NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3352 8.4449 120.2230 56.8653 30.7828 176.5930 2 T 4.3689 8.2803 113.0820 62.8871 69.9416 172.6862 3 T 3.8535 7.9547 119.3223 63.5922 70.6755 174.2474 4 V 4.5406 8.2947 126.7342 61.9460 33.0740 175.1346 5 T 4.6531 8.7878 124.0840 61.9836 71.4394 173.3565 6 Q 5.5407 8.9124 125.4294 54.7022 31.4180 175.0918 7 S 4.9602 8.2326 113.8512 57.2951 66.1960 173.5955 8 P 4.7167 0.0000 0.0000 62.2235 33.0078 175.4476 9 A 4.8431 8.3141 118.8338 50.8431 19.6804 176.2459 10 S 5.0640 7.3560 108.3582 58.3577 66.2001 175.5630 11 L 4.1395 7.9009 126.0429 55.9973 46.2575 177.8162 *19 V 3.8486 8.4103 116.0070 62.7779 33.0335 172.4739 20 T 5.0949 8.3176 120.5660 60.7209 69.9041 172.7967 21 I 4.7510 8.9953 129.8196 59.9343 40.3460 174.9031 22 R 5.2299 8.6862 122.3293 54.2038 33.8821 174.9640 23 C 5.7131 8.8135 118.7945 57.4396 44.6736 172.5396 24 I 5.7353 8.7110 125.1982 59.2965 38.4963 175.0274 25 T 5.0941 8.3596 115.2163 59.7654 71.2697 174.9867 26 S 4.4446 8.6597 118.2007 61.0865 62.8791 174.3061 27 T 4.8051 7.2702 114.8946 61.3134 71.9176 173.7909 28 D 4.9257 8.6292 123.4268 54.7447 42.2816 174.6871 29 I 4.5699 7.9722 115.0746 60.3939 41.5391 173.6682 30 D 4.5215 8.1778 120.8436 53.8563 42.3065 177.6190 31 D 4.8571 8.3796 123.1306 54.6400 39.4986 175.8400 32 D 4.7082 7.4952 122.1936 55.3618 39.4387 173.8685 33 M 4.4215 7.8616 120.3746 54.7461 33.9974 173.3661 34 N 4.9976 9.3829 125.7650 52.1721 41.3090 174.4196 35 W 5.2584 8.5904 119.0903 55.3288 33.0314 174.2182 36 Y 5.1813 9.3785 122.6023 56.1631 41.0408 174.3146 37 Q 4.4079 8.9001 124.7988 54.2480 31.5865 173.8860 38 Q 4.7739 8.8344 127.6954 54.3357 31.5114 174.5649 39 K 4.8196 8.5352 126.2781 54.3113 34.3727 174.8665 40 P 4.2062 0.0000 0.0000 64.6379 31.3631 176.8399 41 G 3.9645 9.8079 109.8936 45.3907 0.0000 172.2640 42 E 4.6956 7.5803 115.7911 53.5306 32.7479 172.9664 43 P 4.5609 0.0000 0.0000 61.8047 32.4013 174.2175 44 P 4.7241 0.0000 0.0000 62.8583 32.3003 176.0335 45 R 4.7214 9.0177 121.2713 54.1327 32.9021 175.2166 46 L 3.7022 8.6428 126.2018 55.2720 42.3766 175.6163 47 L 4.5301 8.7236 125.7361 55.8274 44.5441 176.6365 48 I 5.0836 7.3404 117.2695 60.0642 41.6868 175.4395 49 S 5.8468 8.1585 121.1952 56.7044 64.6287 173.3593 50 D 4.4080 8.6889 122.6060 55.4363 40.1845 176.4212 51 G 3.7868 8.6278 112.0760 49.6730 0.0000 174.8871 52 N 4.0535 7.5905 112.7418 54.1961 36.0206 175.2673 53 T 4.4935 7.1972 118.2539 61.7062 70.8425 173.6844 54 L 4.4307 8.5319 125.4382 54.9531 42.0510 177.1719 55 R 3.9909 8.7666 125.3190 55.7419 31.0669 174.0773 56 P 4.3584 0.0000 0.0000 64.9200 31.2583 176.0350 57 G 4.1325 9.2060 111.0062 45.0349 0.0000 172.7840 58 V 4.4774 7.1400 117.4152 59.6187 33.8745 173.6889 59 P 4.4173 0.0000 0.0000 63.2765 31.9194 176.7914 60 S 4.3479 8.5678 115.9268 60.7722 63.1037 176.3154 61 R 3.9060 7.7754 117.9268 57.3095 29.8075 176.0940 62 F 4.8644 7.6629 116.6142 54.8785 40.9024 175.1256 63 S 4.5775 7.9133 117.5113 57.2146 66.2273 172.9808 64 S 5.0429 8.3487 116.8939 55.7141 61.6350 173.2390 65 S 4.4598 8.0121 121.1007 57.6661 64.7283 173.2531 66 G 4.2759 9.2431 107.7591 45.3661 0.0000 172.7502 67 Y 4.1510 7.5240 115.4088 57.9372 42.5279 172.0596 68 G 4.4635 7.9343 121.4603 44.1651 0.0000 174.5390 69 T 4.6417 7.8584 107.9896 60.9608 72.9438 174.0324 70 D 5.1267 7.8087 