4439 124.8983 55.9232 43.6886 174.2082 84 T 4.9458 8.9659 110.2606 60.0308 71.2282 175.8771 85 S 4.1435 8.5350 117.8514 61.9057 61.7484 177.2024 86 N 4.4784 7.9901 116.5367 56.2955 38.4522 177.1216 87 D 4.6593 7.9639 116.9057 56.3461 41.1784 177.0253 88 L 4.0889 7.2566 118.7179 56.4939 43.7646 178.4784 89 K 4.4717 8.2421 121.2743 53.5529 30.1039 178.3506 90 T 4.8223 7.3991 113.9907 58.2952 73.4414 172.9519 91 P 4.2312 0.0000 0.0000 66.1814 31.5197 178.8923 92 S 4.1826 8.0161 110.6371 61.3989 62.7962 175.6459 93 H 4.2169 7.8304 119.1107 56.3539 28.9554 176.0824 94 G 3.9163 7.9510 106.9771 46.3654 0.0000 173.5094 95 Y 4.2322 7.8054 115.8526 57.8909 38.4628 176.6826 96 E 4.1787 8.8613 120.6308 57.5997 29.7345 176.3633 *105 Q 4.1194 7.7922 120.4852 56.3196 30.8729 173.7188 106 T 4.9908 8.3113 121.9700 62.4005 70.6814 173.5996 107 I 5.0018 9.0319 127.0307 59.4326 40.9953 174.5005 108 V 4.5404 9.0600 126.2396 61.1135 33.9805 173.6773 109 D 5.4903 8.8448 127.3820 52.7194 43.4893 174.6100 110 L 5.2810 8.7824 126.0541 53.2335 43.6714 175.4107 111 A 5.5671 9.6167 126.4108 50.0801 22.6764 174.7452 112 V 4.8178 9.0633 120.6587 61.1580 34.6549 174.3103 113 F 5.1178 9.4288 127.5183 56.3201 40.2304 175.6446 114 Y 4.7539 8.5953 122.0097 57.0247 38.8573 175.3382 115 G 3.9619 7.4634 107.7386 44.8327 0.0000 170.7103 116 R 4.5683 8.0384 115.3842 54.8179 32.2139 174.3504 117 N 4.1736 8.4832 111.2205 54.8694 35.5983 174.0078 118 N 5.1026 7.9948 113.5249 51.5972 41.3289 175.5567 119 L 4.9431 8.3796 121.5919 53.0808 45.4050 176.3239 120 L 4.9825 9.2060 126.0960 53.1974 40.5005 174.2854 121 L 5.0262 7.9678 121.6701 53.6041 45.5430 173.8209 122 N 4.6356 9.0504 123.1682 50.9513 41.2092 175.0105 123 G 3.7534 8.3045 106.2116 46.0107 0.0000 174.7261 124 D 4.4451 8.1210 120.9997 56.7603 40.9536 177.6410 125 T 4.6033 7.8440 103.3742 60.3858 71.6418 173.8127 126 G 3.8569 7.7139 109.0150 43.9790 0.0000 175.6999 127 W 4.8584 8.5395 123.8234 56.4574 29.5667 175.5059 128 V 4.6426 9.0015 123.8346 60.1844 30.5967 172.5241 129 P 4.7196 0.0000 0.0000 62.1585 32.4035 175.7243 130 G 3.4145 8.7093 110.4912 44.0360 0.0000 172.1606 131 N 5.0596 8.3560 120.3199 51.8649 39.7496 174.6715 132 V 4.5267 8.4191 125.8670 62.4305 31.6411 175.4417 133 F 5.0924 9.2081 122.3437 56.5845 40.0463 174.5190 134 A 5.0423 7.1049 120.0859 50.9139 23.1119 174.6436 135 T 4.9975 8.6255 113.3838 60.1683 70.6259 173.1849 136 I 4.3975 8.8260 130.8979 61.7033 37.1642 176.2988 137 V 4.4786 9.1476 119.4585 61.3356 33.9836 175.8394 138 E 4.5065 7.9059 119.5172 55.4817 33.8245 176.1708 139 G 4.1039 9.0199 110.8440 45.5860 0.0000 175.0400 140 L 4.0072 8.0154 122.8546 57.9729 42.6361 178.1197 141 D 4.5535 8.2282 118.1029 57.5983 41.2306 179.0877 142 E 3.9579 7.7132 115.8827 56.8419 28.9607 178.7418 *144 A 4.0863 8.2027 123.6254 52.2228 20.7888 179.8036 145 A 3.9659 8.1079 117.2923 55.2839 18.3639 179.6873 146 A 3.9113 8.2040 119.5068 55.5510 18.3969 179.7252 147 C 3.9245 7.5582 114.7180 62.8115 27.8833 176.1114 148 Q 4.1882 7.7636 119.0515 59.0448 28.3678 178.0664 149 D 4.4791 7.8413 118.1289 57.0310 41.4382 178.0717 150 I 4.1509 7.7997 122.1536 63.3704 36.9134 177.6944 151 W 4.5062 8.1318 125.2362 59.1033 30.4570 176.5842 *153 G 3.6455 7.9167 105.2923 44.9631 0.0000 173.6528 154 G 3.8623 8.4919 106.1871 45.3579 0.0000 173.7049 155 A 4.6408 8.0745 117.4436 51.3570 19.6930 176.3185 156 R 4.0757 7.9565 116.3319 58.3582 30.3882 176.0443 157 D 4.3675 8.6884 120.1036 55.0220 39.0181 172.4925 158 E 4.6508 7.8688 120.1497 54.9167 32.0441 174.8618 159 T 4.9358 8.1608 121.5241 61.6693 72.7536 172.2381 160 L 4.8648 8.9185 129.1145 54.0306 43.9125 175.0518 161 T 5.1121 9.1250 123.4215 61.8119 71.6805 172.9256 162 F 5.2839 9.8602 126.0759 55.9479 41.2448 175.1631 163 S 4.9341 8.9830 117.0085 56.4836 66.9980 173.4492 164 R 4.1052 8.2963 119.6596 56.1258 30.5754 176.7121 165 A 4.4075 8.7326 124.2505 52.1756 18.6106 177.0672 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 0 G 8.