NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3365 8.3449 119.1212 54.9697 29.0514 172.9330 2 V 4.3051 7.6747 115.4984 59.2794 32.6859 174.0736 3 Q 4.6703 9.8286 123.5379 55.2083 32.7082 172.7380 4 L 5.2077 8.4400 118.9559 52.9786 45.3856 175.8746 5 V 4.6524 8.6958 116.5205 59.6728 34.5937 175.0753 6 E 5.4335 9.0960 124.7150 54.7792 31.8413 175.0417 7 S 4.4531 8.1601 112.8540 58.1082 66.2924 175.9834 *9 G 3.8266 8.8112 108.6899 44.9892 0.0000 173.6937 10 G 3.7072 7.9215 107.0132 46.1791 0.0000 172.3233 11 N 4.7032 8.2274 120.1278 52.4269 42.7859 172.5255 12 L 4.8031 8.4652 124.1966 54.8092 42.8721 176.1440 13 V 4.6297 9.0323 118.8756 59.5151 36.2751 175.0983 14 Q 4.7489 8.4813 121.0306 54.5556 30.4115 173.9209 15 P 4.5166 0.0000 0.0000 64.7859 31.6263 176.9504 16 G 3.9434 9.8114 112.5053 45.1133 0.0000 173.6970 17 G 4.2402 7.8009 107.0211 45.6659 0.0000 172.6058 18 S 5.2134 8.2776 112.5996 57.0346 66.5580 173.4216 19 L 4.5538 8.6365 119.3750 53.4719 46.4574 174.5056 20 R 4.8474 8.4361 122.6076 54.5437 32.1996 174.7368 21 L 5.0421 8.6755 126.6516 53.0867 44.5179 175.6490 22 S 5.1860 9.0531 117.0788 57.0226 66.5521 172.6770 23 C 4.9350 8.9594 120.8207 55.2376 46.7074 171.5625 24 A 4.9794 9.1196 128.5057 50.0336 20.4092 176.0525 25 A 4.4678 8.3084 125.3380 51.5528 19.7853 176.8316 26 S 4.3153 8.4452 113.4878 57.7615 66.8172 175.2858 27 G 3.7456 8.7926 109.5518 46.0760 0.0000 172.8282 *29 F 4.6203 7.5079 112.7637 56.8354 39.0642 173.8906 30 T 4.4363 8.2657 115.0258 60.1198 68.0229 174.8259 31 F 4.6934 9.1815 132.6125 61.4318 39.5117 176.6302 32 G 3.7535 8.1673 107.8752 47.8721 0.0000 174.1025 33 S 3.9921 8.1073 113.8995 60.1926 62.6575 173.2482 *39 F 5.1117 7.7178 119.3835 58.5593 40.1715 175.4569 40 S 4.8494 8.7905 119.3626 58.9447 64.0503 173.8078 41 M 5.2674 8.8441 115.3193 55.2082 34.9936 173.9239 42 S 5.3760 8.9585 114.8581 56.6999 67.8034 172.9935 43 W 5.1413 9.2129 122.4604 55.2149 31.2926 175.4699 44 V 5.1064 9.4039 124.5581 61.0820 34.4575 174.4162 45 R 4.9252 9.3522 123.6749 54.5588 33.1893 174.7680 46 Q 4.6979 8.3941 121.1323 54.8608 32.5327 174.2914 47 A 4.7311 8.6545 128.9383 50.3866 20.6110 174.2251 48 P 4.4903 0.0000 0.0000 63.8335 31.6037 176.4404 49 G 3.9036 8.8533 110.8341 46.2455 0.0000 173.2092 50 G 3.9307 7.9908 108.8759 43.6916 0.0000 173.8418 51 G 4.0292 8.1088 108.6975 43.6831 0.0000 173.2514 52 L 4.5158 8.1625 119.1901 54.7187 42.7043 177.0278 53 E 4.6872 9.0626 123.5140 54.2557 32.8786 174.1982 54 W 4.5386 9.2285 135.0000 57.9391 31.1757 175.1686 55 V 4.0464 7.6923 124.5496 64.0615 34.0516 174.8070 56 A 4.2416 6.4769 118.7728 51.0889 22.6453 175.1394 57 G 4.6683 8.8590 105.4420 45.1669 0.0000 171.7883 58 L 5.4755 8.7724 122.4415 52.9562 45.3582 176.4068 59 S 4.7079 8.8777 120.9654 57.9375 64.0508 174.5284 60 A 4.1930 8.5801 122.9070 55.5141 19.0118 179.5533 61 R 3.7841 7.8211 114.1400 59.0801 30.3748 177.3222 *65 S 5.0734 7.4540 108.1127 58.7793 64.3585 173.3607 66 S 4.6823 8.1488 114.8809 58.0008 62.3942 175.0908 67 L 4.3878 7.6231 121.3181 54.7754 42.8615 177.8537 68 T 5.0322 8.4345 113.4548 60.3126 71.6985 173.0476 69 H 5.1103 8.5758 118.4948 54.6322 33.5688 172.0596 70 Y 5.1425 8.6428 116.7465 56.1121 42.0930 175.1341 71 A 4.5006 8.8124 124.5179 51.9522 19.7767 178.4042 72 D 4.3896 9.1679 120.3609 57.6263 41.0485 179.6232 73 S 4.2698 8.0976 111.5500 60.2179 63.3148 174.7447 74 V 3.6849 7.5717 118.8541 61.8905 33.0618 175.1643 75 K 3.9323 7.2871 120.0643 57.8516 32.2967 176.9426 76 G 3.9515 8.8066 114.3509 45.0629 0.0000 173.7340 77 R 4.5359 7.7043 116.6022 56.3441 33.4158 175.6864 78 F 5.4101 7.9679 115.6912 56.2710 41.2918 175.6284 79 T 4.7324 8.7560 115.9885 60.7604 70.7493 172.5429 80 I 5.0833 8.9069 129.9146 60.2176 38.9154 175.3335 81 S 4.9453 9.1328 119.6642 56.6677 66.6939 172.8632 82 R 5.0047 8.6678 117.5147 54.6058 32.1676 175.0923 83 D 4.7661 9.0426 121.0442 52.6226 43.0685 175.9974 84 N 4.3603 8.9331 124.6623 56.1665 39.0504 177.7475 85 A 4.0118 8.1842 119.9132 54.8320 18.5092 178.1562 86 K 4.2380 8.7464 112.7467 55.7700 33.1610 175.8544 87 N 4.1782 7.9222 117.2835 53.9699 37.6748 172.3538 88 S 5.1901 8.0976 110.8008 57.3082 67.7881 173.6685 89 V 4.7664 8.6658 119.0280 61.2895 34.9084 173.6706 90 Y 5.3420 9.1368 124.0010 56.1141 41.7722 174.6384 91 L 4.7422 8.8219 124.6582 53.1777 44.4318 174.9570 92 Q 4.3184 8.8541 129.6643 