122.1372 52.8555 41.9708 175.6455 71 F 5.1959 8.8691 121.6356 55.6728 42.3858 174.9523 72 V 5.1268 8.9600 119.8972 60.3097 35.7835 174.2836 73 F 4.7701 8.3708 125.7303 56.8503 42.1036 172.8106 74 T 5.4221 7.5014 120.3525 59.3927 69.8370 174.5409 *80 S 4.4421 8.9159 124.0335 58.0612 64.6947 173.7983 81 E 4.6633 8.1466 117.4009 56.2612 29.5865 175.8720 82 D 4.9899 8.0761 115.9603 54.7223 41.5974 176.3985 83 V 4.7540 8.0342 119.8095 62.7765 31.4980 174.5667 84 A 4.4040 8.2525 128.6893 51.8522 22.5952 173.5926 85 D 5.1785 8.3320 118.4318 53.5775 42.2732 175.8284 86 Y 4.8938 8.7063 120.9718 56.4851 40.4733 174.4222 87 Y 5.1038 9.1323 121.1307 56.5138 42.1519 174.1136 88 C 4.4290 8.7452 119.3794 55.4635 41.3708 172.5341 89 L 4.5075 8.0167 123.2902 53.3076 45.0334 174.8606 90 Q 4.4240 8.3778 128.8370 55.6999 29.2736 175.3088 91 S 4.2220 8.1186 121.9018 59.4338 63.1371 175.0677 92 D 4.4843 8.4371 120.0051 54.5158 40.8996 175.9181 93 N 4.9410 7.9009 116.1844 51.1153 43.2141 173.6043 94 L 3.8257 7.7734 120.5801 53.5457 42.3915 175.3706 95 P 4.2887 0.0000 0.0000 61.8333 32.1554 175.8425 96 Y 4.1656 8.1549 120.4839 58.7629 38.3832 175.4625 97 T 4.6650 8.4202 118.4320 60.5556 70.5601 173.6313 98 F 5.3636 8.2996 126.4113 55.4820 42.2392 173.8046 99 G 4.2868 8.5830 107.5644 43.9627 0.0000 173.6673 100 G 3.6789 8.7519 106.7830 45.9214 0.0000 175.4635 101 G 4.0720 7.9228 109.0433 47.1883 0.0000 171.6065 102 T 4.4979 7.1154 108.9110 61.5554 71.1900 173.5313 103 N 5.3436 8.4119 126.9570 52.2683 39.1911 173.7556 104 L 4.9622 8.8649 122.7527 53.3456 45.8585 175.4026 *108 R 4.1981 8.2537 117.8941 55.3356 30.4407 174.6667 109 A 4.2199 8.3020 120.6454 51.9803 18.7867 177.0959 110 D 5.0533 8.9562 122.1970 55.2461 41.6448 176.0699 111 A 4.9739 9.1895 122.9740 50.0147 22.7213 174.9916 112 A 4.7404 8.7558 123.2954 50.6983 19.6514 175.6457 113 P 4.7047 0.0000 0.0000 63.4858 31.9613 177.1714 114 T 4.5453 8.8673 121.9462 62.1972 67.8207 174.1209 115 V 4.7641 7.9461 124.6659 61.4567 33.0658 176.2221 116 S 4.6193 8.6150 117.8715 57.3256 67.2612 172.4284 117 I 4.9011 8.2650 125.0746 59.4216 39.9164 174.5224 118 F 4.5617 9.0623 127.3704 54.9339 42.1004 173.3155 119 P 4.5642 0.0000 0.0000 61.1870 32.2482 174.4182 120 P 4.4977 0.0000 0.0000 62.6637 32.0612 176.7723 121 S 4.5385 8.3556 116.5178 57.4502 64.8055 175.3849 122 S 4.1521 8.6715 118.3550 61.9741 62.2741 177.0087 123 E 3.9617 7.9999 119.9391 59.3543 29.2972 178.6972 124 Q 4.0488 7.8156 119.5664 59.2317 29.1649 178.1465 125 L 4.6335 7.8246 121.2747 57.6747 41.4018 179.6328 126 T 4.0702 7.7381 114.3276 65.5117 68.3698 175.7803 127 S 4.6292 7.9151 114.9263 57.7607 63.7068 175.1667 128 G 3.8755 8.2392 111.3023 45.6174 0.0000 173.5350 129 G 4.3183 7.2006 105.7719 44.8743 0.0000 173.3041 130 A 4.4990 7.8564 119.0503 52.0683 22.3749 175.6367 131 S 4.8874 8.8363 118.3266 56.9811 66.3050 174.0198 132 V 4.3091 8.5604 124.5762 61.2537 33.1346 175.0225 133 V 4.6090 8.2648 127.9525 62.4020 33.8082 174.4548 134 C 5.1405 8.6745 125.0298 55.6006 43.4227 172.4375 135 F 5.3855 9.4901 126.9817 56.5798 40.4584 175.3094 136 L 5.1175 9.3960 124.7842 53.1171 42.9538 175.5904 137 N 4.9099 8.8052 120.7349 51.3937 41.3491 174.3723 138 N 4.8784 8.6262 114.8084 53.5080 36.3328 172.9343 139 F 5.4023 7.8752 116.2171 55.5040 42.7737 174.9714 140 Y 5.4958 9.2058 118.6404 56.3091 