NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3250 8.3044 120.3314 55.5296 33.7908 175.4401 2 D 4.5887 7.8086 122.5464 52.7758 39.3503 174.4922 3 F 4.9821 8.8133 120.6552 57.3396 41.0522 175.3808 4 R 4.9477 9.3697 120.1204 54.5961 34.3570 174.1667 5 I 4.9918 8.5022 115.2594 59.2694 40.9598 174.4546 6 G 4.3729 9.0095 110.1654 44.6513 0.0000 171.2595 7 Q 5.1827 8.6879 117.7896 54.1885 31.8562 174.5266 8 G 4.3927 9.4323 108.9073 44.6850 0.0000 170.9126 9 Y 5.4590 8.5440 122.6531 55.8450 42.0076 173.6764 10 D 4.6731 8.2424 124.3613 53.0791 45.4017 174.1098 11 V 4.7915 7.7367 121.9401 60.7887 34.5004 173.3779 12 H 5.0023 8.8859 119.3820 53.8551 33.3655 172.9573 13 Q 4.6205 8.6912 120.2094 56.1229 30.1269 175.2052 14 L 4.9261 8.6407 123.8567 54.0321 42.4946 176.5956 15 V 4.7253 9.1589 117.3865 58.8310 36.1006 173.2104 16 P 4.7989 0.0000 0.0000 61.8763 33.0214 176.2176 17 G 4.0160 8.5310 110.3888 43.5321 0.0000 172.2498 18 R 4.6387 7.7006 123.5177 53.8747 32.8021 174.1397 19 P 4.6636 0.0000 0.0000 62.6958 32.8647 175.7555 20 L 4.4123 8.5044 124.0817 54.2941 42.7981 175.0656 21 I 5.0098 8.2309 127.7970 59.5588 40.2562 175.1150 22 I 4.7846 8.1612 127.8359 60.4482 40.3192 175.9734 23 G 3.6047 9.8904 113.0556 46.6462 0.0000 174.9540 24 G 3.8674 9.0186 106.3807 45.0678 0.0000 174.1694 25 V 4.2023 7.3395 120.4495 60.8861 32.6606 174.7775 26 T 4.5489 8.4727 124.7122 63.6048 68.9937 173.8952 27 I 4.3887 8.5736 127.9162 58.4269 39.5841 173.8325 28 P 4.3528 0.0000 0.0000 63.4365 31.5181 175.1980 29 Y 4.8242 8.2224 123.2858 56.5023 41.4153 174.0148 30 E 3.9355 7.8504 123.0177 58.2141 30.0526 176.4267 31 R 4.8481 7.0433 116.4746 54.4026 34.0749 174.5750 32 G 4.6658 8.9854 106.3630 44.7436 0.0000 172.0729 33 L 4.8250 8.4167 120.3131 54.3455 42.5446 176.4836 34 L 4.4544 8.6080 126.3933 53.9688 42.9517 175.8481 35 G 4.0934 8.3510 116.0753 45.6964 0.0000 173.1126 *36 H 4.3928 8.8300 115.8903 56.7005 28.7221 173.5586 37 S 4.8461 7.6238 116.4781 57.8711 63.6383 174.1211 38 D 4.3692 8.7652 118.3360 53.7978 39.5619 175.9340 39 A 3.4466 7.7702 121.8468 53.2442 16.7095 178.1992 40 D 4.6441 8.1858 121.6781 54.9845 40.9952 175.8441 41 V 4.0977 8.0108 129.6633 63.9605 31.5739 177.9535 42 L 3.8695 7.8169 120.4365 58.0649 42.0502 178.8669 43 L 4.0398 7.9611 118.4251 57.8333 41.3850 179.2675 44 H 4.2883 8.3441 116.1230 58.8301 28.7254 177.5726 45 A 4.0272 7.9379 122.4089 55.2950 18.2380 179.6929 46 I 3.6532 7.8354 118.1697 64.8388 37.2116 178.6239 47 T 3.7703 8.2222 116.8449 67.0111 68.2581 176.3882 48 D 4.6215 8.5957 120.6120 57.2556 40.8071 178.6702 49 A 4.0894 8.1974 121.4383 55.1171 18.4386 179.7650 50 L 3.8597 7.9512 117.5006 57.9701 41.6951 179.7251 51 F 4.5232 8.1723 117.9104 60.3818 38.8792 178.0210 52 G 3.5851 8.6200 105.6380 47.8141 0.0000 175.6496 53 A 4.1952 8.1623 123.4570 53.9073 18.5108 178.7584 54 A 2.9721 7.5952 115.6825 50.8578 19.4782 176.7914 55 A 3.6797 7.4402 119.0293 53.4912 16.5521 177.8926 56 L 4.6466 8.8425 117.6396 55.3520 43.5909 177.1464 57 G 3.9645 9.0716 107.9588 43.9128 0.0000 176.1530 58 D 4.8051 8.2938 129.5298 52.1304 42.5363 176.4714 59 I 3.8795 9.6501 116.9651 63.3308 35.3343 176.8342 60 G 4.1247 7.3205 107.0627 45.4871 0.0000 174.3289 61 R 4.2973 8.0363 121.0831 55.9308 32.1425 175.7542 62 H 4.2685 6.9584 110.6417 56.1808 29.9482 174.3341 63 F 5.1022 6.9093 116.9640 55.5998 41.4034 173.9056 *73 A 4.0236 8.3196 123.5355 52.6472 19.5078 177.2913 74 D 4.6680 8.2021 122.1057 52.8304 41.9817 177.7242 75 S 4.1444 8.9856 115.2513 61.5841 62.5038 177.3593 76 R 3.8659 7.9629 120.3763 59.0487 29.8179 178.6216 77 A 3.9365 8.7501 121.0097 55.2340 18.3680 179.7414 78 L 3.4818 7.7853 117.4816 57.5242 41.4861 179.5212 79 L 3.9428 8.2035 120.8125 58.0539 42.0062 179.2100 80 R 3.8745 8.1445 118.2296 59.2664 30.0134 178.6518 81 E 3.9969 8.4848 119.4314 59.2616 29.6270 178.2186 82 C 3.9756 8.6574 119.0075 62.6157 31.5634 175.4627 83 A 3.9320 8.1125 122.2938 55.0814 17.7938 179.5159 84 S 4.0381 8.0764 111.5867 61.8095 62.5536 176.7560 85 R 3.9991 8.1038 120.7537 59.0211 29.8144 179.2006 86 V 3.6412 8.0252 117.9874 66.1155 31.5020 178.0301 87 A 