NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3182 0.0000 0.0000 62.2951 33.4636 174.7388 3 E 4.9603 8.5053 119.7610 53.9427 33.1728 170.2221 4 V 4.6993 8.7629 122.4190 61.3744 36.1083 173.8653 5 R 5.1208 8.5805 121.1107 54.6582 32.3322 173.8718 6 A 4.8552 8.8721 123.9964 50.0626 22.4120 174.6067 7 E 5.0402 8.5600 120.0682 54.5325 33.0033 174.8048 8 R 5.1113 9.1587 126.3149 55.1611 34.2321 172.9035 9 Y 5.2411 9.5306 124.4270 56.2331 39.7078 174.6435 10 I 4.5879 9.1389 124.9437 58.5012 40.4747 174.1789 11 P 5.2530 0.0000 0.0000 60.9337 28.4264 175.1432 12 A 4.3754 7.6802 125.7655 50.1120 22.1694 175.4350 13 P 4.3756 0.0000 0.0000 62.6645 32.9987 175.6430 14 P 4.6982 0.0000 0.0000 65.4831 31.3653 178.6898 15 E 4.0647 8.1738 116.5501 59.2857 29.3925 179.3154 16 R 3.8564 7.8627 118.3263 59.3541 30.4332 178.5469 17 V 3.6117 7.8747 118.1266 66.0887 31.3689 177.3002 18 Y 2.4368 8.1941 119.6945 60.2324 38.2931 178.1560 19 R 3.4725 7.7742 119.4132 59.0847 29.9481 178.4179 20 L 3.8487 7.6346 117.7786 57.1812 41.6499 178.7737 21 A 4.0163 7.3861 119.7364 54.2255 18.4720 179.1044 22 K 2.5068 6.6665 117.6433 57.7001 33.0790 177.5534 23 D 4.3643 7.1013 119.5763 52.8134 39.1135 176.1572 24 L 3.9859 7.7148 124.4629 57.3338 41.8310 178.4491 25 E 3.9965 8.0171 117.3327 59.0398 29.5344 179.0460 26 G 3.7797 8.0559 106.3410 46.5023 0.0000 175.2607 27 L 4.2159 7.7189 122.4418 57.4591 42.0774 178.5087 28 K 3.8126 7.7668 119.9589 59.0120 31.8677 176.6554 29 P 4.2984 0.0000 0.0000 64.8736 31.5335 176.1581 30 Y 4.3156 8.2201 115.6906 57.8374 38.7292 175.1427 31 L 4.7776 7.7821 122.2436 52.9864 40.8518 177.2810 32 K 4.1187 8.5502 123.7638 58.9238 32.8456 178.0434 33 E 4.4224 8.2462 117.6159 56.1157 30.0417 175.0182 34 V 4.5547 7.5325 119.8916 61.2400 32.9282 174.7242 35 E 4.4018 9.0774 128.5256 57.7782 30.9673 176.3169 36 S 4.4649 7.6179 113.8024 56.6956 66.1034 172.6819 37 L 4.5624 8.2799 128.2592 53.3433 44.4862 174.9064 38 E 4.6465 8.4408 126.4540 54.1949 32.5409 175.7217 39 V 4.0999 8.4292 125.5130 62.9207 31.1932 175.8323 40 V 4.0409 8.8269 129.3562 64.8204 32.2921 175.7935 41 A 4.9141 7.7572 120.3386 50.6706 22.6105 175.2614 42 R 5.2184 8.3318 115.7500 54.9336 33.0214 174.9057 43 E 4.4801 10.1750 119.5581 56.3314 33.3488 177.3163 44 G 3.8772 9.1705 115.0036 46.7421 0.0000 173.6350 45 A 4.5116 9.1709 129.3361 52.6415 19.7837 177.8483 46 R 5.3312 8.6139 116.3173 54.6133 33.0203 175.4239 47 T 5.2019 9.2464 119.3018 61.7885 72.5586 172.7597 48 R 5.2351 8.8821 125.4794 54.6759 32.8328 174.8148 49 S 5.1420 9.5018 119.9314 56.6282 67.4593 172.6034 50 R 4.9033 8.9107 121.9843 54.6146 32.0006 174.5489 51 W 4.7949 8.8201 126.9787 54.8340 31.8886 175.6733 52 V 4.5157 8.7194 122.7984 61.3375 33.8721 174.1070 53 A 5.3750 9.2674 129.9318 50.3051 22.4473 175.0081 54 V 4.7613 8.7512 112.8411 58.8781 33.9957 176.5004 55 A 4.6501 8.1491 128.6265 51.4156 19.1188 176.8571 *57 G 3.9405 8.0127 110.5397 45.0928 0.0000 172.9060 58 K 4.7032 7.6863 120.3798 54.5265 34.6618 175.4756 59 K 4.8222 8.5053 124.3450 55.9576 34.5953 175.7984 60 V 4.6311 8.9886 122.3638 61.2843 34.3303 174.3002 61 R 5.3393 9.7000 127.1457 54.2719 33.3245 174.8160 62 W 5.6040 8.6543 119.1845 55.3909 32.2334 173.3612 63 L 5.1458 9.1235 121.0530 53.4536 43.7417 175.3479 64 E 5.0007 9.6316 123.1026 54.6253 33.2817 173.8543 65 E 5.1591 9.1965 126.9271 54.6591 31.6762 174.5656 66 E 5.1370 9.2119 123.0678 54.5523 32.5995 174.6211 67 E 5.0230 9.5463 124.1666 54.7167 31.5956 174.7614 68 W 5.0338 9.8916 126.3286 55.3117 31.2720 175.9138 69 D 4.8214 9.5889 125.9072 52.7285 40.4846 176.3805 70 D 4.4437 8.8249 125.6735 57.0461 41.5171 178.1960 71 E 4.0556 8.5079 117.9501 59.2111 29.4371 177.5382 72 N 4.6619 8.3949 112.2026 51.6814 38.0801 174.4596 73 L 2.4400 7.4506 117.5278 56.1046 39.5950 173.5382 74 R 5.6167 7.5486 115.5004 54.7323 35.3433 175.2366 75 N 5.4833 9.6600 117.2709 51.3989 41.1891 173.2186 76 R 5.1165 9.0794 120.7653 54.6783 33.7459 174.1513 77 F 5.7726 8.8171 119.1584 55.6098 41.9927 173.2298 78 F 5.3952 9.2359 114.0921 