NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.0334 8.2549 119.6247 54.9205 31.6787 174.9792 7 P 4.5748 0.0000 0.0000 62.7574 32.7134 173.8372 8 L 5.3095 9.9634 123.2048 53.0082 45.3827 177.5555 9 R 3.7067 8.7049 120.5313 59.5390 29.9926 178.7483 10 E 4.2792 8.1424 112.6194 58.1513 29.6076 177.0690 11 Q 4.2473 8.1932 118.2485 56.3014 28.8871 174.6157 12 Y 4.6080 7.9135 115.0578 56.1868 41.4308 175.1466 13 L 4.6619 8.4391 119.6446 55.1012 43.8358 176.6642 14 H 4.8976 7.2844 117.6230 54.2578 33.3901 171.9415 15 F 5.1309 8.5457 122.4511 55.8152 42.5744 174.0625 16 Q 4.6963 8.5708 122.7272 53.7898 31.9677 172.5600 17 P 4.8174 0.0000 0.0000 63.0753 32.9023 175.7205 18 I 4.5486 8.4918 121.9191 59.8444 41.1423 174.7980 19 S 4.9165 8.6426 121.8552 57.5098 65.0535 173.7661 20 T 4.8488 7.9597 111.9818 61.0475 71.2507 173.6541 21 R 5.0924 9.7088 120.2697 53.7468 33.1329 176.8842 22 W 2.9764 8.7171 130.2029 60.6874 30.4586 176.9850 23 H 4.4084 8.0163 113.6332 56.1447 29.5269 175.2056 24 D 4.3726 8.0553 120.0738 57.6852 40.8845 176.7765 25 N 4.7433 7.2650 115.4566 53.0696 39.2590 174.7526 26 D 4.6574 8.5667 122.5819 51.6603 41.9862 176.3537 27 I 3.5708 8.0394 117.8528 64.4758 37.6735 176.4986 28 Y 4.6376 7.9097 115.5739 57.8144 37.7933 176.3875 29 G 3.8757 8.6855 109.3163 45.2533 0.0000 172.8819 30 H 5.1595 7.4983 115.4933 53.1280 33.2732 173.0777 31 V 4.0326 8.8073 121.0391 63.2224 31.6450 175.6506 32 N 4.6247 9.1354 127.3864 53.7182 39.5236 175.3126 33 N 4.4077 8.6621 119.7358 54.5541 38.4709 177.5320 34 V 3.6979 8.0954 119.4560 66.2920 31.5520 177.8053 35 T 3.6843 7.7230 115.4073 66.7325 68.1358 175.8915 36 Y 3.3902 7.6461 118.4131 61.1371 37.2911 178.3974 37 Y 3.7339 7.6473 116.6803 60.5601 37.7650 178.3539 38 A 4.0421 7.6789 121.6201 54.9726 18.5219 179.5138 39 F 4.4665 7.9363 116.3148 60.8344 39.0168 177.5939 40 F 4.6261 8.0311 117.4220 61.2336 38.7572 177.6515 41 D 4.3943 8.3120 118.1189 57.6700 40.6029 179.0564 42 T 3.9281 8.4794 116.4464 66.4693 68.4525 176.6896 43 A 4.2012 8.6015 123.1942 55.2592 18.3765 179.9504 44 V 3.5017 8.0563 116.8049 66.2150 31.5326 178.1043 45 N 4.4879 8.5832 116.4305 56.2969 38.3036 177.5818 46 T 3.8812 8.1144 117.3876 66.7726 68.5964 175.6449 47 Y 4.0548 7.8448 120.7701 60.9334 38.7731 178.0595 48 L 3.9758 8.3948 119.9542 58.1854 41.5604 179.7984 49 I 3.7085 7.8350 118.5183 64.3767 37.1431 177.9816 50 E 4.2053 8.1515 117.8414 58.1098 29.5410 177.6315 51 R 4.4402 7.6122 114.0132 55.2280 32.7657 176.3678 52 G 3.5322 8.5795 107.5674 46.1493 0.0000 173.9921 53 G 4.1332 8.1867 108.8222 45.1307 0.0000 175.3651 54 L 4.0785 8.6288 124.8418 59.9106 40.7831 180.4731 55 D 4.5934 8.0962 121.0421 58.5027 39.5448 181.3568 56 I 4.1600 7.7710 123.0204 65.2031 37.0670 179.1736 57 Q 4.1553 8.1482 120.2182 59.2705 28.0508 179.3921 58 G 4.2068 8.3741 104.0194 44.4622 0.0000 174.6472 59 G 3.9991 7.7183 108.9757 45.5951 0.0000 174.4733 60 E 4.2038 8.1832 121.2594 57.9315 30.7648 176.7677 61 V 5.1022 7.6650 118.9748 60.8813 33.8990 175.1431 62 I 4.8354 8.9047 120.2666 59.1554 41.3408 174.1480 63 G 3.8846 8.7094 110.4979 44.7240 0.0000 172.8280 64 L 4.9168 8.6128 124.0848 52.4791 44.9062 175.9191 65 V 4.4731 8.4848 123.4690 63.1810 31.5968 175.8424 66 V 4.5250 8.5510 120.5561 61.5535 33.4567 175.6497 67 S 4.8208 7.8409 113.6489 57.8784 65.8570 173.7082 68 S 5.4123 8.5404 113.5948 58.2962 65.3976 173.7551 69 S 4.8984 9.3486 115.0811 58.9594 66.7525 172.6307 70 C 4.9707 8.5237 119.2330 58.3910 34.4101 172.3406 71 D 4.7515 9.0118 125.9958 52.5912 43.1085 174.7525 72 Y 4.3614 8.1199 119.8533 56.3789 39.7817 174.7288 73 F 5.0949 9.6140 122.8561 58.5407 41.2682 176.2567 74 A 4.7367 7.9109 118.6709 49.6707 22.0280 173.6847 75 P 4.7665 0.0000 0.0000 62.5333 32.9359 175.4580 76 V 4.8553 8.4486 119.0259 61.3516 35.3084 173.8972 77 A 5.2016 9.6232 125.9891 49.8987 22.9783 175.6545 78 F 4.6390 9.4816 122.5147 57.7199 