42.6015 172.8599 141 P 4.2983 0.0000 0.0000 61.7885 32.7458 175.9050 142 K 4.3701 8.6166 117.7115 59.8619 32.6045 176.0811 143 D 4.2820 7.8997 118.6336 54.9719 40.3934 175.2430 144 I 4.7130 7.9692 123.4271 59.3956 41.3704 173.1464 145 N 5.0715 9.1689 127.5814 51.9351 41.2058 173.3612 146 V 4.7566 8.4934 119.0255 59.5930 34.2764 175.5431 147 K 4.4001 8.9988 123.8902 54.5405 34.8555 175.7531 148 W 4.8943 8.9599 126.6025 55.6497 28.9048 174.9686 149 K 4.6727 9.3554 127.3017 54.5658 33.3610 175.0670 150 I 4.4365 8.2576 120.9942 60.8035 38.9629 174.9660 151 D 3.7448 9.1903 120.6646 56.7231 40.8107 174.3573 *157 N 4.2646 7.7292 119.3247 53.7819 39.9336 173.6740 158 G 3.9400 9.7131 107.3672 44.8369 0.0000 173.1217 159 V 4.8238 7.3080 117.5276 59.6285 34.2707 174.9751 160 L 4.9190 8.4282 120.3457 53.1316 45.5976 175.3141 161 N 5.2537 8.7339 119.2251 50.5027 42.1122 173.9553 162 S 4.5584 7.8258 116.0879 56.6928 65.9594 172.2641 163 W 5.4412 9.1354 127.0091 55.2734 30.9649 175.8112 164 T 4.5874 8.8859 114.7483 60.5454 69.8904 174.5882 165 D 4.6974 8.6612 122.5018 53.9459 41.6069 176.2560 166 Q 3.5600 8.6964 122.3263 55.9685 29.6553 175.9025 167 D 4.3284 8.6020 125.8053 54.6058 41.8464 176.5478 168 S 4.9021 8.3230 122.8180 57.6000 63.6483 173.9552 169 K 4.6465 7.8984 121.3417 58.6198 38.8042 175.6483 170 D 4.7174 8.1166 114.3322 52.1440 39.8286 175.8624 171 S 4.1364 7.9835 113.4927 58.6916 60.7146 171.9570 172 T 4.3263 7.8244 109.4850 60.6309 71.6665 172.4377 173 Y 4.8608 8.1680 119.3215 56.6187 41.8192 174.9094 174 S 4.9858 8.0487 113.0308 58.3003 67.9192 174.7897 175 M 5.8840 9.5622 119.7656 53.7643 35.3594 173.6768 176 S 5.1802 8.3701 113.7342 56.7705 66.4271 172.3477 177 S 4.9262 8.9697 119.7424 57.0212 64.5025 172.8074 178 T 4.6736 8.9513 123.9186 61.5887 71.0703 172.6470 179 L 4.1211 8.2389 130.2240 54.4655 43.0642 175.4882 180 T 4.7911 8.6505 124.3995 62.0135 69.5329 173.9733 181 L 4.8497 8.8804 125.9814 52.7865 46.1237 176.4322 182 T 4.1546 8.2441 116.2999 62.7580 69.5469 176.1974 183 K 3.9296 8.4744 124.3876 60.1132 32.4200 178.6322 184 D 4.5041 8.0487 118.4836 57.3197 40.4188 177.8790 185 E 3.9564 8.3469 119.4038 59.8636 29.6302 178.2388 186 Y 4.7200 8.4132 120.7962 59.9712 38.6763 177.1069 187 E 4.0572 8.1598 118.4880 58.1279 29.8211 177.3996 188 R 4.4382 7.2236 114.3639 55.6491 29.6706 175.7969 189 H 4.8470 7.8214 113.5190 55.1531 32.7382 173.6616 190 N 4.7669 8.1738 123.3313 51.6159 37.6757 175.3495 191 S 4.3865 6.5809 113.4178 60.2024 66.7589 173.9735 192 Y 5.0701 7.8630 122.6982 56.4173 41.3459 175.1184 193 T 5.1288 9.4109 119.2811 62.2765 73.6295 170.8069 194 C 4.5941 8.3380 118.5320 53.3365 37.7563 172.5824 195 E 4.4618 9.1138 126.5832 56.5413 30.8686 175.4748 196 A 4.9157 9.0786 126.5202 50.6135 21.3834 175.7843 197 T 4.3595 9.3571 121.8559 63.2521 69.4725 173.9027 198 H 4.9398 8.4236 125.4163 53.3544 33.3818 171.1353 199 K 3.6817 8.0544 126.9473 55.9369 32.1323 174.8288 *203 S 4.1878 7.7553 113.2274 56.6821 64.3361 172.7537 204 P 4.4825 0.0000 0.0000 62.3921 32.0111 176.0114 205 I 3.7596 8.5055 125.7600 61.7747 37.7982 175.3272 206 V 4.5085 8.1360 127.1558 61.5500 33.7190 175.1526 207 K 4.4727 8.1325 124.1659 56.0577 35.4643 174.5241 208 S 5.3313 8.8413 120.8562 57.4102 66.2157 173.8360 209 F 4.5028 8.3763 114.0295 57.6567 37.2113 173.8115 