NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6073 8.4444 117.3760 54.7331 29.4963 174.7694 1 M 4.3376 7.7643 121.6861 53.6408 32.2189 172.5492 2 K 4.7002 8.4256 125.0965 53.8112 36.0125 177.1267 3 L 4.0792 8.5979 124.4335 58.1313 42.5896 179.2381 4 S 4.1527 8.2416 113.0536 61.3509 62.9000 175.9313 5 D 4.2860 7.7489 119.8966 56.2827 40.5688 177.0889 6 F 4.6123 8.3860 116.6485 56.7858 39.8917 174.3039 7 I 4.3183 7.6304 122.3760 59.6879 38.3836 175.3996 8 K 4.3529 8.1328 127.0760 55.0673 34.0074 175.7352 9 T 5.2246 8.2526 117.0019 60.8783 70.6107 172.3354 10 E 4.7070 8.6409 124.4772 55.1413 33.9553 174.1085 11 D 4.5333 9.2185 120.7251 53.7732 41.1292 176.9899 12 F 4.5454 8.9773 122.4879 59.4073 38.0201 176.7155 13 K 3.7588 7.6878 121.0102 58.3513 31.9726 177.6740 14 K 4.1063 8.0529 119.1241 56.6592 33.1004 175.5430 15 E 4.4713 7.7370 120.0745 53.5893 31.1193 176.0386 16 K 3.8583 8.5132 126.7837 60.0848 32.5961 178.5690 17 H 3.9445 7.7418 115.5598 57.1845 28.6816 175.9394 18 V 3.8190 6.9935 120.5297 61.8813 31.6710 173.6204 19 P 4.6050 0.0000 0.0000 62.8640 32.3415 175.6012 20 V 4.1174 8.7501 124.3291 61.1448 33.2604 174.4443 21 I 4.6105 8.2769 129.1715 60.7475 38.3701 175.1420 22 E 4.6828 9.4775 126.2846 54.7459 31.9831 174.8530 23 A 4.8853 8.3169 124.8138 49.8449 22.2948 174.1055 24 P 4.4076 0.0000 0.0000 62.3557 32.3218 176.6357 25 E 4.2113 8.7234 121.7774 58.8206 30.8101 176.4849 26 K 5.1446 7.8416 118.7403 54.9506 35.5775 175.6713 27 V 4.6614 8.9194 119.1470 59.4991 36.7748 174.5945 28 K 4.8102 8.3992 120.7239 55.1257 33.7867 176.8063 29 K 4.0718 9.0237 125.5197 58.2978 32.3608 176.8413 30 D 4.5182 9.0389 124.7220 54.6997 39.3981 173.8827 31 E 4.3907 7.6253 118.2003 55.4458 30.7788 176.6165 32 K 4.2777 8.5296 121.9717 56.5351 32.8624 176.4803 33 V 4.3120 8.9084 126.2315 61.1721 33.6582 174.4576 34 Q 4.7035 8.6734 127.1734 55.3669 29.8190 175.1103 35 I 4.5667 8.6535 125.2798 59.5343 40.0433 174.5950 36 V 4.6652 8.6551 127.8296 61.0664 33.8224 174.5191 37 V 4.9503 8.6908 127.2239 61.4561 34.7243 174.2350 38 T 5.0056 8.7110 123.4458 61.8062 72.5199 172.7996 39 V 4.2292 8.7292 126.5603 62.0012 32.9824 175.9185 40 G 4.2879 8.1898 114.9212 45.9851 0.0000 174.9661 41 K 3.9988 8.2758 121.1423 59.0397 32.4892 177.3047 42 E 4.3533 8.3598 115.5107 57.5647 30.6732 176.3709 43 I 4.3355 7.4069 120.5468 58.4403 38.4685 173.5526 44 P 4.7080 0.0000 0.0000 62.8815 31.9009 174.9735 45 H 4.7253 8.2166 119.2500 53.3196 31.9220 172.4419 46 P 4.2973 0.0000 0.0000 63.1326 31.6533 176.0893 47 N 4.9548 8.3422 118.9714 51.4770 38.9534 173.0537 48 T 5.0550 8.7694 112.5959 58.9887 72.2796 175.2007 49 T 4.1576 9.4951 119.0681 66.8016 68.4904 176.0688 50 E 4.1762 8.1596 119.3343 58.5996 30.1114 176.1822 51 H 5.0856 8.2340 119.1228 55.4186 33.1860 172.0313 52 H 5.1569 9.2540 120.1351 54.8024 32.2956 172.8044 53 I 4.3264 8.2894 120.6654 61.3822 37.2341 176.3515 54 R 4.5758 9.1552 127.4043 58.6744 31.4737 176.4435 55 W 5.2067 7.5911 113.1611 55.6866 31.5628 173.2305 56 I 5.4554 8.7309 121.1950 59.6259 40.2503 174.6787 57 K 5.0743 9.9860 127.0228 54.5878 35.8178 174.6973 58 V 4.9852 8.6750 125.7238 61.2066 34.4818 174.2267 59 F 5.5707 9.8237 125.9958 55.6910 42.5982 173.9099 60 F 5.5073 9.7156 124.1194 56.5872 42.3731 173.7358 61 Q 4.6613 8.2321 127.4550 53.5244 30.7753 172.5006 62 P 4.3055 0.0000 0.0000 61.8114 32.9261 176.1561 63 D 4.4462 8.7951 124.7690 56.0149 41.1675 178.0102 64 G 3.9902 8.8415 111.2626 45.5010 0.0000 172.8382 65 D 4.6970 7.7840 119.1793 52.7039 42.0743 174.7301 66 P 4.1388 0.0000 0.0000 64.0541 31.5690 175.4148 67 Y 4.8206 7.6918 114.7653 56.0427 41.1145 174.7496 68 V 4.5968 7.8390 113.3315 60.0066 34.5714 175.1716 69 Y 4.7481 8.9046 120.2708 56.0900 41.4196 174.7361 70 E 4.0603 9.1158 125.2200 55.8579 29.3288 