55.5909 30.4080 174.2075 93 M 4.1576 8.8395 126.9699 53.4628 34.0485 174.9283 94 N 5.0895 8.6790 120.8806 50.9537 42.0491 174.4946 95 S 3.9289 8.3129 113.3168 58.4401 60.6502 173.3327 96 L 4.3702 8.1173 120.0408 54.9771 42.5926 177.5300 97 R 4.9093 9.5868 121.9228 54.0162 32.8551 177.3490 98 V 3.8361 8.3921 119.0472 65.6747 31.3519 177.7160 99 E 4.2671 8.0844 115.7137 57.8278 29.4183 176.9308 100 D 4.7182 8.1115 118.4124 55.1646 41.3763 176.5551 101 T 4.2880 7.8814 117.0635 64.5267 68.8555 173.4233 102 A 4.4177 8.6966 126.4851 51.1483 23.7917 175.0007 103 V 4.2249 7.9334 120.0871 62.8625 32.9245 174.4124 104 Y 4.9854 9.1903 126.3745 56.7230 40.0053 174.2332 105 Y 5.5639 9.5316 122.6429 56.5192 40.9215 172.4646 106 C 4.7845 8.8761 116.8080 53.8057 44.3458 172.3061 107 A 4.6933 8.0516 120.8457 50.4340 22.7805 175.2213 108 R 4.4572 8.5270 122.1180 55.7532 31.4722 175.7656 109 R 4.6891 8.5624 126.0769 55.1902 31.0234 176.6767 110 S 4.2994 7.7796 120.4330 58.7310 63.3922 175.4735 *111 Y 4.0809 9.0468 124.2205 63.1506 36.3585 179.6481 112 D 4.3203 7.8785 122.4367 58.3170 39.6687 180.6252 113 S 4.7944 8.0804 115.6983 60.3131 62.5569 175.7110 114 S 4.7132 7.7513 116.4877 59.3244 63.9186 174.2252 115 G 3.8798 7.7550 111.6150 44.4032 0.0000 173.8613 116 Y 4.1872 8.0899 115.2796 60.7196 38.2508 177.7561 *129 W 5.6915 7.4355 117.9977 56.2999 31.0612 176.8186 130 G 4.2069 8.6082 110.6757 48.2659 0.0000 176.0009 131 H 4.0919 8.2682 114.2031 58.3082 28.6992 176.7312 132 F 4.2868 7.6464 118.2978 60.7062 38.7670 176.3289 133 Y 4.3358 8.5628 116.5708 61.0785 38.0365 176.0203 134 S 3.9911 8.1047 114.3115 57.7063 61.6413 172.6213 135 Y 4.9727 8.8174 123.1779 55.7965 41.0449 173.4203 136 M 4.9080 8.7879 119.5395 54.1789 33.4459 175.4588 137 D 4.7158 9.3330 124.5305 56.2395 42.5748 176.6566 138 V 4.6256 7.3702 117.5395 60.6593 34.4807 173.7929 139 W 4.9315 8.8112 127.0033 54.5338 31.6528 175.8355 140 G 4.0951 9.3205 112.2311 45.9734 0.0000 173.6269 141 Q 4.4464 8.9077 117.0577 56.2503 29.4065 177.0423 142 G 4.0117 9.0000 105.7690 46.1130 0.0000 172.9364 143 T 4.7270 8.3731 110.5348 59.4639 72.1142 172.3929 144 L 4.8515 8.5130 126.1790 54.1426 44.0302 174.9212 145 V 4.6358 9.2389 127.2831 61.7132 33.6008 174.3326 146 T 4.8424 8.6261 125.4152 61.8607 70.9005 173.5512 147 V 4.9065 8.4286 127.8341 61.4226 33.5367 175.7014 148 S 4.2993 8.6871 122.4912 58.9646 62.5080 174.6102 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 Q 8.34 4.34 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 2 V 7.67 4.31 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 0.85 0.00 0.00 0.77 0.00 0.00 3 Q 9.83 4.67 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 4 L 8.44 5.21 0.00 1.50 1.44 0.73 0.11 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 5 V 8.70 4.65 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 0.74 0.00 0.00 0.93 0.00 0.00 6 E 9.10 5.43 0.00 2.11 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 2.37 2.14 0.00 7 S 8.16 4.45 0.00 3.96 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 *9 G 8.81 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 0.00 0.00 0.00 10 G 7.92 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 11 N 8.23 4.70 0.00 2.74 2.59 0.00 0.00 6.82 6.66 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 12 L 8.47 4.80 0.00 1.68 1.55 0.92 0.85 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 13 V 9.03 4.63 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 14 Q 8.48 4.75 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 15 P 0.00 4.52 0.00 2.03 2.03 0.00 3.67 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 2.04 2.12 0.00 16 G 9.81 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 17 G 7.80 4.24 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 0.00 18 S 8.28 5.21 0.00 3.99 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 19 L 8.64 4.55 0.00 1.34 1.30 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.44 4.85 0.00 1.68 1.72 0.00 3.07 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 21 L 8.68 5.04 0.00 1.18 1.56 0.45 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.05 5.19 0.00 3.88 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 0.00 23 C 8.96 4.93 0.00 2.96 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 24 A 9.12 4.98 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 25 A 8.31 4.47 0.17 