39.8518 173.4660 79 P 4.1365 0.0000 0.0000 62.1502 31.5014 175.3756 80 Q 4.1120 8.3835 118.2767 57.3181 29.7901 175.5529 81 R 4.7749 8.4739 122.1738 54.7240 32.3173 175.0672 82 I 4.7146 8.2528 125.5648 59.8340 40.7935 174.8428 83 E 5.0128 8.8822 127.0439 54.5892 32.9947 174.4917 *85 G 3.7213 8.4082 104.1238 46.2421 0.0000 171.8734 86 L 5.5018 8.3759 123.5671 53.2314 46.0580 175.2366 87 R 5.0307 9.0883 120.5662 55.0759 33.6645 173.3586 88 V 4.1952 8.8897 119.4472 61.6216 32.8575 174.7538 89 A 4.4067 9.4198 134.2665 52.6211 18.5067 177.1620 90 R 4.5565 7.5961 112.5049 54.3230 32.9291 177.0963 91 L 4.7700 8.4776 124.3874 52.6885 43.5509 175.6733 92 G 4.1343 8.4917 118.6766 44.4477 0.0000 171.4818 93 N 4.4686 8.9349 115.5044 56.2497 38.7144 176.7745 94 S 5.0495 8.3280 110.1649 57.2011 64.4669 173.2029 95 S 5.3631 7.6950 114.7337 57.0856 66.8202 173.1884 96 V 4.7362 8.6270 119.5828 60.3317 35.1866 173.2180 97 Q 4.5902 8.9706 125.5736 54.7755 30.7748 173.7779 98 Y 4.9399 8.3537 124.8778 56.7898 40.3845 174.3718 99 E 5.0852 9.0203 122.3048 54.6271 32.5632 175.1772 100 L 5.2622 9.0538 123.4684 52.8987 45.9378 175.3925 101 A 4.9448 8.0152 121.7229 50.3257 22.5185 175.4317 102 L 4.9036 8.6575 120.8199 53.1154 44.2707 175.8073 103 F 5.2722 9.3215 121.3434 55.7784 43.0019 174.4151 104 L 4.9534 8.4787 120.8658 52.7693 43.7712 175.9947 105 E 3.9979 8.5633 121.0752 57.7103 29.7677 178.1225 106 G 3.9694 8.8467 110.9725 45.6855 0.0000 173.1001 107 Q 4.5658 7.5037 119.0029 54.5117 30.0555 176.3257 108 R 4.1264 8.6949 121.6915 58.6521 30.5814 176.9476 109 E 4.7588 7.9991 115.7843 54.4520 30.8873 175.7738 110 A 3.5313 8.5018 125.8055 53.1448 18.9775 177.7503 111 C 4.6558 9.0905 119.1527 62.2504 29.5525 173.6263 112 A 4.8137 7.8841 118.0635 50.5851 22.7032 174.9815 113 A 4.8838 8.4450 120.3731 51.1065 23.1195 175.9788 114 G 4.0412 8.4581 107.7815 46.7614 0.0000 172.1059 115 R 5.0773 8.5679 116.1769 55.8778 33.2323 174.1897 116 F 5.4633 8.5466 114.5325 56.1501 42.1011 172.7108 117 V 4.7700 9.0684 120.0182 61.5787 33.9167 173.9564 118 H 5.4990 8.6434 124.8546 54.4664 31.2350 173.9781 119 V 4.5980 8.4194 122.8742 61.1951 33.4134 174.7504 120 F 4.9483 8.9621 127.7393 57.5142 40.1792 175.1530 121 V 4.9632 8.8287 115.4924 59.2608 36.7186 174.2767 122 E 4.4064 9.3094 125.0544 56.5355 29.5901 177.5489 123 R 3.9892 9.0248 128.1746 59.7571 30.8461 178.5353 124 R 4.2622 8.1982 115.0629 57.7290 30.2133 176.9899 125 S 4.5021 7.3946 108.3961 56.6853 65.0495 175.0253 126 S 3.8737 8.5920 115.5195 59.1303 60.9807 171.2072 127 R 4.2625 7.7120 120.4202 55.0772 30.9315 174.4209 128 P 4.8525 0.0000 0.0000 63.6406 31.9279 175.9502 129 V 4.6722 8.8132 115.4647 58.8837 35.9105 174.9503 130 A 4.3188 8.7535 124.2099 52.5372 18.8669 177.6270 131 I 3.7066 8.3689 123.2551 60.5938 37.7259 174.7252 132 P 4.2432 0.0000 0.0000 62.7707 31.9646 176.5570 133 Q 3.9537 9.1541 124.8326 60.5309 28.6482 180.0654 134 E 3.9528 8.0756 118.3546 60.7739 29.8156 180.4835 135 L 4.6771 7.6464 121.8531 57.6735 42.2421 178.8261 136 R 3.8169 8.1922 119.0821 59.4415 29.9319 177.7568 137 D 4.3217 8.3375 117.7235 57.4591 40.9480 178.2504 138 A 4.0991 7.4884 120.1652 55.1115 18.5844 179.3713 139 L 4.2163 8.1044 117.3448 57.8982 41.7998 179.3695 140 A 3.9578 8.4874 120.9509 55.2052 18.0481 179.4882 141 A 4.0895 7.8394 117.7145 54.3996 18.6121 178.1646 142 L 4.4025 7.8734 116.7633 54.6096 41.9144 175.7478 143 Q 4.7950 8.0414 118.7436 53.6088 29.6841 176.1190 144 S 4.2557 8.6746 116.1557 58.7973 62.7761 174.1081 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 6 R 8.25 4.03 0.00 1.46 1.46 0.00 2.77 0.00 0.00 2.96 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 7 P 0.00 4.57 0.00 2.37 2.29 0.00 3.53 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 2.30 2.31 0.00 8 L 9.96 5.31 0.00 1.70 1.63 1.01 0.96 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 9 R 8.70 3.71 0.00 1.59 