176.3103 71 V 3.7594 8.7904 128.7569 65.0205 32.2121 175.9936 72 G 3.7097 6.8931 105.1349 45.9348 0.0000 171.5883 73 R 4.5351 7.7048 119.7007 54.2269 32.5132 174.2236 74 Y 4.4666 8.8357 123.6319 56.3408 40.8572 174.0789 75 E 4.5280 8.5474 124.0211 54.7555 31.4278 175.9936 76 F 4.9897 8.8072 123.6857 56.3472 40.0417 175.2534 77 N 4.8885 9.1140 119.7807 52.5274 40.1595 174.4449 78 A 4.6636 7.5411 121.6304 50.6848 20.8139 176.9071 79 H 4.8785 8.9519 122.6170 55.2149 30.1200 175.2142 80 G 3.7630 7.3472 104.7263 45.8432 0.0000 173.9307 81 E 4.2709 7.1392 118.7632 56.7285 30.1696 176.3490 82 S 4.6227 8.1027 114.8443 56.9759 65.3667 175.4878 83 V 3.7395 8.3130 117.6270 64.3301 31.3948 177.8308 84 Q 4.0380 8.0892 117.9499 56.9639 28.5538 175.3321 85 G 4.3518 7.4459 104.0418 41.7274 0.0000 171.2139 86 P 4.3106 0.0000 0.0000 63.7878 31.7429 175.7758 87 N 4.3998 8.6307 116.2948 54.5736 36.5914 175.1369 88 I 4.2771 7.3162 116.5990 61.1616 38.1266 176.2144 89 G 3.7251 8.0694 110.0162 45.3422 0.0000 173.4460 90 A 4.4579 8.2589 121.0221 52.7724 19.6553 177.8436 91 V 4.6745 7.0913 115.0529 60.4046 34.9641 173.4650 92 Y 4.9007 8.6720 120.1840 56.5601 41.9903 174.1000 93 T 4.6173 8.8980 121.3321 61.9586 69.8994 174.5091 94 E 4.1587 8.7396 126.6860 54.7818 30.6101 176.0747 95 P 2.9700 0.0000 0.0000 61.1457 30.2715 174.7137 96 T 5.1335 6.5509 114.1269 61.0112 71.1867 173.7011 97 V 4.6256 8.8447 126.3170 60.5517 35.3961 173.5989 98 T 4.8914 8.4639 119.4541 62.1910 70.3680 173.4983 99 T 4.6009 8.6437 121.1025 60.1020 70.8527 172.7528 100 V 4.9047 8.2636 124.8126 61.2355 34.1284 174.9424 101 V 4.6119 8.8295 120.1863 59.4165 35.9392 174.4599 102 K 4.9937 8.5072 121.2022 54.7064 34.4126 175.6459 103 L 4.7380 8.4414 124.2454 52.6421 44.9521 176.5243 104 N 4.9777 8.5989 117.1237 52.2011 38.2138 173.9315 105 R 4.6964 7.6171 116.9637 55.0455 33.3156 174.6392 106 S 4.5291 8.8332 119.9055 59.3934 64.2678 174.0182 107 G 4.2892 8.4578 107.2128 46.5642 0.0000 171.6447 108 T 5.1309 7.5919 117.4885 61.7583 72.1954 173.5586 109 I 4.7448 9.0306 128.1101 60.9791 38.7798 174.8434 110 I 5.0330 9.3565 128.1412 59.4917 40.0166 174.2709 111 A 5.3645 9.2298 129.4278 50.1969 21.6142 175.1147 112 L 5.5228 9.3524 124.1858 53.3778 45.5848 175.4628 113 S 5.2478 9.5983 119.8190 56.8055 67.3137 172.0644 114 Y 4.9332 7.8401 120.9708 55.9366 41.0765 173.4262 115 C 4.7736 8.6660 127.7699 57.3449 33.1647 174.3309 116 N 3.8398 8.5202 123.4921 54.9043 36.8555 175.5609 117 I 4.4441 7.0665 108.9388 60.3741 38.9613 175.6251 118 H 4.9098 7.9889 116.8905 55.0800 30.0977 175.7644 119 G 3.9274 7.7930 108.8439 45.8516 0.0000 172.4975 120 L 5.3381 8.0906 119.1099 53.3978 44.2842 175.9429 121 W 5.7680 9.1339 121.2312 55.3384 33.8740 173.8109 122 E 5.5736 9.2957 120.1903 55.3967 32.7563 173.9871 123 S 4.9403 9.2457 114.8782 57.9305 67.1524 172.4442 124 S 5.2116 8.4362 113.0938 57.9647 65.8481 173.3653 125 Q 4.6431 9.0344 120.9884 54.7989 32.6248 173.5156 126 K 4.6935 8.7536 127.6513 56.4710 33.4851 175.6636 127 I 4.8557 8.9038 125.7922 59.7117 41.4841 173.7999 128 T 4.8482 8.9437 126.2133 62.2239 70.3625 173.8339 129 V 5.0198 8.9575 126.3382 61.1464 33.9882 174.2896 130 E 4.8534 8.8868 123.4314 54.0763 33.8178 175.5885 131 E 4.1324 8.7021 118.2406 56.8430 29.5391 177.1998 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 *0 H 8.44 4.61 0.00 2.95 2.99 0.00 7.14 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.76 4.34 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 2 K 8.43 4.70 0.00 1.85 1.68 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.39 7.81 3 L 8.60 4.08 0.00 1.75 1.70 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.24 4.15 0.00 4.02 4.11 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 0.00 0.00 0.00 5 D 7.75 4.29 0.00 2.70 