NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4495 8.3349 115.2901 58.0863 63.5820 172.7587 6 D 4.8704 8.3981 124.3258 52.1068 43.9278 174.1000 7 L 4.6792 8.8464 122.8602 53.0187 46.7201 175.6559 8 I 3.9023 8.2254 123.9024 60.4256 37.6697 174.5033 9 P 4.3450 0.0000 0.0000 62.1394 31.8634 176.1398 10 A 3.4188 8.3190 125.0813 51.1504 18.9372 175.9946 11 P 4.3095 0.0000 0.0000 61.1318 32.5254 174.5112 12 P 4.2712 0.0000 0.0000 62.5172 31.9434 177.4410 13 L 3.9563 8.5467 121.3888 57.5353 41.7904 179.6181 14 S 4.0725 7.9382 112.2745 60.8768 62.8876 175.1196 15 K 4.0559 8.0617 118.4486 56.3384 31.9933 176.6736 16 V 4.1193 6.9788 119.8255 60.1149 31.7207 173.5566 17 P 4.4213 0.0000 0.0000 62.2762 31.9920 175.0217 18 L 5.0279 7.8808 121.3982 52.8298 44.4112 175.7864 19 Q 4.0521 8.7229 127.9877 56.6497 29.4702 176.1906 20 Q 4.0247 8.8022 125.7986 56.2546 29.4466 175.8449 21 N 4.1131 8.7183 121.2674 54.3058 37.2279 174.4345 22 F 4.2260 8.1979 119.2227 58.8282 40.3806 174.4481 23 Q 4.3263 8.7471 128.2833 54.1820 29.6909 176.2038 24 D 4.9278 8.7377 128.5697 55.8673 39.4651 178.0106 25 N 4.5391 8.0481 117.1841 55.5949 37.5760 176.7583 26 Q 4.0883 7.7722 119.3865 58.3974 29.0385 177.4866 27 F 4.7661 8.1028 121.1028 59.7155 39.8228 175.7042 28 Q 4.4885 7.1995 115.5051 57.2264 29.2592 174.8814 29 G 3.5764 8.7678 104.5037 43.9430 0.0000 171.7930 30 K 4.6059 8.0918 120.3542 55.0716 33.2385 177.0219 31 W 4.6064 8.6415 126.5680 54.9823 32.7239 174.0298 32 Y 4.6855 9.1459 121.3942 56.9263 39.4168 175.6212 33 V 4.4518 8.3740 124.7444 62.7617 29.7997 175.6842 34 V 4.0344 8.3873 119.9252 62.4395 32.7378 176.3727 35 G 3.5909 7.9661 107.1100 44.0113 0.0000 171.8029 36 L 5.1337 9.1843 124.9349 53.3673 45.4916 174.7272 37 A 5.3453 8.6609 127.4416 49.1128 22.7156 174.8608 38 G 3.8795 8.0099 107.0747 45.8149 0.0000 174.0302 39 N 4.2052 7.6168 117.5118 54.5027 37.5023 176.0478 40 A 4.5177 7.6633 120.0967 52.7921 19.9570 177.2815 41 I 4.0036 7.3156 120.0077 61.6472 37.8502 175.8318 42 L 4.7558 8.1199 125.5438 52.8700 44.6724 175.5592 43 R 4.0798 9.0274 125.0727 56.1242 29.7079 175.9760 *47 D 4.5945 8.3887 123.9134 51.2570 41.5819 170.7510 48 P 4.4519 0.0000 0.0000 63.4341 32.4042 177.3660 49 Q 4.1836 8.6300 121.3285 56.2585 28.8526 176.6061 50 K 4.7523 8.6886 124.1518 54.7045 33.4473 176.6677 51 M 4.4532 8.8541 124.6613 55.9653 33.0381 174.8373 52 Y 5.1667 8.2837 121.6059 55.3595 42.3516 173.6383 53 A 5.2428 8.6731 120.8568 50.7103 22.6590 175.9118 54 T 4.8991 8.6624 115.4454 62.0157 72.9282 173.1290 55 I 4.6582 8.6871 128.1798 60.1019 39.3498 174.6718 56 Y 4.2156 9.5008 129.1733 57.2861 38.5915 175.1571 57 E 4.7435 8.6808 124.0486 54.7492 30.9105 173.6638 58 L 4.2109 8.6560 128.6581 53.8223 41.6198 176.2234 59 K 3.9305 8.7210 131.9346 59.1934 32.4040 178.7684 *62 K 4.3165 7.7258 120.3439 54.5239 34.1631 178.0065 63 S 4.7083 7.8289 115.2292 59.0338 64.4054 171.8253 64 Y 5.1606 8.8587 119.6456 56.4047 40.3143 175.1461 65 N 4.8298 9.1799 123.3249 52.2041 39.8297 172.9727 66 V 3.8980 8.4771 127.1229 61.6763 32.8842 174.3253 67 T 4.8841 8.2642 122.5654 60.3619 70.5176 172.4155 68 S 5.1465 9.2643 127.9912 57.7186 65.3331 174.2982 69 V 4.0467 8.8270 125.4467 60.2801 32.5260 171.3422 70 L 4.9332 8.6690 127.4284 51.9683 44.5760 175.8865 71 F 5.3290 8.9528 127.8158 57.6159 40.3175 175.8602 72 R 4.1918 8.7073 127.3108 56.1396 33.3915 172.5740 73 K 4.0110 9.0341 125.1607 55.7078 28.9098 173.8020 74 K 4.0961 7.6846 115.2612 55.5305 29.4189 177.4269 75 K 4.7633 7.4319 116.4787 55.9538 36.3360 174.8713 76 C 5.0585 8.7664 119.0930 56.4464 39.2176 172.8713 77 D 4.9313 9.3616 125.6442 52.9790 42.9953 175.6881 78 Y 4.9919 8.6460 121.5190 56.8305 40.6701 175.8159 *79 W 4.5437 8.8077 131.2064 56.1494 29.7690 172.8942 80 I 4.9324 8.4016 128.0776 