4.4174 8.0325 121.8229 54.6593 17.9750 179.1650 88 Q 3.9083 8.2747 117.3393 59.4127 29.2178 178.1771 89 A 4.3216 7.9383 119.2094 53.0655 18.7522 178.0813 90 G 3.7369 8.4060 106.6184 44.8654 0.0000 172.6167 91 F 5.2331 8.1764 117.7673 55.5215 41.4890 174.6243 92 A 4.8788 9.1254 124.3792 50.2458 21.6871 175.7357 93 I 4.2655 8.3344 122.4043 61.3534 37.6258 175.8357 94 R 4.5302 9.2571 127.2615 58.0442 30.9606 176.4344 95 N 5.1752 7.7780 113.8413 51.8189 40.8674 173.0790 96 V 4.8461 8.6963 119.6801 61.2446 34.9584 173.8138 97 D 5.5406 9.0662 126.6915 52.8753 44.8599 174.2780 98 S 5.1045 8.2065 114.7345 57.8845 67.1224 173.2425 99 T 4.9955 9.0799 117.2691 62.1114 72.6265 172.9356 100 I 4.6964 9.1444 127.5681 59.9400 39.5885 174.6917 101 I 4.9358 8.8476 128.3220 59.7376 39.0280 174.7496 102 A 4.7342 8.9682 129.4472 50.6187 22.1337 176.9006 103 Q 3.8570 8.9752 123.8656 58.6539 29.6150 175.8915 104 A 4.5732 7.3599 117.5131 50.1087 22.0607 174.0160 105 P 4.6122 0.0000 0.0000 61.1425 33.5518 175.5758 106 K 4.0673 8.4652 117.8291 57.0409 32.3109 177.5202 107 L 4.5136 8.4397 122.3709 55.4907 42.6997 178.4776 108 A 3.9681 8.0577 120.8173 55.0862 17.9747 177.7535 109 P 4.1974 0.0000 0.0000 64.8492 31.7001 177.3462 110 H 4.8001 8.0797 113.6550 55.3946 29.5205 176.3597 111 I 3.6810 7.4181 123.2958 64.7962 37.0751 177.9900 112 D 4.3901 8.0911 118.5717 56.9584 40.6321 178.6458 113 A 3.9868 7.9353 121.1928 55.2442 18.5081 179.0895 114 M 4.2693 7.9424 118.6298 58.0819 32.1371 179.0366 115 R 3.8708 8.1158 118.2380 59.2207 30.1874 178.2899 116 A 3.9845 8.1004 120.5643 55.2469 18.4044 179.2414 117 N 4.2339 8.2184 114.8723 56.6414 38.6551 177.7327 118 I 3.6735 7.8796 120.7673 64.3302 37.1339 178.3603 119 A 3.9841 8.1069 121.3800 54.9727 18.2965 179.6111 120 A 3.8986 7.9989 119.2006 55.6079 18.3465 179.6988 121 D 4.3523 8.0505 115.8610 56.7963 40.9487 178.0753 122 L 4.3503 7.7897 116.7473 53.2927 42.8941 175.5469 123 D 4.3659 7.7172 117.4080 55.6236 40.0529 172.9230 124 L 4.8622 7.9683 117.1015 51.7945 45.1564 175.5857 125 P 4.4848 0.0000 0.0000 62.4088 32.2861 177.2834 126 L 3.9701 8.6042 119.9230 58.1607 41.6290 178.7170 127 D 4.6031 8.0607 114.4097 54.2078 39.5769 176.3733 128 R 4.6378 8.1186 118.0435 56.0190 31.8093 175.0889 129 V 4.8820 7.8428 119.3060 61.0591 34.3046 174.4051 130 N 5.0843 9.0366 125.4694 51.8404 42.6378 172.9423 131 V 4.6121 8.3392 124.2416 59.9449 34.4011 174.4748 132 K 4.8162 8.9488 126.4327 54.4992 35.4250 174.8862 133 A 5.2668 8.5140 123.8607 50.2795 21.7928 175.7330 134 K 4.7543 9.1192 119.7006 54.9447 37.0471 176.3550 135 T 4.7741 8.3869 113.1348 59.9527 71.0913 173.6735 136 N 4.7169 8.6590 116.5163 52.6691 39.0379 174.1759 137 E 3.5600 8.4238 113.7673 57.2794 27.5644 174.8920 138 K 4.1271 8.1536 111.0894 56.4801 30.7734 175.5063 139 L 4.5269 7.7300 118.6070 53.8850 43.9125 178.4275 140 G 3.9889 8.4869 112.0201 45.2765 0.0000 173.1248 141 Y 4.3355 8.1352 115.8533 60.2304 37.9829 178.1406 142 L 4.3278 7.1240 120.5510 57.5578 41.4521 179.4587 143 G 3.6567 8.1664 105.5541 47.0515 0.0000 174.9608 144 R 4.5802 7.7582 117.6674 55.2946 30.3669 176.6700 145 G 3.9830 7.6750 106.2500 46.7257 0.0000 175.0688 146 E 4.2440 8.8398 121.4616 57.8488 29.9097 176.2731 147 G 4.5312 7.5902 103.6798 45.5607 0.0000 172.4153 148 I 4.9060 8.6178 119.9245 59.3761 40.8376 174.7828 149 E 5.0426 8.8008 126.7277 54.4956 32.4649 174.3356 150 A 5.2476 8.7774 125.7087 50.2820 22.9179 175.0149 151 Q 5.2473 9.2770 119.3573 54.2308 32.8108 174.6338 152 A 5.2483 8.9822 122.4280 50.4630 23.3015 174.9060 153 A 5.2256 9.4301 121.2679 50.0849 22.8697 175.1421 154 A 5.0414 8.9522 122.1841 50.0364 22.9389 174.5899 155 L 5.0801 8.9177 124.4589 53.4723 44.4041 175.7889 156 V 5.2152 8.9319 118.8873 59.6072 36.4043 174.7957 157 V 4.7976 8.8811 120.7604 60.2994 34.7519 175.3175 158 R 4.5338 8.6377 123.9276 55.7355 29.4845 175.8255 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.32 0.00 1.58 2.09 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 2 D 7.81 4.59 0.00 2.83 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 3 F 8.81 4.98 0.00 3.03 2.96 