55.9338 41.6429 172.7806 79 S 5.4097 9.1889 116.0883 55.6462 62.7498 172.3445 80 P 4.8000 0.0000 0.0000 64.4746 32.1401 175.6827 81 E 4.7980 7.4126 115.3205 55.3654 32.6635 175.9377 82 G 3.9537 8.3224 106.5009 45.4174 0.0000 172.5232 83 D 4.4434 8.3547 120.3917 56.6512 41.2144 177.0013 84 F 4.5548 7.8131 116.8733 57.0662 39.3625 176.0305 85 D 4.6862 9.0819 122.6706 57.1404 41.6207 177.4087 86 R 4.7288 7.9940 116.5342 54.8194 34.9766 174.2546 87 Y 4.7439 8.5988 125.2735 57.1859 41.0569 172.8078 88 E 4.2277 7.8322 124.0681 54.8277 33.6963 175.5029 89 G 3.8715 6.1025 104.9538 45.9831 0.0000 171.2226 90 T 5.4842 7.1273 107.8568 59.2331 72.8045 173.0155 91 W 5.0944 9.6644 123.8810 55.2799 31.4620 175.5402 92 V 4.8934 8.5873 117.3461 59.4914 35.5035 174.9117 93 F 5.0647 8.9387 122.1016 56.0410 41.2276 174.4617 94 L 4.9636 8.9084 124.9600 51.9741 44.2369 174.5909 95 P 4.8580 0.0000 0.0000 62.8641 32.4862 175.8331 96 E 4.3398 9.2146 124.2482 55.8511 31.8101 175.0351 97 G 4.1008 9.4205 117.2777 47.2641 0.0000 171.6130 98 E 3.8420 8.4693 113.2767 56.3924 28.9676 172.7556 99 G 4.0965 8.5895 107.4332 45.8457 0.0000 171.8965 100 T 5.2764 8.7836 116.9274 61.9380 72.7204 173.6922 101 R 4.7270 9.4446 125.8801 54.9539 31.5501 175.4068 102 V 4.4439 9.0260 125.9211 61.6262 33.4007 174.7535 103 V 4.6429 8.5007 127.6949 60.8844 34.2912 173.6571 104 L 4.8325 8.7379 130.3550 53.2285 44.5519 174.8325 105 T 4.8683 8.6367 116.7694 59.6803 71.6669 172.7817 106 L 4.8016 9.0900 127.2879 53.4605 45.4073 174.5529 107 T 4.9543 8.8471 122.2671 60.5374 69.3860 172.8099 108 Y 5.2164 8.2388 125.7789 55.3456 42.2906 173.7875 109 E 4.7439 9.6162 121.2245 54.4809 33.2385 173.7725 110 L 5.1517 8.7470 128.6140 53.3092 44.4693 175.7236 111 T 4.1612 8.3871 116.8040 61.1907 69.4019 174.2106 112 I 4.4948 8.1456 126.7215 58.3739 39.5903 173.6725 113 P 4.2376 0.0000 0.0000 63.9512 31.8474 176.9027 114 I 3.3547 8.5601 126.9705 61.4099 35.8156 174.6275 115 F 4.8396 8.0711 117.9345 56.8910 39.1701 177.6503 116 G 3.9662 8.4361 110.6919 47.5815 0.0000 175.0782 117 G 4.0008 8.2970 107.0624 46.2861 0.0000 174.8946 118 L 4.0870 8.2602 120.3860 57.1257 42.2945 177.0795 119 L 4.7430 7.7603 115.2354 53.7381 43.8475 177.8750 120 R 3.9345 7.8892 119.1629 59.6918 29.7178 178.1402 121 K 3.9769 8.0026 117.4384 59.2790 32.4409 178.1277 122 L 4.0561 7.9142 120.1979 58.2176 42.2072 178.6415 123 V 3.5567 8.4437 118.4998 66.5491 31.1708 177.7209 124 Q 4.5875 7.8707 118.9820 57.8683 29.1923 177.5729 125 K 4.1685 8.1783 121.2966 59.2304 32.1936 179.2711 126 L 4.0968 7.2589 115.0269 55.7042 41.3383 178.9151 *128 Q 4.2102 7.9892 119.8227 56.1617 30.7754 177.6193 129 E 3.9924 8.1723 117.2733 59.2265 29.2918 179.0230 130 N 4.6249 8.4554 118.3075 55.9686 38.6989 177.9134 131 V 3.5069 7.5895 113.0272 64.3119 31.6751 178.1803 132 E 3.9279 8.0080 118.2839 59.6843 29.3755 179.4326 133 S 4.1368 8.7166 113.3548 61.3356 62.4110 176.2065 134 L 4.2183 8.2304 122.0410 57.9699 41.4308 179.5466 135 L 4.1943 8.1188 118.9377 57.3852 41.5273 179.3295 136 K 4.0165 8.4215 120.0290 59.5914 32.1865 179.0558 137 G 3.8236 8.2660 107.1709 47.2035 0.0000 175.1265 138 L 3.9984 8.0545 122.9672 57.9350 41.9623 178.4333 139 E 3.9268 8.2703 118.9746 59.5528 29.4654 178.4738 140 E 3.9020 8.1964 118.1894 59.5173 29.6445 179.2595 141 R 2.5221 7.8582 118.6758 59.2642 29.4635 178.6983 142 V 3.5423 7.8835 118.0243 65.9455 31.3006 177.9985 143 L 4.0709 8.0377 117.9193 57.3700 41.4880 178.9518 144 A 4.1417 8.0589 120.5866 54.8475 18.4690 179.0352 145 A 4.0941 7.8167 117.3851 53.8636 18.6203 178.0201 146 S 4.3609 7.5216 115.3876 58.4715 62.6560 173.3475 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 P 0.00 4.32 0.00 1.31 1.87 0.00 3.16 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 3 E 8.51 4.96 0.00 1.80 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 0.00 2.11 2.32 0.00 4 V 8.76 4.70 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 0.85 0.00 0.00 1.00 0.00 0.00 5 R 8.58 5.12 0.00 1.70 1.75 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 6 A 