58.7621 37.2031 172.3864 81 R 4.8096 9.3055 125.8308 55.3241 34.6887 171.7787 82 T 4.9795 8.4824 113.7723 62.8321 72.0654 173.1261 83 F 5.8074 8.9070 125.3412 56.1572 41.2490 174.8051 84 V 4.7477 9.1795 124.9819 60.5163 33.3662 173.3651 85 P 4.6419 0.0000 0.0000 63.4749 31.4766 176.7504 86 G 4.1044 8.3810 116.3325 46.1716 0.0000 174.8264 87 S 4.3698 8.8830 115.1170 60.3473 63.8843 174.6755 88 Q 4.6651 7.4437 117.9078 52.6291 31.4912 173.1416 89 P 4.3922 0.0000 0.0000 64.0509 32.0367 176.3394 90 G 2.8251 8.3702 110.7173 44.5305 0.0000 172.7311 91 E 4.7145 7.1652 118.9321 55.0719 31.4613 175.5887 92 F 5.5427 9.0063 121.2664 56.1555 44.0876 173.6851 93 T 5.0236 9.2062 111.3706 59.5927 72.1681 172.9766 94 L 4.6806 8.6627 125.3187 54.7486 42.5596 176.6828 95 G 3.7819 9.9326 118.6613 47.2230 0.0000 173.5425 96 N 4.4148 8.9699 119.9124 52.9840 35.1046 174.4399 97 I 4.0486 7.9213 121.4851 64.6256 38.4780 177.3714 98 K 4.2674 8.0563 117.9923 58.1043 32.1240 177.6436 99 S 4.2233 7.8220 112.0894 59.0970 63.1661 173.5387 100 Y 4.4200 7.6695 120.9889 55.6514 38.2559 173.2970 101 P 4.4530 0.0000 0.0000 64.2793 31.7760 175.4272 102 G 4.0886 9.1143 111.7800 45.3860 0.0000 172.3877 103 L 4.4186 7.3895 120.2154 55.5613 41.7735 175.8875 104 T 4.5055 8.9844 117.9257 62.8738 70.3883 175.3949 105 S 4.9573 7.8833 116.0471 56.9030 67.5089 172.8097 106 Y 4.9650 8.3190 122.1259 56.6565 41.6956 173.4826 107 L 5.0178 9.1647 128.3897 53.3396 46.1023 174.8992 108 V 4.5981 8.9768 125.4283 61.1018 34.9498 174.5984 109 R 4.4199 8.7183 127.6563 54.6241 33.1015 174.2045 110 V 3.6983 8.2248 128.4195 63.0755 31.6906 176.8331 111 V 4.2008 9.1424 129.5233 64.9786 31.6167 176.1394 112 S 4.8287 7.3963 113.2002 57.8232 66.1148 172.6812 113 T 4.5091 8.4295 113.3852 61.6936 70.3279 172.7858 114 N 4.7048 8.2263 124.3081 52.2910 37.9607 174.9927 115 Y 4.4012 8.3331 125.2988 60.3976 37.1055 171.6682 116 N 4.5349 8.3229 114.1172 54.4061 38.2763 176.1386 117 Q 4.7816 8.4388 115.5438 57.4471 31.4112 174.9333 118 H 5.9376 9.3664 112.6809 54.4341 32.9570 171.1334 119 A 4.7549 8.5997 118.0586 51.2164 23.1203 175.1810 120 M 4.9512 9.3370 121.1622 53.4331 35.1230 174.9931 121 V 4.5642 8.3167 123.6465 60.8644 34.7745 173.7555 122 F 5.1066 9.0921 130.6161 56.8561 41.2388 174.1855 123 F 5.0312 8.6643 124.6597 55.3377 42.1163 174.1083 124 K 4.9876 8.7274 124.6066 54.3797 35.4176 174.9058 125 K 5.0021 8.9704 124.7672 55.2851 36.9129 175.4018 126 V 4.9693 8.7947 121.8374 61.3523 33.8560 174.2622 127 S 5.2269 8.5057 122.3461 55.8901 66.2048 174.4133 128 Q 3.2782 9.5136 121.1816 57.3979 25.9604 173.7509 129 N 4.2308 8.5199 110.6186 53.8930 36.7778 174.1243 130 R 4.3304 7.6632 118.1974 54.2131 31.8250 174.8099 131 E 4.5814 8.4518 124.1375 55.8235 30.0712 174.8806 132 Y 5.1572 8.7958 125.4518 56.6941 41.0471 174.9427 133 F 5.4431 8.9495 115.4388 55.8650 41.8896 173.1697 134 K 4.8051 9.0754 118.8537 55.6110 36.6155 174.7295 135 I 5.1474 9.3991 123.6677 60.0649 40.0042 174.2627 136 T 4.8490 9.0046 122.4825 60.2516 69.8233 172.9410 137 L 4.4317 8.0621 131.4838 53.8442 43.1702 174.8215 138 Y 5.3126 9.1338 125.8329 57.3331 40.0462 175.2254 139 G 4.7093 9.3499 108.7295 44.7300 0.0000 173.7053 140 R 4.0986 9.2912 124.7176 58.3267 30.7838 176.3227 141 T 4.6369 7.8091 107.7783 59.5792 71.1125 174.1082 142 K 3.9718 8.2230 121.4449 58.0187 32.3386 177.6059 143 E 4.8427 7.6001 112.7203 54.0214 33.5929 179.8719 144 L 4.9464 8.1902 120.4385 53.8808 46.2709 177.2565 145 T 4.0935 8.3307 114.0038 61.6334 69.3272 175.6274 146 S 4.4994 8.4170 121.6764 58.8237 62.0780 177.6280 *148 L 4.3512 7.9438 123.9047 54.8559 43.5219 181.6130 149 K 4.5327 8.2826 121.6705 59.8368 31.8997 180.2040 150 E 4.1234 8.8020 119.2673 61.1430 29.8041 181.1912 151 N 4.5933 8.2490 117.8674 56.4699 39.0697 