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 3.91 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 3 R 7.77 4.65 0.00 1.22 0.98 0.00 2.21 0.00 0.00 2.73 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.00 4 Y 8.66 5.37 0.00 2.98 2.92 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 5 I 9.18 5.22 2.22 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.36 1.33 0.00 0.00 6 N 9.10 5.37 0.00 2.67 2.75 0.00 0.00 6.84 8.13 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 7 I 8.82 4.73 1.75 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.37 0.00 0.00 8 T 8.56 4.94 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 1.25 0.00 0.00 9 L 8.72 4.70 0.00 1.51 1.84 0.84 0.82 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 10 E 8.81 3.93 0.00 1.93 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 2.46 2.35 0.00 11 K 8.84 4.06 0.00 1.77 2.09 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.38 7.81 12 R 8.25 3.94 0.00 1.84 1.94 0.00 3.36 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 13 G 7.98 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 14 V 7.65 4.42 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 1.07 0.00 0.00 0.94 0.00 0.00 15 T 8.58 5.25 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 1.19 0.00 0.00 16 C 9.08 5.01 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 17 K 8.88 5.22 0.00 1.85 1.65 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.61 7.81 18 A 9.27 5.31 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 19 L 8.85 4.13 0.00 1.85 1.57 0.50 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.43 4.51 0.00 1.75 1.49 1.34 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.93 4.39 0.00 1.80 1.59 0.90 1.05 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 22 D 7.74 4.34 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.42 0.00 2.75 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 24 V 7.66 4.08 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 0.70 0.00 0.00 0.91 0.00 0.00 25 A 8.15 4.77 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 26 P 0.00 4.31 0.00 2.23 2.43 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 27 R 8.47 3.85 0.00 1.97 1.92 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 28 T 8.55 3.46 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 0.46 0.00 0.00 29 S 8.34 4.23 0.00 3.99 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 30 K 8.27 3.95 0.00 1.88 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.51 7.81 31 A 7.87 4.08 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 32 V 7.79 3.58 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 0.96 0.00 0.00 0.65 0.00 0.00 33 W 8.38 4.24 0.00 3.59 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 34 D 8.36 4.48 0.00 2.85 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 35 A 7.42 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 6.70 3.99 0.00 1.32 1.42 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.72 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 38 Q 8.87 4.69 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 39 S 8.55 5.07 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.12 4.57 0.00 4.00 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 41 Q 8.73 4.27 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 1.91 1.43 0.00 42 V 7.77 4.11 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 0.56 0.00 0.00 0.89 0.00 0.00 43 F 8.50 4.79 0.00 1.51 2.59 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 44 H 8.96 5.07 0.00 3.30 3.35 0.00 5.74 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 45 G 8.90 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 46 K 8.72 4.70 0.00 1.79 1.91 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 47 Y 7.55 4.63 0.00 2.93 2.97 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 48 A 7.37 4.83 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 49 R 8.41 3.87 0.00 1.98 1.81 0.00 3.21 0.00 0.00 3.30 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.54 0.00 50 N 6.09 