8.87 4.86 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 7 E 8.56 5.04 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 8 R 9.16 5.11 0.00 1.94 1.76 0.00 3.21 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 9 Y 9.53 5.24 0.00 3.00 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 10 I 9.14 4.59 2.00 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 1.36 1.00 0.97 0.00 0.00 11 P 0.00 5.25 0.00 2.10 2.12 0.00 3.84 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 1.99 0.00 12 A 7.68 4.38 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 13 P 0.00 4.38 0.00 2.29 2.23 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 14 P 0.00 4.70 0.00 2.24 2.31 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 15 E 8.17 4.06 0.00 1.98 2.01 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 2.38 2.31 0.00 16 R 7.86 3.86 0.00 1.88 2.07 0.00 3.18 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 17 V 7.87 3.61 2.27 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 1.26 0.00 0.00 1.13 0.00 0.00 18 Y 8.19 2.44 0.00 2.23 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 19 R 7.77 3.47 0.00 2.15 1.76 0.00 3.27 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 20 L 7.63 3.85 0.00 1.65 1.61 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.39 4.02 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 22 K 6.67 2.51 0.00 0.79 1.11 0.00 1.02 0.00 0.00 1.00 0.00 0.00 2.47 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.21 7.81 23 D 7.10 4.36 0.00 2.60 2.35 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 24 L 7.71 3.99 0.00 1.61 1.52 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.02 4.00 0.00 1.83 1.91 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 2.16 2.24 0.00 26 G 8.06 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.72 4.22 0.00 1.93 1.83 1.07 0.48 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 28 K 7.77 3.81 0.00 1.71 1.94 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 29 P 0.00 4.30 0.00 1.84 2.01 0.00 3.90 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 1.97 2.02 0.00 30 Y 8.22 4.32 0.00 3.25 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 31 L 7.78 4.78 0.00 2.01 1.79 1.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.55 4.12 0.00 1.89 1.99 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 33 E 8.25 4.42 0.00 2.16 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 0.00 2.40 2.35 0.00 34 V 7.53 4.55 2.30 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 0.76 0.00 0.00 1.32 0.00 0.00 35 E 9.08 4.40 0.00 2.00 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 2.23 2.22 0.00 36 S 7.62 4.46 0.00 3.81 3.54 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 37 L 8.28 4.56 0.00 1.03 1.03 -0.26 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.44 4.65 0.00 1.82 1.70 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 2.08 2.05 0.00 39 V 8.43 4.10 2.01 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 0.74 0.00 0.00 0.84 0.00 0.00 40 V 8.83 4.04 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 0.78 0.00 0.00 0.96 0.00 0.00 41 A 7.76 4.91 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 42 R 8.33 5.22 0.00 1.76 1.85 0.00 3.03 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 43 E 10.18 4.48 0.00 2.09 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 0.00 2.26 2.43 0.00 44 G 9.17 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 45 A 9.17 4.51 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.61 5.33 0.00 1.96 2.03 0.00 3.35 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 47 T 9.25 5.20 4.73 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 1.43 0.00 0.00 48 R 8.88 5.24 0.00 2.02 1.78 0.00 3.06 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 49 S 9.50 5.14 0.00 3.75 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 50 R 8.91 4.90 0.00 1.78 1.70 0.00 3.03 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 51 W 8.82 4.79 0.00 1.78 1.88 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 52 V 8.72 