1.76 0.00 2.77 0.00 0.00 2.96 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 10 E 8.14 4.28 0.00 2.10 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 0.00 2.31 2.29 0.00 11 Q 8.19 4.25 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 12 Y 7.91 4.61 0.00 2.79 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 13 L 8.44 4.66 0.00 1.53 1.66 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.28 4.90 0.00 3.03 2.81 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.55 5.13 0.00 2.83 2.89 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 16 Q 8.57 4.70 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 17 P 0.00 4.82 0.00 2.08 2.02 0.00 3.78 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 1.98 1.99 0.00 18 I 8.49 4.55 1.00 0.00 0.00 0.61 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 0.79 0.44 0.00 0.00 19 S 8.64 4.92 0.00 3.90 3.84 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 0.00 0.00 0.00 20 T 7.96 4.85 4.59 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 1.46 0.00 0.00 21 R 9.71 5.09 0.00 2.05 1.90 0.00 3.23 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 22 W 8.72 2.98 0.00 2.68 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.02 4.41 0.00 3.05 3.24 0.00 5.99 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 24 D 8.06 4.37 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 7.27 4.74 0.00 2.33 2.53 0.00 0.00 6.97 7.94 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 26 D 8.57 4.66 0.00 2.64 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 27 I 8.04 3.57 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.15 0.00 0.00 28 Y 7.91 4.64 0.00 2.99 2.84 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 0.00 0.00 0.00 29 G 8.69 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 30 H 7.50 5.16 0.00 3.11 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.81 4.03 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 0.50 0.00 0.00 0.95 0.00 0.00 32 N 9.14 4.62 0.00 2.69 2.57 0.00 0.00 6.56 6.71 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 33 N 8.66 4.41 0.00 2.62 1.85 0.00 0.00 5.65 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 34 V 8.10 3.70 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 1.00 0.00 0.00 0.94 0.00 0.00 35 T 7.72 3.68 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 0.49 0.00 0.00 36 Y 7.65 3.39 0.00 2.42 2.26 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 37 Y 7.65 3.73 0.00 3.11 2.90 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 38 A 7.68 4.04 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 39 F 7.94 4.47 0.00 2.99 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 40 F 8.03 4.63 0.00 3.28 3.27 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 0.00 41 D 8.31 4.39 0.00 2.84 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 42 T 8.48 3.93 4.47 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 1.25 0.00 0.00 43 A 8.60 4.20 1.45 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 0.00 0.00 44 V 8.06 3.50 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 0.58 0.00 0.00 0.21 0.00 0.00 45 N 8.58 4.49 0.00 2.95 2.93 0.00 0.00 7.05 7.16 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 46 T 8.11 3.88 4.59 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 1.32 0.00 0.00 47 Y 7.84 4.05 0.00 2.97 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 48 L 8.39 3.98 0.00 1.97 1.83 1.31 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.84 3.71 2.08 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 1.55 0.61 0.92 0.00 0.00 50 E 8.15 4.21 0.00 1.85 1.95 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 2.33 2.49 0.00 51 R 7.61 4.44 0.00 1.25 1.32 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.42 0.00 52 G 8.58 3.53 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 53 G 8.19 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 0.00 