NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.6868 8.3249 119.4245 57.1536 40.4986 174.9036 3 D 4.4936 8.7456 123.2947 55.2209 41.8478 174.8924 4 T 5.0880 8.1521 107.5545 60.0346 72.1733 173.6221 5 K 4.6334 8.7981 121.8117 54.7031 36.1052 174.5903 6 I 4.9460 8.2742 126.4444 59.6870 39.3661 174.3364 7 A 5.1399 8.9682 128.4896 49.9987 22.2952 174.5877 8 V 4.5725 8.8894 121.5356 61.0349 34.6156 174.3327 9 I 4.7728 8.3720 127.7371 59.6102 40.1334 174.4264 10 L 5.1681 8.3739 126.4856 52.6526 45.0109 175.6570 11 R 4.5274 8.7191 123.0820 56.1768 30.4379 177.2527 12 D 4.3575 8.9838 126.8880 56.8913 41.4122 176.4423 13 D 4.5976 7.9029 116.0825 53.5712 39.9645 176.5111 14 L 4.0040 7.3391 120.4477 54.3551 42.3791 177.4508 15 A 4.0898 8.3504 123.8940 51.9814 20.2714 179.3235 16 V 3.5148 8.2431 120.6820 65.8208 31.6044 178.4649 17 W 4.3418 8.2360 116.0362 59.8303 27.7628 178.1848 18 Q 3.1129 6.6964 118.1553 58.2343 28.0738 178.5212 19 K 3.8614 7.8164 119.4829 59.3157 32.0441 179.4777 20 L 3.9459 7.9286 119.1568 57.7239 41.6125 178.6516 21 N 4.4372 8.4429 117.3206 57.1308 38.8680 176.8702 22 V 3.1334 8.0007 119.6007 66.1689 31.2754 178.1085 23 T 3.8589 7.8314 114.2487 66.4053 68.3443 176.1949 24 A 4.0885 7.9036 121.5551 55.2540 18.6171 179.4371 25 F 4.2258 8.2830 116.2111 60.5470 39.1302 178.6894 26 L 4.0672 8.3683 116.7011 55.5639 41.6214 179.2071 *28 S 4.3776 8.1517 116.2165 58.3436 65.1252 176.1912 29 G 3.6742 7.8136 109.1835 46.9714 0.0000 175.7491 30 I 3.7115 7.6609 121.9375 64.1657 36.9020 178.7596 31 V 3.5476 7.6701 117.1579 65.8497 31.5502 177.2527 32 A 4.1225 7.8074 119.4763 55.4155 18.2649 179.1357 33 Q 4.2201 8.0655 116.8968 58.2855 30.6699 176.5423 34 T 4.7110 7.8995 116.4967 61.1634 69.6584 174.4212 35 G 3.7355 8.2320 114.3929 47.9879 0.0000 173.0845 36 E 4.1353 8.1587 118.5696 58.6526 29.7765 178.0157 37 I 3.9285 7.7110 112.0995 62.6193 38.0649 175.9225 38 I 4.4059 7.5462 123.2020 61.0184 37.9944 176.0486 39 G 4.1405 8.4992 118.8577 45.4398 0.0000 173.0341 40 E 4.3857 8.5212 121.9291 55.2691 30.6023 175.3900 41 P 4.6399 0.0000 0.0000 62.9349 32.4972 175.7934 42 Y 4.3049 8.6446 119.2677 57.9582 39.3581 174.9472 43 R 5.2497 8.5129 121.7041 54.7429 33.9682 175.2009 44 D 4.8063 9.3527 124.9526 52.0515 41.5220 176.9861 45 G 3.8157 8.6690 106.1949 46.9531 0.0000 173.8468 46 A 4.5246 8.9025 121.9089 51.6152 19.6473 177.4136 47 G 3.9890 8.2836 104.5273 45.1164 0.0000 173.9469 48 N 4.4827 8.1445 117.4362 53.0780 39.7929 174.0647 49 V 4.8522 7.9164 121.7346 61.4476 34.1049 173.8735 50 Y 4.9271 9.3218 123.2484 55.6681 42.6927 174.3798 51 N 4.6834 8.9981 117.8630 53.3112 39.1242 173.6569 52 P 4.9124 0.0000 0.0000 63.0050 32.8392 174.8374 53 L 4.9152 8.4488 119.7607 52.2967 46.2699 175.3909 54 S 4.6422 8.6724 114.7716 59.2083 62.0849 174.3249 55 I 4.1030 9.1468 120.1838 61.8575 38.1858 175.4263 56 Q 4.0019 7.4285 122.8148 53.1737 30.1993 173.4335 57 P 4.3730 0.0000 0.0000 62.8709 31.9999 175.7952 58 I 4.6183 7.9248 120.2375 59.6807 40.2105 175.0116 59 V 4.0744 8.7275 128.4919 61.9133 32.8458 175.2388 60 V 4.9879 8.5231 126.6110 60.4136 34.6595 174.0097 *62 A 4.6086 8.2282 124.8661 52.6966 20.4316 175.4529 63 T 4.5887 8.2260 113.4642 61.4184 71.7675 172.4575 64 D 4.9394 8.4843 122.4176 52.2264 40.9731 176.9141 65 Q 3.9353 8.7875 119.8840 59.9118 28.7058 178.7582 66 E 4.0336 8.2254 118.3417 59.0853 29.6607 179.0491 67 A 4.0346 8.3445 121.2198 54.9077 18.3346 179.4316 68 L 3.9688 8.3453 119.4103 57.9087 42.0951 179.0813 69 R 3.9196 8.1187 119.1957 59.3259 29.9733 178.6589 70 K 4.3348 7.7742 119.6674 59.4489 32.5460 179.0348 71 I 3.8720 7.6335 120.5419 64.4212 