NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 S 4.4893 8.1933 116.7960 58.7638 65.4466 175.8871 27 I 3.5522 7.7020 120.7259 62.5935 37.0830 175.1247 28 E 4.0229 8.9327 119.3082 59.4380 29.6816 178.2154 29 N 4.5658 7.8393 115.7944 54.6888 38.9872 176.2127 30 L 4.5985 7.4437 118.8988 54.2678 42.1364 177.9087 31 Q 4.0832 7.6842 117.1553 58.2206 28.7423 177.2390 32 G 3.8466 7.8438 105.8748 45.6556 0.0000 173.8028 33 I 3.8192 7.4683 122.0692 60.3606 37.7967 176.0107 34 R 3.7326 8.5858 125.0205 57.7097 30.6190 176.1222 35 A 3.8874 8.5856 127.3414 52.9734 16.3055 175.9582 36 L 4.7471 7.8388 120.6997 56.4781 43.2231 175.7687 37 Q 4.5805 9.1297 126.2413 54.3529 33.0995 173.3300 38 Q 4.4060 8.8049 127.2573 56.2245 29.0002 175.2326 39 Q 4.4084 9.1846 125.9436 57.0839 30.4406 175.0869 40 A 4.5572 7.3624 118.4077 50.6400 21.9621 175.0048 41 P 4.3560 0.0000 0.0000 65.1781 31.5272 177.9382 42 Q 4.7900 8.1257 115.5518 55.1128 29.5423 173.9403 43 L 5.1308 8.1259 120.7579 53.5525 45.0331 175.2323 44 L 5.3358 9.1507 126.9949 53.1624 44.5611 175.7563 45 S 5.8568 9.0608 115.9219 56.1458 66.7629 172.8852 46 S 5.2746 7.6959 114.4261 58.5497 66.2710 173.5375 47 G 4.3669 8.4165 107.7182 45.0269 0.0000 172.6691 48 L 4.3469 8.3801 124.1516 53.4547 42.2475 176.0157 49 P 4.2895 0.0000 0.0000 62.1711 31.7365 176.2394 50 N 4.7581 8.5646 120.1631 51.7048 38.9677 174.9821 51 E 4.2930 8.9226 118.5104 59.5005 29.9669 178.8268 52 Q 4.0796 8.1390 116.8700 59.3821 28.4610 178.2706 53 Q 3.9995 8.3826 119.6353 58.3565 28.7085 178.4787 54 F 4.2353 7.8378 119.1719 60.4600 38.8189 177.7950 55 S 4.2120 8.1273 114.6103 61.4146 62.7227 176.3292 56 L 3.9881 7.7892 121.2653 57.8728 41.3982 179.5418 57 L 4.0134 8.2083 119.0775 57.6557 41.4790 179.5520 58 K 3.9869 8.0775 119.3085 59.7116 31.9664 178.8362 59 Q 3.9834 8.0949 116.9499 58.8595 28.7230 178.2110 60 A 4.2862 7.9021 119.5800 52.8300 18.6124 178.1981 61 G 3.8723 7.9992 105.7711 45.1237 0.0000 173.8532 62 V 3.8012 7.6563 119.5383 62.8150 31.9783 175.5258 63 D 4.7848 8.8638 126.9790 55.5300 42.3480 177.3175 64 V 4.6454 7.6307 117.4577 61.0336 35.2640 174.1875 65 V 4.8571 9.1093 128.0083 61.2769 34.0398 174.0419 66 I 4.7257 9.1700 129.4157 59.7536 39.3634 174.0428 67 N 4.8382 9.0492 127.5277 51.9893 40.6491 174.2842 68 L 5.4460 8.3254 128.7767 52.0142 40.6952 173.3320 *70 P 4.6463 0.0000 0.0000 61.9562 32.9333 177.8445 71 D 4.4374 9.3235 122.9340 57.2505 40.8529 178.1762 72 S 4.2953 8.0891 112.1390 59.8486 63.6924 174.5476 73 S 4.2147 8.1155 117.6458 58.1150 62.5269 175.1728 74 K 4.0334 8.6521 125.6993 59.5541 32.3998 177.2993 75 D 4.5554 7.8932 116.6937 54.2381 41.4409 176.4609 76 A 4.2302 7.4828 122.8113 51.7043 19.5011 177.3554 77 H 4.3999 8.4859 117.7289 55.2051 29.4758 175.3354 78 P 4.1786 0.0000 0.0000 65.5991 31.7644 177.0291 79 D 4.6158 7.3847 115.0313 51.6977 42.1585 174.7682 80 E 3.7124 8.1435 124.0648 58.7107 30.0138 177.8660 81 G 2.4229 7.1775 105.2351 47.0912 0.0000 175.3470 82 K 3.7907 7.8966 121.8240 59.1763 32.0795 178.9194 83 L 3.7815 7.1605 119.3397 57.6204 41.2439 179.7502 84 V 3.3095 7.0561 117.3825 66.1142 31.7360 177.9430 85 T 4.0370 8.0092 109.9786 64.8354 68.5174 176.5819 86 Q 4.0047 8.1575 119.6142 57.8008 28.8262 177.4269 87 A 4.2778 7.4464 119.9840 52.1009 19.8200 176.9485 88 G 3.6007 7.8278 105.0233 45.6103 0.0000 173.4665 *90 D 4.5294 7.4655 117.0901 54.2556 43.2965 175.6763 91 Y 5.3012 8.6432 122.4546 55.8508 41.3350 174.7711 92 V 4.2462 8.3937 125.8981 61.0480 34.8990 173.2125 93 Y 4.9210 8.4510 128.5995 56.0833 40.6740 175.4299 94 I 4.4485 8.4929 128.2247 58.1357 38.3611 171.4669 95 P 4.5904 0.0000 0.0000 62.5063 32.1293 176.2330 96 V 4.3616 8.4634 124.7353 60.7971 33.6993 174.4967 97 D 4.6173 8.7177 128.0771 53.3604 41.6005 176.4021 98 W 4.5997 9.1686 135.0000 60.7525 30.8391 176.6127 99 Q 4.2290 8.3954 114.9257 57.2289 29.0215 176.0077 100 N 4.8459 7.7122 116.1588 51.8612 39.8489 172.2568 101 P 4.3464 0.0000 0.0000 62.3642 32.9981 176.5393 102 K 4.5447 8.4623 118.8093 53.8611 35.6215 177.7238 103 V 3.4816 8.2984 121.1463 66.1296 31.2812 178.3294 104 E 3.9802 8.0541 116.8882 59.2950 29.4042 