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 0.00 0.00 0.00 0.00 6 F 8.39 4.61 0.00 3.03 2.99 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 7 I 7.63 4.32 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.98 0.00 0.00 8 K 8.13 4.35 0.00 0.79 1.06 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.99 0.81 7.81 9 T 8.25 5.22 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 1.26 0.00 0.00 10 E 8.64 4.71 0.00 2.24 1.93 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 2.39 2.45 0.00 11 D 9.22 4.53 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.98 4.55 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.69 3.76 0.00 1.67 1.68 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.06 0.30 7.81 14 K 8.05 4.11 0.00 1.61 1.94 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 15 E 7.74 4.47 0.00 2.04 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 2.08 1.85 0.00 16 K 8.51 3.86 0.00 1.94 1.98 0.00 1.30 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.04 7.81 17 H 7.74 3.94 0.00 1.40 1.31 0.00 5.85 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 18 V 6.99 3.82 2.22 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 1.00 0.00 0.00 1.16 0.00 0.00 19 P 0.00 4.61 0.00 2.22 2.16 0.00 3.98 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 20 V 8.75 4.12 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 0.31 0.00 0.00 0.45 0.00 0.00 21 I 8.28 4.61 1.89 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 1.40 0.71 0.94 0.00 0.00 22 E 9.48 4.68 0.00 1.78 1.81 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 2.14 2.12 0.00 23 A 8.32 4.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.06 2.00 0.00 3.69 0.00 0.00 3.70 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 25 E 8.72 4.21 0.00 2.07 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 2.40 2.33 0.00 26 K 7.84 5.14 0.00 1.76 1.61 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.65 7.81 27 V 8.92 4.66 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 0.76 0.00 0.00 0.98 0.00 0.00 28 K 8.40 4.81 0.00 1.85 1.71 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.50 1.00 7.81 29 K 9.02 4.07 0.00 1.74 1.74 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.42 7.81 30 D 9.04 4.52 0.00 2.83 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 31 E 7.63 4.39 0.00 1.85 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 2.32 2.28 0.00 32 K 8.53 4.28 0.00 1.63 1.74 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 V 8.91 4.31 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 1.02 0.00 0.00 0.93 0.00 0.00 34 Q 8.67 4.70 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.50 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 35 I 8.65 4.57 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.93 0.00 0.00 36 V 8.66 4.67 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 0.94 0.00 0.00 0.90 0.00 0.00 37 V 8.69 4.95 2.14 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 1.01 0.00 0.00 0.96 0.00 0.00 38 T 8.71 5.01 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 1.13 0.00 0.00 39 V 8.73 4.23 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 0.64 0.00 0.00 0.95 0.00 0.00 40 G 8.19 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 0.00 0.00 0.00 0.00 41 K 8.28 4.00 0.00 1.61 1.80 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.52 7.81 42 E 8.36 4.35 0.00 2.11 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 2.66 2.50 0.00 43 I 7.41 4.34 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 0.85 0.00 0.00 44 P 0.00 4.71 0.00 2.12 2.01 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 45 H 8.22 4.73 0.00 2.95 3.06 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.30 0.00 1.76 1.89 0.00 2.87 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 47 N 