0.00 0.00 0.00 54 L 8.63 4.08 0.00 1.67 1.69 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.10 4.59 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 56 I 7.77 4.16 2.01 0.00 0.00 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 1.46 0.74 1.00 0.00 0.00 57 Q 8.15 4.16 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 58 G 8.37 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 59 G 7.72 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 60 E 8.18 4.20 0.00 1.96 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 2.41 2.32 0.00 61 V 7.66 5.10 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 0.94 0.00 0.00 0.96 0.00 0.00 62 I 8.90 4.84 1.91 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 1.20 0.81 0.95 0.00 0.00 63 G 8.71 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 64 L 8.61 4.92 0.00 1.49 1.53 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.48 4.47 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.87 0.00 0.00 66 V 8.55 4.53 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 0.81 0.00 0.00 0.95 0.00 0.00 67 S 7.84 4.82 0.00 3.90 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 68 S 8.54 5.41 0.00 4.23 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 69 S 9.35 4.90 0.00 3.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.52 4.97 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 9.01 4.75 0.00 2.06 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 0.00 0.00 0.00 0.00 72 Y 8.12 4.36 0.00 2.50 2.54 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 73 F 9.61 5.09 0.00 2.98 2.98 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 74 A 7.91 4.74 1.27 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 0.00 0.00 0.00 75 P 0.00 4.77 0.00 1.78 1.92 0.00 3.72 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 1.90 1.80 0.00 76 V 8.45 4.86 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 1.10 0.00 0.00 1.04 0.00 0.00 77 A 9.62 5.20 1.27 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 0.00 0.00 0.00 78 F 9.48 4.64 0.00 3.12 2.95 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 79 P 0.00 4.14 0.00 1.69 0.49 0.00 3.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 80 Q 8.38 4.11 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 81 R 8.47 4.77 0.00 1.76 1.76 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 82 I 8.25 4.71 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 0.83 0.00 0.00 83 E 8.88 5.01 0.00 2.07 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 2.45 2.35 0.00 *85 G 8.41 3.72 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 0.00 0.00 0.00 86 L 8.38 5.50 0.00 1.60 1.47 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.09 5.03 0.00 1.95 1.91 0.00 2.60 0.00 0.00 2.85 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 88 V 8.89 4.20 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 0.89 0.00 0.00 0.95 0.00 0.00 89 A 9.42 4.41 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 90 R 7.60 4.56 0.00 1.50 1.79 0.00 3.19 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 1.54 1.17 0.00 91 L 8.48 4.77 0.00 1.48 1.62 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.49 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 0.00 0.00 0.00 0.00 93 N 8.93 4.47 0.00 2.78 2.90 0.00 0.00 6.65 7.57 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 94 S 8.33 5.05 0.00 3.89 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 95 S 7.70 5.36 0.00 3.94 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 96 V 8.63 4.74 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 0.41 0.00 0.00 0.55 0.00 0.00 97 Q 8.97 4.59 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 98 Y 8.35 4.94 0.00 2.30 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 99 E 9.02 5.09 0.00 1.95 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 2.17 2.34 0.00 100 L 9.05 5.26 0.00 0.79 1.26 