178.8407 105 D 4.3396 7.8960 119.9375 57.2185 40.8413 178.7900 106 V 2.7298 7.3540 118.1836 65.7991 31.4178 177.8207 107 E 3.5472 8.2789 118.4136 58.9513 29.1821 179.1678 108 A 3.9876 8.1535 121.2296 54.9483 18.1931 179.4551 109 F 4.2759 8.0836 118.2473 61.6160 39.6562 176.9659 110 F 4.3657 8.1778 116.2112 60.6256 38.9232 177.2243 111 A 4.2115 8.3915 120.2566 54.8517 18.2354 180.3409 112 A 4.2881 8.0146 118.0032 52.6998 18.1998 179.1640 *114 D 4.6251 8.1011 122.6926 56.1442 42.7895 177.1878 115 Q 4.2052 8.0979 115.9822 57.6836 29.1206 175.7761 116 H 4.9628 7.6672 114.9752 54.9222 29.9259 173.6896 117 K 4.1584 8.1233 118.3023 57.8975 32.4305 178.1077 118 G 3.9603 8.8862 110.3976 45.4786 0.0000 173.4662 119 K 4.5690 7.5286 118.5595 54.9237 33.8950 175.7332 120 D 4.8301 9.2085 122.0721 54.0310 41.9362 175.7090 121 V 4.8752 8.8604 123.9731 60.8862 34.9026 173.7460 122 L 5.3016 8.9572 129.5329 53.2788 44.5458 175.0343 123 V 5.0909 8.8488 126.6735 60.3681 33.7587 174.5990 124 H 5.5869 9.2510 119.6604 53.5933 32.4453 171.8374 125 C 4.5271 8.6687 117.3001 58.0480 32.4489 175.4390 126 L 4.2068 8.8773 115.5319 56.7824 42.0943 177.9203 127 A 4.6471 7.2453 117.4359 51.8518 20.1415 175.5000 128 N 4.3320 8.4744 114.6658 56.4280 37.4765 175.6705 129 Y 3.6113 7.5913 114.7781 60.6948 37.9625 177.6320 130 R 3.8521 7.9524 117.9369 59.4696 30.2350 178.9661 131 A 3.8530 7.8882 120.0698 55.1223 18.4188 179.6994 132 S 4.1993 8.1696 112.2208 61.4464 63.1358 176.6121 133 A 4.0816 8.4244 124.4883 55.1118 18.2055 179.6821 134 F 4.2817 8.8407 116.2753 60.5862 38.8728 177.7383 135 A 4.3630 8.6095 120.9129 55.3932 18.1441 178.7995 136 Y 4.0720 8.4256 118.0982 61.1834 38.8043 178.6581 137 L 3.9389 8.3076 119.6759 57.8622 41.6583 178.9762 138 Y 3.6062 8.6074 119.6548 60.7229 38.7489 177.9879 139 Q 3.6881 8.4246 119.1570 58.4421 28.7645 178.3941 140 L 3.6886 7.7100 121.6571 58.0241 41.9114 178.9616 141 K 3.8579 7.6240 118.2310 59.3481 32.0463 177.8488 142 Q 4.0064 7.3722 115.5423 55.3743 28.6257 176.3482 143 G 3.8091 7.5507 107.9432 46.6928 0.0000 174.6858 144 Q 4.0887 8.0999 116.8438 54.9293 29.4551 175.2521 145 N 4.1046 7.9878 115.8324 53.8315 37.1447 172.1628 146 P 4.4178 0.0000 0.0000 62.8975 32.8790 176.4229 147 N 4.6625 8.4205 118.1766 52.5782 41.1776 174.5724 *149 A 4.4152 8.4067 118.9896 52.5636 20.3870 178.3598 150 Q 4.1975 8.5926 113.9701 59.4071 28.8506 177.6320 151 T 4.4330 7.8028 113.1260 64.4876 68.5007 175.8960 *153 T 4.4413 8.0412 120.1891 63.2578 70.3876 174.7777 154 P 3.9674 0.0000 0.0000 64.9075 31.2435 177.3401 155 W 4.4961 7.9597 115.7792 58.1341 29.9593 176.7042 156 N 4.6085 7.8556 120.2646 53.9976 35.7667 176.0648 *159 L 4.2426 7.5366 115.6492 53.5224 43.7285 178.6975 160 A 4.3471 7.7749 120.0262 52.3206 19.6283 176.3238 161 I 4.3241 7.6957 119.7976 60.1004 38.9169 176.6105 162 Y 4.7826 8.1980 122.4505 55.0373 38.7943 174.4853 163 P 4.3073 0.0000 0.0000 65.5623 31.6913 178.3650 164 K 3.9646 8.0397 116.6917 59.0670 31.9051 179.4110 165 W 3.8667 8.1176 118.9831 59.5836 29.1346 178.2572 166 Q 3.9734 8.6665 119.6817 59.0403 28.4261 178.1227 167 A 3.9825 8.1634 121.9444 54.9027 18.3238 179.3553 168 L 3.7724 7.9551 118.9090 58.3525 42.1805 179.2577 169 L 4.0480 8.2192 119.1829 57.9990 41.5090 179.7422 170 T 3.8855 7.9950 115.7376 66.5090 68.4301 176.3898 171 E 3.8943 8.3212 121.3180 59.3968 29.7022 179.0704 172 V 3.7525 8.0873 118.5480 66.1857 31.5634 178.1449 173 S 4.2302 8.4306 114.7748 61.4384 62.3857 176.5706 174 A 3.9518 7.8496 122.8941 54.9510 18.2048 179.3639 175 K 3.8440 7.8580 117.0076 59.2403 32.4400 177.8875 176 Y 4.6862 7.9296 113.8223 56.8809 39.1102 176.2539 177 G 3.8135 7.7895 110.3898 45.5502 0.0000 173.5938 178 H 4.4094 8.5236 120.3832 56.0874 29.8784 173.2050 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 26 S 8.19 4.49 0.00 3.91 3.98 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 27 I 7.70 3.55 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.12 0.91 0.00 0.00 28 E 8.93 4.02 0.00 2.19 2.21 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 2.36 2.40 0.00 29 N 7.84 4.57 0.00 2.79 2.91 0.00 0.00 6.91 9.18 