8.34 4.95 0.00 2.65 2.70 0.00 0.00 6.81 7.70 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 48 T 8.77 5.06 4.56 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 1.25 0.00 0.00 49 T 9.50 4.16 4.30 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 1.25 0.00 0.00 50 E 8.16 4.18 0.00 1.98 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 2.33 2.38 0.00 51 H 8.23 5.09 0.00 3.15 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.25 5.16 0.00 3.12 3.50 0.00 5.31 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.29 4.33 1.88 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.61 1.01 0.00 0.00 54 R 9.16 4.58 0.00 1.87 2.31 0.00 3.60 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 55 W 7.59 5.21 0.00 3.35 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 56 I 8.73 5.46 2.34 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 1.19 0.00 0.00 57 K 9.99 5.07 0.00 1.74 1.84 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.64 1.04 7.81 58 V 8.68 4.99 2.28 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 1.07 0.00 0.00 1.10 0.00 0.00 59 F 9.82 5.57 0.00 3.00 2.93 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 60 F 9.72 5.51 0.00 3.13 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 61 Q 8.23 4.66 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 62 P 0.00 4.31 0.00 2.21 2.13 0.00 3.97 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 63 D 8.80 4.45 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.84 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 65 D 7.78 4.70 0.00 2.77 2.74 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 66 P 0.00 4.14 0.00 0.63 1.62 0.00 3.50 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 67 Y 7.69 4.82 0.00 2.63 2.39 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 68 V 7.84 4.60 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 0.62 0.00 0.00 0.64 0.00 0.00 69 Y 8.90 4.75 0.00 3.09 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 70 E 9.12 4.06 0.00 2.01 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 1.97 1.62 0.00 71 V 8.79 3.76 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 0.87 0.00 0.00 1.06 0.00 0.00 72 G 6.89 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.70 4.54 0.00 1.31 1.35 0.00 2.44 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.05 0.00 74 Y 8.84 4.47 0.00 2.91 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 75 E 8.55 4.53 0.00 1.78 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 0.00 2.19 2.16 0.00 76 F 8.81 4.99 0.00 3.05 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 77 N 9.11 4.89 0.00 2.70 2.84 0.00 0.00 6.94 7.35 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 78 A 7.54 4.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.95 4.88 0.00 3.24 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.35 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 0.00 0.00 0.00 81 E 7.14 4.27 0.00 1.73 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 0.00 2.36 2.31 0.00 82 S 8.10 4.62 0.00 3.78 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 83 V 8.31 3.74 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 0.76 0.00 0.00 0.93 0.00 0.00 84 Q 8.09 4.04 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 85 G 7.45 4.35 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 0.00 0.00 0.00 86 P 0.00 4.31 0.00 2.34 2.09 0.00 3.94 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 2.01 2.01 0.00 87 N 8.63 4.40 0.00 2.98 3.06 0.00 0.00 6.87 7.25 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 88 I 7.32 4.28 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.93 0.00 0.00 89 G 8.07 3.73 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 0.00 0.00 0.00 90 A 8.26 4.46 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 