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.02 4.94 0.71 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 0.00 102 L 8.66 4.90 0.00 1.63 1.58 1.13 0.91 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 0.00 103 F 9.32 5.27 0.00 2.99 2.92 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 0.00 0.00 0.00 104 L 8.48 4.95 0.00 1.78 1.62 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.56 4.00 0.00 1.97 1.90 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 2.31 2.32 0.00 106 G 8.85 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 0.00 107 Q 7.50 4.57 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 108 R 8.69 4.13 0.00 1.85 2.04 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 109 E 8.00 4.76 0.00 1.98 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 2.29 2.33 0.00 110 A 8.50 3.53 0.97 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 0.00 111 C 9.09 4.66 0.00 2.97 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 0.00 112 A 7.88 4.81 1.16 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 0.00 0.00 113 A 8.45 4.88 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 0.00 114 G 8.46 4.04 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 0.00 0.00 0.00 115 R 8.57 5.08 0.00 1.96 2.10 0.00 2.80 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 116 F 8.55 5.46 0.00 3.44 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 0.00 117 V 9.07 4.77 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 0.99 0.00 0.00 0.91 0.00 0.00 118 H 8.64 5.50 0.00 3.09 2.44 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.42 4.60 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 0.86 0.00 0.00 0.92 0.00 0.00 120 F 8.96 4.95 0.00 3.16 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 0.00 121 V 8.83 4.96 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 0.78 0.00 0.00 0.95 0.00 0.00 122 E 9.31 4.41 0.00 2.02 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 2.33 2.28 0.00 123 R 9.02 3.99 0.00 1.98 1.93 0.00 3.39 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 124 R 8.20 4.26 0.00 2.11 1.98 0.00 3.32 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 125 S 7.39 4.50 0.00 3.95 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 0.00 126 S 8.59 3.87 0.00 4.03 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 0.00 127 R 7.71 4.26 0.00 1.92 1.86 0.00 3.26 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.48 0.00 128 P 0.00 4.85 0.00 1.95 2.04 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 129 V 8.81 4.67 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 1.00 0.00 0.00 0.99 0.00 0.00 130 A 8.75 4.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.37 3.71 1.78 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.80 0.56 0.00 0.00 132 P 0.00 4.24 0.00 2.15 2.15 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 133 Q 9.15 3.95 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 134 E 8.08 3.95 0.00 2.01 1.94 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 2.31 1.93 0.00 135 L 7.65 4.68 0.00 1.68 1.52 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.19 3.82 0.00 1.81 2.01 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 137 D 8.34 4.32 0.00 2.82 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 0.00 138 A 7.49 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.10 4.22 0.00 1.90 1.75 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.49 3.96 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 0.00 141 A 7.84 4.09 1.45 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 0.00 0.00 142 L 7.87 4.40 0.00 1.75 1.55 -0.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.04 4.79 0.00 2.19 2.00 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 2.51 2.22 0.00 144 S 8.67 4.26 0.00 3.92 3.79 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 * Residues marked with a * may have inaccurate shift predictions.