4.22 0.00 2.53 1.60 0.00 0.00 6.70 7.50 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 51 E 7.64 4.90 0.00 1.71 1.57 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 1.96 1.47 0.00 52 I 8.27 5.21 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.89 0.00 0.00 53 Y 8.25 5.44 0.00 3.45 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 54 N 9.40 5.81 0.00 3.04 3.05 0.00 0.00 7.13 6.13 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 55 L 8.70 5.46 0.00 1.60 1.62 0.50 0.94 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 56 V 9.05 4.71 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 0.91 0.00 0.00 1.23 0.00 0.00 57 P 0.00 4.66 0.00 1.99 2.01 0.00 3.79 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 2.07 2.13 0.00 58 A 8.30 3.79 1.12 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 0.00 0.00 59 F 7.61 4.80 0.00 3.07 3.18 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 60 A 7.50 4.40 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 61 P 0.00 4.45 0.00 2.06 2.15 0.00 3.69 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 2.06 2.12 0.00 62 K 7.48 4.67 0.00 1.77 1.70 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.42 7.81 63 E 8.50 4.12 0.00 1.99 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 2.36 2.22 0.00 64 P 0.00 4.12 0.00 1.93 1.89 0.00 3.73 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.02 0.00 65 G 7.29 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 66 A 8.28 4.08 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 67 E 9.31 4.41 0.00 1.88 1.65 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 0.00 2.16 2.19 0.00 68 N 8.80 4.09 0.00 3.09 2.85 0.00 0.00 6.97 7.22 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 69 T 7.45 4.76 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 1.23 0.00 0.00 70 T 8.55 4.60 4.16 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 1.09 0.00 0.00 71 V 8.21 4.42 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 0.79 0.00 0.00 0.37 0.00 0.00 72 T 7.69 4.93 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 1.20 0.00 0.00 73 P 0.00 4.53 0.00 0.79 1.34 0.00 3.69 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.00 74 I 8.68 4.61 1.86 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 1.46 0.92 0.93 0.00 0.00 75 P 0.00 4.63 0.00 2.10 2.10 0.00 3.67 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 2.05 2.18 0.00 76 G 9.81 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 77 D 8.20 4.74 0.00 2.87 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 78 V 8.66 4.95 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 0.96 0.00 0.00 0.97 0.00 0.00 79 C 9.52 5.69 0.00 3.24 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 80 Y 8.94 5.22 0.00 2.79 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 81 F 9.13 5.15 0.00 2.46 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 0.00 0.00 0.00 82 T 8.38 4.54 4.20 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 1.18 0.00 0.00 83 F 9.44 5.37 0.00 2.85 2.78 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 84 T 8.97 4.95 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 85 S 8.53 4.14 0.00 3.94 3.96 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 86 N 7.99 4.48 0.00 2.84 2.88 0.00 0.00 6.94 7.96 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 87 D 7.96 4.66 0.00 2.79 2.58 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 88 L 7.26 4.09 0.00 1.43 1.41 0.81 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.24 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0.00 0.00 0.00 0.00 0.00 6.49 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 106 T 8.31 4.99 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 1.22 0.00 0.00 107 I 9.03 5.00 1.93 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 1.11 1.03 0.97 0.00 0.00 108 V 9.06 4.54 1.87 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 0.14 0.00 0.00 0.33 0.00 0.00 109 D 8.84 5.49 0.00 3.05 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 