91 V 7.09 4.67 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 0.69 0.00 0.00 0.93 0.00 0.00 92 Y 8.67 4.90 0.00 2.93 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 93 T 8.90 4.62 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 1.42 0.00 0.00 94 E 8.74 4.16 0.00 1.76 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 2.30 2.20 0.00 95 P 0.00 2.97 0.00 2.01 1.98 0.00 3.46 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 96 T 6.55 5.13 4.12 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 1.10 0.00 0.00 97 V 8.84 4.63 2.39 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 0.53 0.00 0.00 0.68 0.00 0.00 98 T 8.46 4.89 4.20 0.00 0.00 0.00 0.00 0.00 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 99 T 8.64 4.60 3.68 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 1.19 0.00 0.00 100 V 8.26 4.90 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 0.90 0.00 0.00 0.91 0.00 0.00 101 V 8.83 4.61 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 0.63 0.00 0.00 0.82 0.00 0.00 102 K 8.51 4.99 0.00 1.54 1.65 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.39 7.81 103 L 8.44 4.74 0.00 1.46 1.35 0.74 -0.39 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 0.00 104 N 8.60 4.98 0.00 2.75 2.83 0.00 0.00 5.80 7.66 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 0.00 105 R 7.62 4.70 0.00 1.82 1.96 0.00 3.32 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 106 S 8.83 4.53 0.00 3.97 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 0.00 107 G 8.46 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 0.00 0.00 0.00 0.00 108 T 7.59 5.13 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 1.30 0.00 0.00 109 I 9.03 4.74 2.00 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 1.43 0.96 1.05 0.00 0.00 110 I 9.36 5.03 2.09 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 1.23 1.03 1.07 0.00 0.00 111 A 9.23 5.36 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 0.00 112 L 9.35 5.52 0.00 2.13 1.97 1.21 1.31 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 0.00 113 S 9.60 5.25 0.00 3.99 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 0.00 114 Y 7.84 4.93 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 C 8.67 4.77 0.00 2.96 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 0.00 116 N 8.52 3.84 0.00 2.80 2.77 0.00 0.00 6.74 7.35 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 0.00 117 I 7.07 4.44 1.69 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.24 0.82 0.00 0.00 118 H 7.99 4.91 0.00 3.14 3.41 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.79 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 0.00 0.00 0.00 120 L 8.09 5.34 0.00 1.79 1.64 1.04 1.01 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 0.00 121 W 9.13 5.77 0.00 3.32 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 0.00 122 E 9.30 5.57 0.00 2.19 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 2.27 2.34 0.00 123 S 9.25 4.94 0.00 3.96 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 0.00 124 S 8.44 5.21 0.00 3.99 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 0.00 125 Q 9.03 4.64 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 126 K 8.75 4.69 0.00 1.82 1.72 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.54 7.81 127 I 8.90 4.86 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.76 1.23 0.00 0.00 128 T 8.94 4.85 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 1.24 0.00 0.00 129 V 8.96 5.02 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 0.82 0.00 0.00 0.99 0.00 0.00 130 E 8.89 4.85 0.00 2.04 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 2.34 2.27 0.00 131 E 8.70 4.13 0.00 1.98 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 2.32 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.