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 4 R 9.37 4.95 0.00 1.65 1.79 0.00 3.32 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 5 I 8.50 4.99 1.88 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 1.30 0.96 0.93 0.00 0.00 6 G 9.01 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 7 Q 8.69 5.18 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 8 G 9.43 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 0.00 0.00 0.00 9 Y 8.54 5.46 0.00 2.94 2.80 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 0.00 0.00 0.00 10 D 8.24 4.67 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.74 4.79 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 1.06 0.00 0.00 12 H 8.89 5.00 0.00 3.07 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.69 4.62 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 14 L 8.64 4.93 0.00 1.59 1.74 1.03 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 15 V 9.16 4.73 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 0.77 0.00 0.00 1.00 0.00 0.00 16 P 0.00 4.80 0.00 2.05 2.00 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 17 G 8.53 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 0.00 0.00 0.00 18 R 7.70 4.64 0.00 1.88 1.83 0.00 3.13 0.00 0.00 3.59 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 19 P 0.00 4.66 0.00 2.07 2.05 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 20 L 8.50 4.41 0.00 2.09 1.85 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.23 5.01 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.87 0.00 0.00 22 I 8.16 4.78 1.81 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 1.17 0.83 0.87 0.00 0.00 23 G 9.89 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 24 G 9.02 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 25 V 7.34 4.20 2.18 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 0.97 0.00 0.00 1.00 0.00 0.00 26 T 8.47 4.55 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 27 I 8.57 4.39 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.60 0.76 0.00 0.00 28 P 0.00 4.35 0.00 1.98 2.05 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 29 Y 8.22 4.82 0.00 2.76 2.94 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 30 E 7.85 3.94 0.00 1.92 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 1.60 1.96 0.00 31 R 7.04 4.85 0.00 1.83 2.04 0.00 3.23 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 32 G 8.99 4.67 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 33 L 8.42 4.82 0.00 1.50 1.58 0.94 0.98 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 34 L 8.61 4.45 0.00 1.64 1.59 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.35 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 0.00 0.00 0.00 0.00 *36 H 8.83 4.39 0.00 2.94 2.99 0.00 7.19 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 37 S 7.62 4.85 0.00 3.97 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 38 D 8.77 4.37 0.00 2.75 2.80 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 0.00 0.00 0.00 39 A 7.77 3.45 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 40 D 8.19 4.64 0.00 2.75 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.10 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 1.03 0.00 0.00 1.07 0.00 0.00 42 L 7.82 3.87 0.00 1.74 1.87 0.90 0.65 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 43 L 7.96 4.04 0.00 1.71 1.69 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.34 4.29 0.00 3.46 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.94 4.03 1.42 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 46 I 7.84 3.65 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 1.52 0.87 0.88 0.00 0.00 47 T 8.22 3.77 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 1.44 0.00 0.00 48 D 8.60 4.62 0.00 2.78 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 49 A 8.20 4.09 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 0.00 0.00 50 L 7.95 3.86 0.00 1.63 1.49 0.81 0.94 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 51 F 8.17 4.52 0.00 3.24 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 52 G 8.62 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.16 4.20 1.25 