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 1 E 8.44 4.34 0.00 1.96 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 0.00 2.20 2.27 0.00 2 T 8.28 4.37 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 1.20 0.00 0.00 3 T 7.95 3.85 4.25 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 1.23 0.00 0.00 4 V 8.29 4.54 2.29 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 0.69 0.00 0.00 0.92 0.00 0.00 5 T 8.79 4.65 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 6 Q 8.91 5.54 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 7 S 8.23 4.96 0.00 3.90 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 8 P 0.00 4.72 0.00 2.41 2.17 0.00 3.79 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 2.03 1.99 0.00 9 A 8.31 4.84 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 10 S 7.36 5.06 0.00 3.96 3.82 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 0.00 0.00 0.00 11 L 7.90 4.14 0.00 1.76 0.95 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 *19 V 8.41 3.85 1.92 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 0.87 0.00 0.00 0.86 0.00 0.00 20 T 8.32 5.09 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 1.21 0.00 0.00 21 I 9.00 4.75 2.29 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 1.24 0.00 0.00 22 R 8.69 5.23 0.00 2.05 1.90 0.00 3.22 0.00 0.00 3.33 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 23 C 8.81 5.71 0.00 2.92 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 24 I 8.71 5.74 1.95 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 1.16 0.97 0.00 0.00 25 T 8.36 5.09 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 1.21 0.00 0.00 26 S 8.66 4.44 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.27 4.81 4.25 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 1.22 0.00 0.00 28 D 8.63 4.93 0.00 2.84 2.55 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 29 I 7.97 4.57 1.87 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 1.40 0.61 1.03 0.00 0.00 30 D 8.18 4.52 0.00 2.97 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 31 D 8.38 4.86 0.00 3.05 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 32 D 7.50 4.71 0.00 2.55 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 33 M 7.86 4.42 0.00 1.45 0.92 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 34 N 9.38 5.00 0.00 2.62 2.54 0.00 0.00 6.48 7.55 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 35 W 8.59 5.26 0.00 3.03 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 36 Y 9.38 5.18 0.00 3.03 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 37 Q 8.90 4.41 0.00 1.75 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 1.99 1.49 0.00 38 Q 8.83 4.77 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 39 K 8.54 4.82 0.00 1.92 1.70 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.40 7.81 40 P 0.00 4.21 0.00 2.27 2.11 0.00 3.82 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 2.00 2.00 0.00 41 G 9.81 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 0.00 0.00 0.00 42 E 7.58 4.70 0.00 2.02 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 0.00 2.35 2.24 0.00 43 P 0.00 4.56 0.00 2.08 2.07 0.00 3.76 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 1.98 1.99 0.00 44 P 0.00 4.72 0.00 1.95 2.13 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 45 R 9.02 4.72 0.00 1.78 1.77 