176.5736 152 F 4.4292 8.5825 122.1882 61.2641 39.3954 177.2347 153 I 3.5407 7.8526 119.3429 64.4235 37.1923 178.7184 154 R 3.9846 8.0298 116.4548 58.6687 29.1567 178.6653 155 F 4.2888 8.0000 122.9131 60.8479 39.5073 177.2829 156 S 3.8673 7.8763 114.7615 61.5355 62.4479 176.9569 157 K 4.4629 8.5787 123.0924 58.7945 31.6762 179.5502 158 S 4.1336 7.8171 114.0372 60.7633 62.7480 175.7895 159 L 4.1457 6.9895 120.6113 54.3311 41.7264 177.0223 160 G 3.9959 7.2354 105.3712 45.1254 0.0000 174.0946 161 L 4.1801 8.1009 121.9812 53.3529 42.3401 175.5000 162 P 4.9001 0.0000 0.0000 61.8362 32.8758 176.9217 163 E 4.0168 8.6617 117.0982 59.3608 29.6302 179.0000 164 N 4.5545 8.1869 114.9343 54.8406 37.9006 175.6240 165 H 4.7656 7.9895 115.4774 55.1624 29.3050 173.9497 166 I 4.6597 7.4633 121.5875 59.4838 38.6864 175.3625 167 V 4.5182 9.1478 126.6323 61.1202 35.3343 174.4187 168 F 5.1337 8.8710 124.7040 54.6285 40.1378 172.8124 169 P 4.6152 0.0000 0.0000 63.0026 32.1344 176.5412 170 V 3.9263 8.6229 117.6772 60.4633 32.5118 174.2209 171 P 4.7143 0.0000 0.0000 62.8419 31.9382 175.5362 172 I 4.6429 8.2212 117.4893 60.3113 40.8040 175.0483 173 D 4.7032 8.4011 117.5552 53.3722 41.0566 175.9510 174 Q 4.2060 7.5942 115.7786 56.8006 29.6298 175.3985 175 C 4.3412 8.8801 123.9225 58.1399 38.6592 175.8432 176 I 3.3180 7.7087 110.8708 63.1288 37.4592 175.5641 177 D 4.6127 7.5157 125.1443 54.3786 40.7930 176.0012 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 5 S 8.33 4.45 0.00 3.86 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 6 D 8.40 4.87 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.85 4.68 0.00 1.49 1.44 0.47 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.23 3.90 1.89 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 1.39 0.42 1.03 0.00 0.00 9 P 0.00 4.34 0.00 1.99 1.95 0.00 3.68 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 2.00 2.07 0.00 10 A 8.32 3.42 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 11 P 0.00 4.31 0.00 1.86 1.87 0.00 3.05 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 12 P 0.00 4.27 0.00 2.14 2.13 0.00 3.55 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 1.95 1.90 0.00 13 L 8.55 3.96 0.00 1.74 1.69 0.92 0.83 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 14 S 7.94 4.07 0.00 3.91 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 15 K 8.06 4.06 0.00 1.64 1.72 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.25 7.81 16 V 6.98 4.12 1.77 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 0.41 0.00 0.00 -0.23 0.00 0.00 17 P 0.00 4.42 0.00 2.11 1.90 0.00 3.62 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 18 L 7.88 5.03 0.00 1.49 1.43 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.72 4.05 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 20 Q 8.80 4.02 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 21 N 8.72 4.11 0.00 2.84 2.88 0.00 0.00 7.04 7.02 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 22 F 8.20 4.23 0.00 3.03 2.94 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 23 Q 8.75 4.33 0.00 1.33 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 24 D 8.74 4.93 0.00 3.17 3.36 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 25 N 8.05 4.54 0.00 3.16 3.00 0.00 0.00 6.