36.9989 177.4702 72 H 4.1777 8.3797 118.9996 59.7383 29.4561 176.9610 73 Q 3.9417 8.4792 119.8441 59.2259 28.5616 179.3973 74 R 3.9630 8.7983 120.0022 59.2180 30.0244 179.2922 75 S 4.1808 8.2706 114.1426 61.4051 63.0116 176.6515 76 L 3.9954 7.8320 122.3121 57.5979 41.1669 179.1711 77 E 4.0529 7.9964 117.5136 59.1805 29.3891 178.6198 78 R 4.3934 7.7558 115.6512 55.1794 30.3495 175.9178 79 D 4.4429 7.8061 116.8847 55.3334 39.0591 173.5280 80 I 4.2758 7.7751 118.9780 60.2941 38.4071 175.7309 81 T 4.4073 8.4190 122.0470 62.6162 69.2095 174.1677 82 T 4.7671 8.2222 116.0150 59.7244 72.0671 173.7647 83 S 4.5703 8.6104 118.4749 58.2294 64.3286 173.3395 84 L 5.0634 8.1850 124.1758 53.8022 45.5099 174.5500 85 Y 4.6459 8.9380 125.9462 55.9742 41.4092 174.0246 86 I 4.7773 8.2104 119.5861 58.9179 40.4218 176.1195 87 E 4.0900 8.8412 124.7607 59.6763 30.1665 178.8824 88 E 4.2691 7.2562 116.3520 56.2458 27.7322 178.1604 *90 F 5.0310 7.7789 115.9504 57.2973 41.3816 176.8516 91 A 4.3395 8.1382 122.9261 53.8948 18.6324 177.1731 92 T 4.7596 7.6748 103.9450 60.2838 71.9221 173.5560 93 G 4.0457 8.4837 108.9544 45.5947 0.0000 173.0961 94 H 4.9322 7.8117 117.5756 53.2280 31.1003 174.1835 95 D 4.2554 8.8335 125.1344 57.5551 41.1189 178.1415 96 A 3.9597 8.0734 120.2337 55.2856 18.2826 179.3448 97 A 3.9610 7.9143 118.5913 55.4236 18.4890 179.5185 98 N 4.2350 8.4581 115.3772 56.4224 38.3541 177.9393 99 R 3.8599 8.1231 119.1326 59.0201 30.2819 178.6205 100 Q 4.0953 8.1622 119.6331 59.2620 29.0888 178.8030 101 V 3.4465 7.9873 120.3472 64.6848 31.2696 177.6886 102 F 4.0930 8.6297 121.9585 61.2430 38.9551 176.8293 103 S 4.3956 7.7642 110.9236 60.2299 63.1010 175.0093 104 H 4.4706 8.0554 119.1034 55.8051 28.9604 174.6020 105 F 4.8487 7.1701 119.0811 55.3595 42.5651 173.8969 106 S 4.8251 8.2434 115.6245 55.4816 65.8193 173.3878 107 P 4.2455 0.0000 0.0000 65.6025 31.0246 177.8204 108 D 4.5481 8.0760 116.1726 54.9871 39.7172 176.6720 109 T 4.5126 7.0558 104.5212 61.1414 70.4139 174.4288 110 A 3.9489 8.1046 125.4068 52.3401 19.0631 177.8132 111 K 4.4079 7.5935 120.5736 54.4166 31.5924 174.5673 112 V 4.0385 7.8754 122.3022 63.1511 32.0281 175.6218 113 V 4.2316 8.8712 120.4376 61.8379 33.9841 175.2637 114 G 4.5448 7.6303 105.7504 45.0479 0.0000 171.9183 *116 A 4.8361 8.2384 120.3404 51.8897 20.2598 175.8667 117 L 4.9910 8.7102 118.9800 54.3252 44.6763 174.9662 118 R 5.3528 8.6600 119.2929 53.7562 32.6057 173.8952 119 A 4.6584 8.5365 126.1913 50.4214 23.4211 174.3857 120 D 4.7855 8.8695 118.1266 55.3743 41.4276 178.4394 121 R 3.9071 9.2516 121.3305 59.8787 29.1160 179.3435 122 K 4.0262 8.0222 118.5444 58.9060 32.0790 179.2567 123 I 3.6840 7.7041 119.6828 64.3530 37.0790 178.2548 124 V 3.5943 7.7158 118.9925 66.3513 31.0898 177.7812 125 D 4.3685 7.7244 116.7297 57.2881 40.8267 178.6847 126 K 4.1457 7.9359 118.7661 59.4362 31.8252 179.5228 127 I 3.8610 7.7420 119.3535 64.3203 37.4613 177.7736 128 T 4.3212 7.9745 108.4567 60.4249 68.9471 174.2555 129 K 3.9155 6.9648 122.0061 58.5183 32.6654 174.8210 130 G 4.2110 9.2121 115.2932 46.2338 0.0000 174.3673 131 A 4.0962 7.5344 121.2415 51.8263 18.9519 176.1978 132 K 4.6091 8.1445 122.0920 54.2191 33.8951 176.2723 133 L 4.2413 8.6070 126.6246 55.6744 42.2594 176.4167 134 H 4.4023 8.8431 122.8255 55.6550 30.7871 175.1280 135 A 4.2123 8.3513 126.4194 52.5535 18.3901 177.2762 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 F 8.32 4.69 0.00 3.18 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.75 4.49 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.15 5.09 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 1.27 0.00 0.00 5 K 8.80 4.63 0.00 1.82 1.62 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.38 7.81 6 I 8.27 4.95 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.87 0.00 0.00 7 A 8.97 5.