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 30 L 7.44 4.60 0.00 1.69 1.64 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.68 4.08 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 32 G 7.84 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 33 I 7.47 3.82 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.83 0.00 0.00 34 R 8.59 3.73 0.00 1.78 1.76 0.00 3.28 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 35 A 8.59 3.89 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 36 L 7.84 4.75 0.00 1.76 1.56 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.13 4.58 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 38 Q 8.80 4.41 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 39 Q 9.18 4.41 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 40 A 7.36 4.56 1.30 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 0.00 0.00 0.00 41 P 0.00 4.36 0.00 2.08 2.15 0.00 3.67 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 2.05 2.13 0.00 42 Q 8.13 4.79 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 43 L 8.13 5.13 0.00 1.79 1.56 1.01 0.83 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 44 L 9.15 5.34 0.00 1.65 1.57 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.06 5.86 0.00 3.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.70 5.27 0.00 4.03 3.98 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 47 G 8.42 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 0.00 0.00 0.00 48 L 8.38 4.35 0.00 1.73 1.57 1.05 0.85 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 49 P 0.00 4.29 0.00 0.52 1.33 0.00 3.44 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 50 N 8.56 4.76 0.00 2.81 2.81 0.00 0.00 6.88 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.92 4.29 0.00 2.07 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 0.00 2.42 2.37 0.00 52 Q 8.14 4.08 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 53 Q 8.38 4.00 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 54 F 7.84 4.24 0.00 3.22 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 55 S 8.13 4.21 0.00 4.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.79 3.99 0.00 1.83 1.81 0.96 0.74 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 57 L 8.21 4.01 0.00 1.95 1.79 0.91 1.02 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 58 K 8.08 3.99 0.00 1.95 2.01 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.55 7.81 59 Q 8.09 3.98 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 60 A 7.90 4.29 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 61 G 8.00 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 0.00 0.00 0.00 62 V 7.66 3.80 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 0.89 0.00 0.00 0.97 0.00 0.00 63 D 8.86 4.78 0.00 2.75 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 64 V 7.63 4.65 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 0.93 0.00 0.00 0.92 0.00 0.00 65 V 9.11 4.86 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 1.37 0.00 0.00 1.14 0.00 0.00 66 I 9.17 4.73 2.02 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 1.11 0.63 1.06 0.00 0.00 67 N 9.05 4.84 0.00 3.20 2.83 0.00 0.00 6.72 6.25 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 68 L 8.33 5.45 0.00 1.46 1.35 0.20 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *70 P 0.00 4.65 0.00 2.29 2.10 0.00 3.68 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 71 D 9.32 4.44 0.00 2.70 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 72 S 8.09 4.30 0.00 4.02 4.05 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 73 S 8.12 4.21 0.00 3.90 3.90 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 74 K 8.65 4.03 0.00 1.89 1.93 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 75 D 7.89 4.56 0.00 2.65 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 76 A 7.48 4.23 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 77 H 8.49 4.40 0.00 3.22 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.18 0.00 2.01 2.10 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 79 D 7.38 4.62 0.00 2.60 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 80 E 8.14 3.71 0.00 2.