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.77 4.09 0.00 1.38 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.15 0.00 0.00 0.00 0.00 0.00 1.93 2.29 0.00 27 F 8.10 4.77 0.00 3.26 3.42 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 28 Q 7.20 4.49 0.00 2.72 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.58 2.38 0.00 29 G 8.77 3.58 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 30 K 8.09 4.61 0.00 1.57 1.37 0.00 0.78 0.00 0.00 1.09 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.01 1.25 7.81 31 W 8.64 4.61 0.00 2.51 2.65 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 32 Y 9.15 4.69 0.00 3.17 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 33 V 8.37 4.45 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.48 0.00 0.00 34 V 8.39 4.03 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 0.88 0.00 0.00 1.02 0.00 0.00 35 G 7.97 3.59 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 36 L 9.18 5.13 0.00 1.61 1.49 1.09 1.06 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 A 8.66 5.35 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 38 G 8.01 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 39 N 7.62 4.21 0.00 2.71 2.67 0.00 0.00 6.83 8.29 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 40 A 7.66 4.52 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 41 I 7.32 4.00 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.14 0.91 0.00 0.00 42 L 8.12 4.76 0.00 1.59 1.35 0.92 0.81 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 43 R 9.03 4.08 0.00 1.77 1.76 0.00 3.27 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 *47 D 8.39 4.59 0.00 2.72 2.62 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 48 P 0.00 4.45 0.00 2.07 2.06 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 49 Q 8.63 4.18 0.00 1.74 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.37 1.97 0.00 50 K 8.69 4.75 0.00 1.74 1.91 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.50 7.81 51 M 8.85 4.45 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 52 Y 8.28 5.17 0.00 3.24 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 53 A 8.67 5.24 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 54 T 8.66 4.90 4.31 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 1.07 0.00 0.00 55 I 8.69 4.66 1.87 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 1.23 1.14 0.91 0.00 0.00 56 Y 9.50 4.22 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 57 E 8.68 4.74 0.00 1.61 1.86 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 68 S 9.26 5.15 0.00 3.72 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 69 V 8.83 4.05 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 0.74 0.00 0.00 0.93 0.00 0.00 70 L 8.67 4.93 0.00 1.37 1.48 0.51 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.95 5.33 0.00 2.95 3.03 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 72 R 8.71 4.19 0.00 1.69 1.70 0.00 3.47 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 73 K 9.03 4.01 0.00 1.91 1.76 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 0.98 7.81 74 K 7.68 4.10 0.00 1.92 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.01 7.81 75 K 7.43 4.76 0.00 1.87 1.69 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 76 C 8.77 5.06 0.00 2.92 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 77 D 9.36 4.93 0.00 2.45 2.48 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 78 Y 8.65 4.99 0.00 2.80 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 *79 W 8.81 4.54 0.00 2.22 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 0.00 0.00 0.00 0.00 80 I 8.40 4.93 1.87 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 1.20 1.19 0.91 0.00 0.00 81 R 9.31 4.81 0.00 1.40 1.76 0.00 3.17 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 82 T 8.48 4.98 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 1.34 0.00 0.00 83 F 8.91 5.81 0.00 3.02 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 84 V 9.18 4.75 2.25 0.00 0.00 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0.00 0.00 134 K 9.08 4.81 0.00 1.91 1.79 0.00 1.24 0.00 0.00 1.56 0.00 0.00 2.37 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.31 1.60 7.81 135 I 9.40 5.15 2.16 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 1.43 0.00 0.00 136 T 9.00 4.85 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 