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.89 4.57 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 0.96 0.00 0.00 0.92 0.00 0.00 9 I 8.37 4.77 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 1.35 0.77 0.91 0.00 0.00 10 L 8.37 5.17 0.00 1.58 1.51 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.72 4.53 0.00 1.86 1.78 0.00 3.08 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 12 D 8.98 4.36 0.00 2.62 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 13 D 7.90 4.60 0.00 2.79 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 14 L 7.34 4.00 0.00 1.49 1.41 0.92 1.09 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 15 A 8.35 4.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.24 3.51 2.13 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 1.10 0.00 0.00 0.94 0.00 0.00 17 W 8.24 4.34 0.00 3.64 3.32 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 18 Q 6.70 3.11 0.00 1.61 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 19 K 7.82 3.86 0.00 1.90 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.57 7.81 20 L 7.93 3.95 0.00 1.94 1.75 0.97 0.47 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 21 N 8.44 4.44 0.00 3.14 3.13 0.00 0.00 6.92 8.33 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 22 V 8.00 3.13 1.89 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 0.73 0.00 0.00 0.01 0.00 0.00 23 T 7.83 3.86 4.36 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 1.19 0.00 0.00 24 A 7.90 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.28 4.23 0.00 3.36 3.25 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 26 L 8.37 4.07 0.00 1.82 1.72 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *28 S 8.15 4.38 0.00 3.98 4.07 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 0.00 0.00 0.00 0.00 29 G 7.81 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 30 I 7.66 3.71 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 1.61 1.09 0.88 0.00 0.00 31 V 7.67 3.55 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 0.84 0.00 0.00 0.91 0.00 0.00 32 A 7.81 4.12 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 33 Q 8.07 4.22 0.00 2.16 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 34 T 7.90 4.71 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 1.30 0.00 0.00 35 G 8.23 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 36 E 8.16 4.14 0.00 1.98 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 0.00 2.34 2.39 0.00 37 I 7.71 3.93 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.93 0.00 0.00 38 I 7.55 4.41 1.99 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 1.36 0.82 0.95 0.00 0.00 39 G 8.50 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 0.00 0.00 0.00 0.00 40 E 8.52 4.39 0.00 1.83 1.86 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 2.31 2.27 0.00 41 P 0.00 4.64 0.00 1.99 2.19 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 42 Y 8.64 4.30 0.00 3.02 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 43 R 8.51 5.25 0.00 1.67 1.85 0.00 3.20 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 44 D 9.35 4.81 0.00 2.98 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 45 G 8.67 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 0.00 0.00 0.00 46 A 8.90 4.52 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.28 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 0.00 0.00 0.00 48 N 8.14 4.48 0.00 3.13 2.45 0.00 0.00 6.52 7.68 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 49 V 7.92 4.85 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 0.83 0.00 0.00 0.90 0.00 0.00 50 Y 9.32 4.93 0.00 2.92 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 51 N 9.00 4.68 0.00 2.63 2.79 0.00 0.00 6.94 8.02 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 52 P 0.00 4.91 0.00 2.24 2.22 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 2.03 2.04 0.00 53 L 8.45 4.92 0.00 1.64 1.56 0.40 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.67 4.64 0.00 3.