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 81 G 7.18 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 0.00 0.00 0.00 82 K 7.90 3.79 0.00 1.84 1.82 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.39 7.81 83 L 7.16 3.78 0.00 1.09 1.42 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.06 3.31 1.74 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 0.94 0.00 0.00 0.38 0.00 0.00 85 T 8.01 4.04 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 1.24 0.00 0.00 86 Q 8.16 4.00 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 87 A 7.45 4.28 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.83 3.60 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 0.00 *90 D 7.47 4.53 0.00 2.67 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 91 Y 8.64 5.30 0.00 2.81 2.82 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 92 V 8.39 4.25 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 0.94 0.00 0.00 0.85 0.00 0.00 93 Y 8.45 4.92 0.00 2.56 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 94 I 8.49 4.45 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.96 0.00 0.00 95 P 0.00 4.59 0.00 1.96 1.75 0.00 3.24 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.00 96 V 8.46 4.36 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 1.00 0.00 0.00 0.85 0.00 0.00 97 D 8.72 4.62 0.00 2.76 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 98 W 9.17 4.60 0.00 3.46 3.22 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 0.00 99 Q 8.40 4.23 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.03 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 100 N 7.71 4.85 0.00 2.60 2.77 0.00 0.00 7.17 7.09 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 0.00 101 P 0.00 4.35 0.00 1.27 1.07 0.00 3.31 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.00 102 K 8.46 4.54 0.00 1.83 1.61 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.42 7.81 103 V 8.30 3.48 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 1.13 0.00 0.00 0.91 0.00 0.00 104 E 8.05 3.98 0.00 2.20 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 2.32 2.37 0.00 105 D 7.90 4.34 0.00 2.99 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 0.00 106 V 7.35 2.73 1.71 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 0.19 0.00 0.00 0.14 0.00 0.00 107 E 8.28 3.55 0.00 1.94 1.96 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 2.33 2.12 0.00 108 A 8.15 3.99 1.41 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 0.00 109 F 8.08 4.28 0.00 3.25 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.18 4.37 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.39 4.21 1.41 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 0.00 112 A 8.01 4.29 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 *114 D 8.10 4.63 0.00 2.86 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 0.00 115 Q 8.10 4.21 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.43 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 116 H 7.67 4.96 0.00 3.23 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.12 4.16 0.00 2.00 1.75 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.01 7.81 118 G 8.89 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 0.00 119 K 7.53 4.57 0.00 1.92 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.60 7.81 120 D 9.21 4.83 0.00 2.93 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 0.00 121 V 8.86 4.88 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 1.06 0.00 0.00 0.91 0.00 0.00 122 L 8.96 5.30 0.00 1.84 1.59 1.01 1.19 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 0.00 123 V 8.85 5.09 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 0.87 0.00 0.00 0.77 0.00 0.00 124 H 9.25 5.59 0.00 3.54 3.45 0.00 5.42 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.67 4.53 0.00 2.93 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.88 4.21 0.00 1.68 1.56 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.25 4.65 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 0.00 128 N 8.47 4.33 0.00 3.07 2.78 0.00 0.00 7.12 7.56 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 0.00 129 Y 7.59 3.61 0.00 2.43 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 0.00 0.00 0.00 0.00 130 R 7.95 3.85 0.00 1.79 1.79 0.00 3.23 0.00 0.00 3.