0.00 110 L 8.78 5.28 0.00 1.77 1.08 0.51 0.59 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 0.00 111 A 9.62 5.57 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 4.82 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 1.07 0.00 0.00 1.08 0.00 0.00 113 F 9.43 5.12 0.00 3.15 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 122 N 9.05 4.64 0.00 1.94 1.42 0.00 0.00 6.46 6.77 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 0.00 123 G 8.30 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 0.00 0.00 0.00 124 D 8.12 4.45 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 4.60 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 1.22 0.00 0.00 126 G 7.71 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 0.00 0.00 0.00 127 W 8.54 4.86 0.00 3.22 3.10 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 0.00 128 V 9.00 4.64 2.41 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 1.17 0.00 0.00 1.08 0.00 0.00 129 P 0.00 4.72 0.00 2.00 1.97 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 130 G 8.71 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 0.00 0.00 0.00 131 N 8.36 5.06 0.00 2.87 2.74 0.00 0.00 6.53 7.21 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 0.00 132 V 8.42 4.53 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 0.79 0.00 0.00 0.89 0.00 0.00 133 F 9.21 5.09 0.00 3.09 3.18 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 0.00 134 A 7.10 5.04 0.98 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 0.00 0.00 135 T 8.63 5.00 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 1.23 0.00 0.00 136 I 8.83 4.40 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.99 0.00 0.00 137 V 9.15 4.48 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 0.85 0.00 0.00 1.10 0.00 0.00 138 E 7.91 4.51 0.00 1.85 1.76 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 2.27 2.28 0.00 139 G 9.02 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 0.00 0.00 0.00 140 L 8.02 4.01 0.00 1.64 1.75 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.23 4.55 0.00 2.76 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 0.00 142 E 7.71 3.96 0.00 2.08 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 2.32 2.30 0.00 *144 A 8.20 4.09 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 0.00 145 A 8.11 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 0.00 146 A 8.20 3.91 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 0.00 147 C 7.56 3.92 0.00 1.70 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 0.00 0.00 0.00 148 Q 7.76 4.19 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.01 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 149 D 7.84 4.48 0.00 2.68 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 0.00 150 I 7.80 4.15 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.23 0.95 0.00 0.00 151 W 8.13 4.51 0.00 3.07 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 *153 G 7.92 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.49 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 0.00 0.00 0.00 155 A 8.07 4.64 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 0.00 156 R 7.96 4.08 0.00 1.78 1.87 0.00 3.52 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 157 D 8.69 4.37 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 E 7.87 4.65 0.00 2.03 1.82 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 0.00 2.15 2.22 0.00 159 T 8.16 4.94 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 1.22 0.00 0.00 160 L 8.92 4.86 0.00 1.69 1.55 0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 161 T 9.13 5.11 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 1.20 0.00 0.00 162 F 9.86 5.28 0.00 3.00 3.06 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 0.00 163 S 8.98 4.93 0.00 3.79 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 0.00 164 R 8.30 4.11 0.00 1.43 1.56 0.00 2.74 0.00 0.00 2.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 165 A 8.73 4.41 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.