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.15 4.10 2.06 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 1.00 0.00 0.00 56 Q 7.43 4.00 0.00 1.21 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 57 P 0.00 4.37 0.00 2.06 1.97 0.00 3.50 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 2.08 2.15 0.00 58 I 7.92 4.62 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.88 0.00 0.00 59 V 8.73 4.07 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 0.98 0.00 0.00 0.93 0.00 0.00 60 V 8.52 4.99 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 1.11 0.00 0.00 0.90 0.00 0.00 *62 A 8.23 4.61 1.24 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 0.00 0.00 0.00 63 T 8.23 4.59 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 1.21 0.00 0.00 64 D 8.48 4.94 0.00 2.86 2.77 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 65 Q 8.79 3.94 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 66 E 8.23 4.03 0.00 2.02 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 2.40 2.32 0.00 67 A 8.34 4.03 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 68 L 8.35 3.97 0.00 1.90 1.85 0.93 0.92 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 69 R 8.12 3.92 0.00 1.94 2.10 0.00 3.15 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 70 K 7.77 4.33 0.00 1.99 2.06 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.52 7.81 71 I 7.63 3.87 2.04 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 1.65 0.96 0.93 0.00 0.00 72 H 8.38 4.18 0.00 3.26 3.55 0.00 5.62 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 73 Q 8.48 3.94 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 74 R 8.80 3.96 0.00 1.97 1.99 0.00 3.40 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 75 S 8.27 4.18 0.00 4.09 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 0.00 76 L 7.83 4.00 0.00 1.82 1.76 0.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.00 4.05 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 78 R 7.76 4.39 0.00 1.93 1.95 0.00 3.49 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 79 D 7.81 4.44 0.00 2.83 2.75 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 80 I 7.78 4.28 1.98 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 1.52 0.80 0.93 0.00 0.00 81 T 8.42 4.41 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 82 T 8.22 4.77 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 1.24 0.00 0.00 83 S 8.61 4.57 0.00 3.84 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 84 L 8.18 5.06 0.00 1.64 1.62 0.84 0.83 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 85 Y 8.94 4.65 0.00 2.99 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 86 I 8.21 4.78 1.64 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.82 0.00 0.00 87 E 8.84 4.09 0.00 2.05 1.99 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 2.45 2.47 0.00 88 E 7.26 4.27 0.00 2.08 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 2.47 2.37 0.00 *90 F 7.78 5.03 0.00 3.32 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 91 A 8.14 4.34 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 92 T 7.67 4.76 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 