4.52 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 1.02 0.00 0.00 0.86 0.00 0.00 53 A 9.27 5.37 1.63 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 0.00 0.00 54 V 8.75 4.76 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 0.73 0.00 0.00 1.05 0.00 0.00 55 A 8.15 4.65 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 *57 G 8.01 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 58 K 7.69 4.70 0.00 1.81 1.66 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.36 7.81 59 K 8.51 4.82 0.00 1.83 1.81 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.44 7.81 60 V 8.99 4.63 2.33 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 0.79 0.00 0.00 0.95 0.00 0.00 61 R 9.70 5.34 0.00 1.78 1.80 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 62 W 8.65 5.60 0.00 3.47 3.33 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 63 L 9.12 5.15 0.00 1.84 1.67 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.63 5.00 0.00 2.25 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 0.00 2.58 2.68 0.00 65 E 9.20 5.16 0.00 1.16 1.70 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 1.96 1.94 0.00 66 E 9.21 5.14 0.00 1.38 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 2.52 2.93 0.00 67 E 9.55 5.02 0.00 1.92 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 2.37 2.41 0.00 68 W 9.89 5.03 0.00 3.22 3.34 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 69 D 9.59 4.82 0.00 2.77 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 70 D 8.82 4.44 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.51 4.06 0.00 2.12 2.01 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 2.33 2.37 0.00 72 N 8.39 4.66 0.00 2.83 2.90 0.00 0.00 7.13 7.32 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 73 L 7.45 2.44 0.00 1.91 1.63 0.94 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.55 5.62 0.00 1.83 1.91 0.00 3.13 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 75 N 9.66 5.48 0.00 1.67 2.80 0.00 0.00 6.74 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 9.08 5.12 0.00 1.86 1.80 0.00 3.01 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 77 F 8.82 5.77 0.00 3.25 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 78 F 9.24 5.40 0.00 3.05 3.07 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 79 S 9.19 5.41 0.00 4.16 4.02 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 80 P 0.00 4.80 0.00 2.37 2.48 0.00 4.09 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.90 0.00 81 E 7.41 4.80 0.00 2.11 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 0.00 2.26 2.31 0.00 82 G 8.32 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.35 4.44 0.00 2.42 2.44 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 84 F 7.81 4.55 0.00 2.92 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 85 D 9.08 4.69 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.99 4.73 0.00 1.79 1.74 0.00 3.16 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 87 Y 8.60 4.74 0.00 2.57 2.56 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 88 E 7.83 4.23 0.00 1.88 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 0.00 2.15 2.01 0.00 89 G 6.10 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 90 T 7.13 5.48 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 1.16 0.00 0.00 91 W 9.66 5.09 0.00 3.44 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 92 V 8.59 4.89 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 0.77 0.00 0.00 0.88 0.00 0.00 93 F 8.94 5.06 0.00 2.96 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 94 L 8.91 4.96 0.00 1.60 1.58 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.86 0.00 2.10 2.09 0.00 3.81 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 2.01 1.99 0.00 96 E 9.21 4.34 0.00 2.02 1.84 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 0.00 2.20 2.22 0.00 97 G 9.42 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.47 3.84 0.00 2.06 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 2.22 2.37 0.00 99 G 8.59 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.78 5.28 4.40 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 1.48 0.00 0.00 101 R 9.44 4.73 0.00 1.83 1.88 0.00 3.31 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 102 V 9.03 4.