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 46 L 8.64 3.70 0.00 1.60 1.51 0.46 0.90 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 47 L 8.72 4.53 0.00 1.66 1.45 0.69 0.53 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 48 I 7.34 5.08 2.12 0.00 0.00 0.96 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.56 4.31 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 1.44 0.00 0.00 0.58 0.00 0.00 133 V 8.26 4.61 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 0.01 0.00 0.00 0.75 0.00 0.00 134 C 8.67 5.14 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 9.49 5.39 0.00 3.17 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 0.00 136 L 9.40 5.12 0.00 1.85 1.79 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.81 4.91 0.00 2.71 2.71 0.00 0.00 7.14 6.80 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 0.00 138 N 8.63 4.88 0.00 2.74 2.87 0.00 0.00 6.73 7.46 0.00 0.00 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 F 7.88 5.40 0.00 3.11 3.26 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 0.00 140 Y 9.21 5.50 0.00 3.15 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 0.00 141 P 0.00 4.30 0.00 2.02 1.48 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 142 K 8.62 4.37 0.00 1.43 0.74 0.00 1.15 0.00 0.00 1.09 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 1.18 7.81 143 D 7.90 4.28 0.00 2.64 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 0.00 144 I 7.97 4.71 1.30 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.28 0.99 0.00 0.00 145 N 9.17 5.07 0.00 2.79 2.62 0.00 0.00 6.92 8.11 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 0.00 146 V 8.49 4.76 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 0.64 0.00 0.00 0.95 0.00 0.00 147 K 9.00 4.40 0.00 1.56 1.70 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.51 7.81 148 W 8.96 4.89 0.00 3.23 3.17 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 0.00 0.00 0.00 149 K 9.36 4.67 0.00 1.80 1.70 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.51 7.81 150 I 8.26 4.44 1.58 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 1.14 0.00 0.00 151 D 9.19 3.74 0.00 2.51 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 N 7.73 4.26 0.00 2.72 2.79 0.00 0.00 7.23 7.98 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 0.00 158 G 9.71 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 0.00 159 V 7.31 4.82 2.04 0.00 0.00 0.00 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 0.00 160 L 8.43 4.92 0.00 1.53 1.52 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 161 N 8.73 5.25 0.00 2.42 1.74 0.00 0.00 6.97 7.57 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 0.00 162 S 7.83 4.56 0.00 3.81 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 0.00 163 W 9.14 5.44 0.00 3.42 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.89 4.59 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 165 D 8.66 4.70 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 0.00 166 Q 8.70 3.56 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.05 1.51 0.00 167 D 8.60 4.33 0.00 2.64 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 0.00 168 S 8.32 4.90 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 7.90 4.65 0.00 1.62 1.91 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.39 7.81 170 D 8.12 4.72 0.00 2.72 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 