0.46 0.00 0.00 137 L 8.06 4.43 0.00 0.27 0.95 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.13 5.31 0.00 2.56 2.63 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 0.00 139 G 9.35 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 0.00 0.00 0.00 0.00 140 R 9.29 4.10 0.00 1.74 1.86 0.00 2.21 0.00 0.00 2.69 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.00 141 T 7.81 4.64 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 0.00 142 K 8.22 3.97 0.00 1.53 1.69 0.00 1.38 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.71 0.24 7.81 143 E 7.60 4.84 0.00 1.98 1.64 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 2.14 2.12 0.00 144 L 8.19 4.95 0.00 1.62 1.60 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.33 4.09 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 0.00 146 S 8.42 4.50 0.00 3.65 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 *148 L 7.94 4.35 0.00 1.59 1.74 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.28 4.53 0.00 1.97 1.92 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.67 7.81 150 E 8.80 4.12 0.00 1.93 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 2.24 2.18 0.00 151 N 8.25 4.59 0.00 2.83 3.06 0.00 0.00 6.82 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 0.00 152 F 8.58 4.43 0.00 3.21 3.43 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 0.00 153 I 7.85 3.54 2.14 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.10 0.95 0.00 0.00 154 R 8.03 3.98 0.00 2.09 2.22 0.00 2.81 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 155 F 8.00 4.29 0.00 3.21 3.23 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 0.00 156 S 7.88 3.87 0.00 3.73 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 0.00 157 K 8.58 4.46 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.43 7.81 158 S 7.82 4.13 0.00 4.00 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 0.00 159 L 6.99 4.15 0.00 1.59 1.53 0.52 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.24 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.10 4.18 0.00 1.79 1.57 0.78 1.28 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 0.00 162 P 0.00 4.90 0.00 2.34 2.22 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.01 0.00 163 E 8.66 4.02 0.00 2.17 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 2.40 1.87 0.00 164 N 8.19 4.55 0.00 2.86 3.08 0.00 0.00 6.23 7.90 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 0.00 165 H 7.99 4.77 0.00 3.27 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.46 4.66 2.02 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.68 0.81 0.00 0.00 167 V 9.15 4.52 2.18 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 1.04 0.00 0.00 0.95 0.00 0.00 168 F 8.87 5.13 0.00 2.95 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 0.00 169 P 0.00 4.62 0.00 2.09 2.09 0.00 3.75 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 2.13 2.20 0.00 170 V 8.62 3.93 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 0.74 0.00 0.00 1.06 0.00 0.00 171 P 0.00 4.71 0.00 1.89 1.91 0.00 3.63 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 2.01 2.07 0.00 172 I 8.22 4.64 1.81 0.00 0.00 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 1.32 0.65 1.01 0.00 0.00 173 D 8.40 4.70 0.00 2.70 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 0.00 174 Q 7.59 4.21 0.00 1.13 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.03 0.00 0.00 0.00 0.00 0.00 1.79 2.14 0.00 175 C 8.88 4.34 0.00 3.18 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 0.00 176 I 7.71 3.32 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 1.64 0.71 0.91 0.00 0.00 177 D 7.52 4.61 0.00 2.53 2.65 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 * Residues marked with a * may have inaccurate shift predictions.