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 131 A 7.89 3.85 1.37 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 0.00 0.00 132 S 8.17 4.20 0.00 4.42 4.39 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 0.00 0.00 0.00 0.00 133 A 8.42 4.08 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 0.00 0.00 0.00 0.00 0.00 134 F 8.84 4.28 0.00 2.74 2.34 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 0.00 135 A 8.61 4.36 1.56 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 0.00 0.00 136 Y 8.43 4.07 0.00 3.18 3.30 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 0.00 137 L 8.31 3.94 0.00 2.08 1.94 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.61 3.61 0.00 3.38 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 0.00 139 Q 8.42 3.69 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 140 L 7.71 3.69 0.00 1.18 1.55 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.62 3.86 0.00 1.22 1.06 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 0.82 7.81 142 Q 7.37 4.01 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 143 G 7.55 3.81 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 0.00 0.00 0.00 144 Q 8.10 4.09 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 145 N 7.99 4.10 0.00 2.77 2.81 0.00 0.00 7.09 7.69 0.00 0.00 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 P 0.00 4.42 0.00 2.37 2.21 0.00 3.68 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 147 N 8.42 4.66 0.00 2.79 2.92 0.00 0.00 6.89 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 A 8.41 4.42 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 0.00 150 Q 8.59 4.20 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.60 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 151 T 7.80 4.43 4.44 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 1.57 0.00 0.00 *153 T 8.04 4.44 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 1.18 0.00 0.00 154 P 0.00 3.97 0.00 0.68 1.13 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 155 W 7.96 4.50 0.00 3.16 3.29 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 0.00 156 N 7.86 4.61 0.00 2.85 2.84 0.00 0.00 6.80 7.85 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 *159 L 7.54 4.24 0.00 1.69 1.62 0.92 0.84 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 0.00 160 A 7.77 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.70 4.32 1.83 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 1.40 0.62 0.94 0.00 0.00 162 Y 8.20 4.78 0.00 3.32 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 0.00 163 P 0.00 4.31 0.00 2.19 2.13 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 164 K 8.04 3.96 0.00 1.60 1.58 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 165 W 8.12 3.87 0.00 3.68 3.28 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 0.00 166 Q 8.67 3.97 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 167 A 8.16 3.98 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 0.00 168 L 7.96 3.77 0.00 1.58 1.63 0.73 0.11 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 0.00 169 L 8.22 4.05 0.00 1.72 1.72 0.73 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.99 3.89 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 1.21 0.00 0.00 171 E 8.32 3.89 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 172 V 8.09 3.75 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 1.18 0.00 0.00 0.93 0.00 0.00 173 S 8.43 4.23 0.00 4.17 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 A 7.85 3.95 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 0.00 175 K 7.86 3.84 0.00 1.62 1.73 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.68 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.05 7.81 176 Y 7.93 4.69 0.00 3.16 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 0.00 177 G 7.79 3.81 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 0.00 0.00 0.00 178 H 8.52 4.41 0.00 3.08 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.91 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.