0.00 171 S 7.98 4.14 0.00 3.71 3.64 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 0.00 172 T 7.82 4.33 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 0.00 173 Y 8.17 4.86 0.00 2.47 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 0.00 174 S 8.05 4.99 0.00 3.53 3.82 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 0.00 0.00 0.00 175 M 9.56 5.88 0.00 1.62 1.27 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 176 S 8.37 5.18 0.00 3.94 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.97 4.93 0.00 3.94 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 0.00 178 T 8.95 4.67 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 1.10 0.00 0.00 179 L 8.24 4.12 0.00 0.27 0.33 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.65 4.79 4.14 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 1.13 0.00 0.00 181 L 8.88 4.85 0.00 1.50 1.57 0.73 0.70 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 0.00 182 T 8.24 4.15 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 0.00 183 K 8.47 3.93 0.00 1.85 1.87 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.54 7.81 184 D 8.05 4.50 0.00 2.75 2.71 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 0.00 185 E 8.35 3.96 0.00 2.12 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 0.00 2.43 2.57 0.00 186 Y 8.41 4.72 0.00 3.08 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 0.00 187 E 8.16 4.06 0.00 2.17 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 2.77 2.45 0.00 188 R 7.22 4.44 0.00 1.57 1.91 0.00 2.87 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.34 0.00 189 H 7.82 4.85 0.00 3.06 2.90 0.00 5.56 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 N 8.17 4.77 0.00 2.66 2.74 0.00 0.00 6.05 7.64 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 0.00 191 S 6.58 4.39 0.00 3.69 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 0.00 192 Y 7.86 5.07 0.00 2.58 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 0.00 193 T 9.41 5.13 4.38 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 1.24 0.00 0.00 194 C 8.34 4.59 0.00 1.77 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 0.00 195 E 9.11 4.46 0.00 1.87 1.85 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 2.28 2.21 0.00 196 A 9.08 4.92 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 0.00 197 T 9.36 4.36 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 1.19 0.00 0.00 198 H 8.42 4.94 0.00 2.88 3.05 0.00 5.97 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 8.05 3.68 0.00 1.57 1.47 0.00 1.89 0.00 0.00 1.79 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.41 7.81 *203 S 7.76 4.19 0.00 4.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 P 0.00 4.48 0.00 2.07 2.09 0.00 3.76 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 1.97 1.98 0.00 205 I 8.51 3.76 1.85 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 1.11 0.79 0.91 0.00 0.00 206 V 8.14 4.51 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 0.74 0.00 0.00 1.04 0.00 0.00 207 K 8.13 4.47 0.00 1.81 1.56 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.41 7.81 208 S 8.84 5.33 0.00 4.10 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 0.00 209 F 8.38 4.50 0.00 3.27 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 * Residues marked with a * may have inaccurate shift predictions.