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.20 0.00 0.00 103 V 8.50 4.64 2.00 0.00 0.00 0.00 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 0.94 0.00 0.00 104 L 8.74 4.83 0.00 1.08 1.05 0.26 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.64 4.87 4.13 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 1.12 0.00 0.00 106 L 9.09 4.80 0.00 1.50 1.34 -0.14 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.85 4.95 4.09 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 1.06 0.00 0.00 108 Y 8.24 5.22 0.00 2.93 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.62 4.74 0.00 1.89 1.80 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 2.21 2.19 0.00 110 L 8.75 5.15 0.00 1.99 1.75 0.75 1.04 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 0.00 111 T 8.39 4.16 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 1.26 0.00 0.00 112 I 8.15 4.49 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 1.06 0.00 0.00 113 P 0.00 4.24 0.00 2.24 1.99 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 114 I 8.56 3.35 0.93 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 1.22 0.22 0.10 0.00 0.00 115 F 8.07 4.84 0.00 3.08 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 0.00 116 G 8.44 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 0.00 0.00 0.00 117 G 8.30 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 0.00 118 L 8.26 4.09 0.00 1.76 1.97 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.76 4.74 0.00 1.77 1.65 0.81 0.81 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 0.00 120 R 7.89 3.93 0.00 2.09 1.97 0.00 3.11 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 121 K 8.00 3.98 0.00 1.79 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.58 7.81 122 L 7.91 4.06 0.00 1.81 1.86 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.44 3.56 2.40 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 1.18 0.00 0.00 1.08 0.00 0.00 124 Q 7.87 4.59 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 125 K 8.18 4.17 0.00 1.87 1.96 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 126 L 7.26 4.10 0.00 2.09 1.66 0.99 0.93 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 *128 Q 7.99 4.21 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 129 E 8.17 3.99 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 130 N 8.46 4.62 0.00 2.80 2.89 0.00 0.00 6.65 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 0.00 131 V 7.59 3.51 1.88 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 0.70 0.00 0.00 0.87 0.00 0.00 132 E 8.01 3.93 0.00 2.22 2.01 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 2.31 2.46 0.00 133 S 8.72 4.14 0.00 3.94 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.23 4.22 0.00 2.00 1.81 1.26 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.12 4.19 0.00 1.85 1.77 0.89 0.27 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 0.00 136 K 8.42 4.02 0.00 1.96 2.10 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.57 7.81 137 G 8.27 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 0.00 138 L 8.05 4.00 0.00 2.06 2.10 1.00 1.36 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 0.00 139 E 8.27 3.93 0.00 2.39 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 2.35 2.53 0.00 140 E 8.20 3.90 0.00 2.32 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 2.41 2.54 0.00 141 R 7.86 2.52 0.00 1.26 1.90 0.00 2.87 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 142 V 7.88 3.54 2.25 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 0.98 0.00 0.00 0.95 0.00 0.00 143 L 8.04 4.07 0.00 1.75 1.70 0.92 1.03 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 0.00 144 A 8.06 4.14 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 0.00 145 A 7.82 4.09 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 0.00 146 S 7.52 4.36 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.