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 0.00 0.00 54 A 7.60 2.97 1.01 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 0.00 0.00 0.00 0.00 0.00 55 A 7.44 3.68 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 56 L 8.84 4.65 0.00 1.87 1.79 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.07 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 58 D 8.29 4.81 0.00 3.07 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 59 I 9.65 3.88 1.87 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 1.23 0.70 0.91 0.00 0.00 60 G 7.32 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 0.00 0.00 0.00 0.00 61 R 8.04 4.30 0.00 1.69 1.60 0.00 2.98 0.00 0.00 2.66 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 62 H 6.96 4.27 0.00 1.40 2.56 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 6.91 5.10 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *73 A 8.32 4.02 1.21 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 74 D 8.20 4.67 0.00 3.15 2.81 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 75 S 8.99 4.14 0.00 3.84 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 76 R 7.96 3.87 0.00 1.96 2.02 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 A 8.75 3.94 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 78 L 7.79 3.48 0.00 1.64 1.09 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.20 3.94 0.00 1.80 1.79 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.14 3.87 0.00 2.05 1.95 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 81 E 8.48 4.00 0.00 2.10 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 0.00 2.67 2.83 0.00 82 C 8.66 3.98 0.00 2.91 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 83 A 8.11 3.93 1.35 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 84 S 8.08 4.04 0.00 3.96 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 0.00 85 R 8.10 4.00 0.00 2.25 2.11 0.00 3.17 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 86 V 8.03 3.64 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 1.06 0.00 0.00 0.85 0.00 0.00 87 A 8.03 4.42 1.42 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 88 Q 8.27 3.91 0.00 2.25 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 89 A 7.94 4.32 1.69 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 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.41 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 91 F 8.18 5.23 0.00 3.16 2.94 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 92 A 9.13 4.88 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 93 I 8.33 4.27 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.92 0.00 0.00 94 R 9.26 4.53 0.00 1.92 2.07 0.00 3.48 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 95 N 7.78 5.18 0.00 2.84 2.88 0.00 0.00 5.56 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 96 V 8.70 4.85 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 0.93 0.00 0.00 0.92 0.00 0.00 97 D 9.07 5.54 0.00 2.78 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 98 S 8.21 5.10 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.08 5.00 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 1.21 0.00 0.00 100 I 9.14 4.70 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.87 0.00 0.00 101 I 8.85 4.94 1.86 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 1.15 1.02 0.91 0.00 0.00 102 A 8.97 4.73 1.17 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 0.00 0.00 103 Q 8.98 3.86 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 104 A 7.36 4.57 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 0.00 105 P 0.00 4.61 0.00 2.14 2.08 0.00 3.26 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 1.72 1.56 0.00 106 K 8.47 4.07 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.41 7.81 107 L 8.44 4.51 0.00 1.65 1.67 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.06 3.97 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 0.00 109 P 0.00 4.20 0.00 1.68 2.00 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 110 H 8.08 4.80 0.00 3.19 3.29 0.00 5.83 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 0.00 111 I 7.42 3.68 1.97 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 