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 26 S 8.45 4.32 0.00 3.82 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 27 G 8.79 3.75 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 0.00 0.00 0.00 *29 F 7.51 4.62 0.00 3.24 3.13 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 30 T 8.27 4.44 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 1.29 0.00 0.00 31 F 9.18 4.69 0.00 2.90 2.91 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 32 G 8.17 3.75 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 0.00 0.00 0.00 33 S 8.11 3.99 0.00 3.83 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 *39 F 7.72 5.11 0.00 3.31 3.24 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 40 S 8.79 4.85 0.00 3.42 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 41 M 8.84 5.27 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 42 S 8.96 5.38 0.00 3.76 4.03 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 43 W 9.21 5.14 0.00 3.21 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 44 V 9.40 5.11 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 1.12 0.00 0.00 45 R 9.35 4.93 0.00 0.77 1.75 0.00 2.79 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 46 Q 8.39 4.70 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 47 A 8.65 4.73 1.26 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 0.00 0.00 48 P 0.00 4.49 0.00 2.18 2.10 0.00 3.67 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 2.00 2.09 0.00 49 G 8.85 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 0.00 0.00 0.00 50 G 7.99 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 51 G 8.11 4.03 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 0.00 0.00 0.00 52 L 8.16 4.52 0.00 1.61 1.77 0.99 0.69 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 53 E 9.06 4.69 0.00 2.09 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 2.28 2.34 0.00 54 W 9.23 4.54 0.00 3.42 3.21 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 55 V 7.69 4.05 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 1.14 0.00 0.00 0.95 0.00 0.00 56 A 6.48 4.24 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 57 G 8.86 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 58 L 8.77 5.48 0.00 1.71 1.42 0.86 0.83 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 59 S 8.88 4.71 0.00 3.90 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 60 A 8.58 4.19 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 61 R 7.82 3.78 0.00 1.78 1.93 0.00 2.85 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 *65 S 7.45 5.07 0.00 4.01 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 66 S 8.15 4.68 0.00 3.88 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 67 L 7.62 4.39 0.00 1.60 1.56 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.43 5.03 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 1.25 0.00 0.00 69 H 8.58 5.11 0.00 3.33 3.32 0.00 5.56 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 70 Y 8.64 5.14 0.00 2.85 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 71 A 8.81 4.50 1.34 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 0.00 0.00 72 D 9.17 4.39 0.00 2.83 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 73 S 8.10 4.27 0.00 3.93 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 74 V 7.57 3.68 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 0.51 0.00 0.00 0.09 0.00 0.00 75 K 7.29 3.93 0.00 2.05 1.69 0.00 1.99 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.45 7.81 76 G 8.81 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 77 R 7.70 4.54 0.00 1.82 2.24 0.00 3.05 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 78 F 7.97 5.41 0.00 2.59 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 79 T 8.76 4.73 4.19 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 1.22 0.00 0.00 80 I 8.91 5.08 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 1.12 0.00 0.00 81 S 9.13 4.95 0.00 3.91 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 82 R 8.67 5.00 0.00 1.69 1.88 0.00 2.93 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 83 D 9.04 4.77 0.00 3.03 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 84 N 8.93 4.36 0.00 2.84 2.87 0.00 0.00 6.93 7.83 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 85 A 8.18 4.01 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 86 K 8.75 4.24 0.00 1.93 1.95 