93 G 8.48 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 0.00 0.00 0.00 94 H 7.81 4.93 0.00 3.20 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.83 4.26 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.07 3.96 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 97 A 7.91 3.96 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 98 N 8.46 4.24 0.00 2.57 2.63 0.00 0.00 7.06 8.06 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 99 R 8.12 3.86 0.00 1.78 1.97 0.00 3.11 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 100 Q 8.16 4.10 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 101 V 7.99 3.45 2.11 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 0.75 0.00 0.00 1.12 0.00 0.00 102 F 8.63 4.09 0.00 3.21 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 0.00 103 S 7.76 4.40 0.00 4.08 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 0.00 104 H 8.06 4.47 0.00 2.99 2.81 0.00 5.61 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.17 4.85 0.00 2.75 2.83 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 0.00 106 S 8.24 4.83 0.00 3.96 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 0.00 107 P 0.00 4.25 0.00 1.98 1.88 0.00 3.65 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 1.96 2.01 0.00 108 D 8.08 4.55 0.00 2.78 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 0.00 109 T 7.06 4.51 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 0.00 110 A 8.10 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.59 4.41 0.00 1.53 1.67 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.28 7.81 112 V 7.88 4.04 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 0.86 0.00 0.00 0.88 0.00 0.00 113 V 8.87 4.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.85 0.00 0.00 114 G 7.63 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *116 A 8.24 4.84 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 0.00 117 L 8.71 4.99 0.00 1.68 1.73 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.66 5.35 0.00 1.76 1.80 0.00 3.04 0.00 0.00 3.87 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 119 A 8.54 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.87 4.79 0.00 2.66 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 0.00 121 R 9.25 3.91 0.00 2.03 2.25 0.00 2.80 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 122 K 8.02 4.03 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.54 7.81 123 I 7.70 3.68 2.06 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 1.53 0.63 0.92 0.00 0.00 124 V 7.72 3.59 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 1.03 0.00 0.00 1.01 0.00 0.00 125 D 7.72 4.37 0.00 2.84 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 0.00 126 K 7.94 4.15 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 127 I 7.74 3.86 2.02 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 1.59 0.56 0.93 0.00 0.00 128 T 7.97 4.32 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 1.25 0.00 0.00 129 K 6.96 3.92 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.42 7.81 130 G 9.21 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 0.00 0.00 0.00 0.00 131 A 7.53 4.10 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 0.00 132 K 8.14 4.61 0.00 1.74 1.80 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.41 7.81 133 L 8.61 4.24 0.00 1.55 1.61 0.92 1.09 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 0.00 134 H 8.84 4.40 0.00 3.27 3.16 0.00 5.75 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 0.00 135 A 8.35 4.21 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 * Residues marked with a * may have inaccurate shift predictions.