1.52 1.09 0.93 0.00 0.00 112 D 8.09 4.39 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.94 3.99 1.35 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 0.00 114 M 7.94 4.27 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.59 0.00 115 R 8.12 3.87 0.00 1.88 2.18 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 116 A 8.10 3.98 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 0.00 117 N 8.22 4.23 0.00 3.01 2.87 0.00 0.00 7.09 7.06 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 0.00 118 I 7.88 3.67 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 1.44 0.67 0.89 0.00 0.00 119 A 8.11 3.98 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 0.00 0.00 120 A 8.00 3.90 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 0.00 121 D 8.05 4.35 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.35 0.00 1.66 1.68 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.72 4.37 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 0.00 124 L 7.97 4.86 0.00 1.61 1.53 0.92 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 0.00 125 P 0.00 4.48 0.00 2.36 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 126 L 8.60 3.97 0.00 1.73 1.77 0.92 0.95 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 D 8.06 4.60 0.00 2.78 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 0.00 128 R 8.12 4.64 0.00 1.93 2.06 0.00 3.08 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 129 V 7.84 4.88 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 0.79 0.00 0.00 0.93 0.00 0.00 130 N 9.04 5.08 0.00 2.84 2.76 0.00 0.00 6.23 7.81 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 0.00 131 V 8.34 4.61 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 1.21 0.00 0.00 0.92 0.00 0.00 132 K 8.95 4.82 0.00 1.81 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.46 7.81 133 A 8.51 5.27 1.17 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 0.00 0.00 134 K 9.12 4.75 0.00 1.58 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.39 4.77 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 1.20 0.00 0.00 136 N 8.66 4.72 0.00 2.74 2.71 0.00 0.00 6.99 7.65 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 0.00 137 E 8.42 3.56 0.00 2.05 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 2.24 2.39 0.00 138 K 8.15 4.13 0.00 1.91 1.88 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.35 7.81 139 L 7.73 4.53 0.00 1.83 1.50 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.49 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 0.00 141 Y 8.14 4.34 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.12 4.33 0.00 1.51 1.67 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.17 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.76 4.58 0.00 1.89 2.01 0.00 3.30 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 145 G 7.68 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 0.00 0.00 0.00 146 E 8.84 4.24 0.00 2.30 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 2.37 2.32 0.00 147 G 7.59 4.53 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 0.00 0.00 0.00 148 I 8.62 4.91 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.24 0.94 0.00 0.00 149 E 8.80 5.04 0.00 2.08 1.79 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 2.18 2.13 0.00 150 A 8.78 5.25 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 0.00 151 Q 9.28 5.25 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 152 A 8.98 5.25 1.25 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 0.00 0.00 153 A 9.43 5.23 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 0.00 154 A 8.95 5.04 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 0.00 155 L 8.92 5.08 0.00 1.77 1.74 1.04 0.95 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 0.00 156 V 8.93 5.22 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 0.67 0.00 0.00 0.77 0.00 0.00 157 V 8.88 4.80 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.14 0.00 0.00 158 R 8.64 4.53 0.00 1.04 1.81 0.00 3.10 0.00 0.00 2.92 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 0.00 * Residues marked with a * may have inaccurate shift predictions.