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.56 7.81 87 N 7.92 4.18 0.00 2.91 2.75 0.00 0.00 6.61 8.46 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 88 S 8.10 5.19 0.00 3.85 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 89 V 8.67 4.77 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 1.12 0.00 0.00 0.31 0.00 0.00 90 Y 9.14 5.34 0.00 2.93 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 91 L 8.82 4.74 0.00 0.27 0.31 0.59 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.85 4.32 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 93 M 8.84 4.16 0.00 0.75 1.41 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 0.00 94 N 8.68 5.09 0.00 2.70 2.66 0.00 0.00 7.25 7.10 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 95 S 8.31 3.93 0.00 3.97 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 96 L 8.12 4.37 0.00 1.80 1.60 0.78 1.15 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 97 R 9.59 4.91 0.00 1.93 1.99 0.00 3.28 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 98 V 8.39 3.84 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 1.15 0.00 0.00 0.94 0.00 0.00 99 E 8.08 4.27 0.00 2.00 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 2.33 2.41 0.00 100 D 8.11 4.72 0.00 2.94 3.02 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 0.00 101 T 7.88 4.29 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 1.29 0.00 0.00 102 A 8.70 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.93 4.22 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 0.42 0.00 0.00 0.89 0.00 0.00 104 Y 9.19 4.99 0.00 3.04 3.16 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 0.00 105 Y 9.53 5.56 0.00 3.34 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 0.00 106 C 8.88 4.78 0.00 1.90 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 0.00 107 A 8.05 4.69 -0.03 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 0.00 0.00 108 R 8.53 4.46 0.00 1.59 1.41 0.00 2.49 0.00 0.00 2.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.07 0.00 109 R 8.56 4.69 0.00 1.87 1.76 0.00 3.22 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 110 S 7.78 4.30 0.00 3.61 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 *111 Y 9.05 4.08 0.00 2.34 2.36 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 0.00 112 D 7.88 4.32 0.00 2.67 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 0.00 113 S 8.08 4.79 0.00 3.91 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 0.00 114 S 7.75 4.71 0.00 3.83 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 0.00 115 G 7.76 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 0.00 116 Y 8.09 4.19 0.00 2.95 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 *129 W 7.44 5.69 0.00 3.83 3.44 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 0.00 130 G 8.61 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 H 8.27 4.09 0.00 3.03 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 7.65 4.29 0.00 2.76 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 0.00 133 Y 8.56 4.34 0.00 3.10 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 0.00 134 S 8.10 3.99 0.00 4.02 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 0.00 135 Y 8.82 4.97 0.00 3.25 3.11 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 0.00 136 M 8.79 4.91 0.00 1.32 2.09 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 137 D 9.33 4.72 0.00 2.48 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.37 4.63 1.68 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 0.95 0.00 0.00 0.49 0.00 0.00 139 W 8.81 4.93 0.00 3.08 3.04 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 0.00 0.00 0.00 0.00 140 G 9.32 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 0.00 141 Q 8.91 4.45 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 142 G 9.00 4.01 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 0.00 143 T 8.37 4.73 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 1.27 0.00 0.00 144 L 8.51 4.85 0.00 1.77 1.60 0.94 0.91 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 0.00 145 V 9.24 4.64 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.74 0.00 0.00 146 T 8.63 4.84 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 1.23 0.00 0.00 147 V 8.43 4.91 2.20 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 1.02 0.00 0.00 0.96 0.00 0.00 148 S 8.69 4.30 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.