NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4029 8.2893 120.3486 54.2834 34.4478 174.6834 5 P 4.4857 0.0000 0.0000 61.2203 33.3412 174.0677 6 G 3.8306 8.6408 111.6143 47.3063 0.0000 174.3853 7 T 5.2829 7.4947 107.6882 59.3803 72.4210 172.7161 8 K 4.7652 8.7405 120.4359 55.1824 36.1523 175.0280 9 Q 4.9696 8.5541 120.0146 55.4476 30.1323 175.5149 10 V 4.6018 8.5892 114.8276 59.8953 36.9839 173.9602 11 N 4.9831 8.7114 120.3917 52.9470 39.5442 176.3550 12 V 3.6563 8.7340 123.5033 66.2015 31.6264 178.4381 13 G 3.7711 7.9754 107.1839 47.8184 0.0000 174.0009 14 S 4.5147 7.9767 113.1111 58.3224 63.7708 174.6829 15 L 4.4343 7.7640 122.0623 54.8107 42.3090 176.4481 16 K 4.6871 8.5320 120.3932 54.0748 35.7432 176.6068 17 V 3.7613 8.1043 114.5231 63.0542 31.8895 177.1687 18 G 3.7957 9.4571 112.3806 45.3571 0.0000 173.5313 19 Q 4.0829 7.4928 118.6828 55.0019 31.1812 173.8623 20 Y 5.6022 8.0106 117.4848 56.6886 40.2964 175.9252 21 V 4.6705 8.9873 121.6684 60.6377 35.7222 173.4247 22 M 4.9446 8.8305 122.0273 54.2288 33.3611 176.1208 23 I 4.3466 8.5867 124.1875 60.4571 40.2102 175.3760 24 D 4.4183 9.7705 126.6282 55.4267 38.1973 175.1157 25 G 3.9134 8.3945 105.4491 45.3660 0.0000 173.7315 26 V 4.4655 7.5832 121.1255 60.3125 33.7351 173.0060 27 P 4.9330 0.0000 0.0000 63.0701 32.4959 175.0385 28 C 5.3423 9.5530 121.3988 57.8074 32.9567 172.1945 29 E 5.2047 8.8898 121.8353 54.7054 31.4712 175.0181 30 I 4.4919 9.1736 128.8361 61.6349 37.7256 176.7715 31 V 3.9340 8.6061 119.6272 61.5452 33.5536 175.8134 32 D 4.7806 7.6856 119.6469 53.0351 45.4809 174.3418 33 I 5.0346 8.2341 122.4587 59.7714 41.1161 174.5575 34 S 4.7073 9.0703 123.2144 56.6449 65.4948 173.1681 35 V 4.9121 8.4658 124.7774 61.0109 33.7871 174.7389 36 S 4.7809 9.0695 121.2025 56.3789 66.8049 172.5477 37 K 4.9027 8.6521 122.9952 54.0874 34.0655 173.2790 38 P 4.4656 0.0000 0.0000 62.2483 32.3445 177.0754 39 G 3.8372 8.5187 113.0194 45.4311 0.0000 173.3674 40 K 4.2386 8.1607 118.4809 54.2028 30.9288 174.4423 *43 G 3.6519 7.8115 108.1913 44.4398 0.0000 170.4018 44 A 4.4394 8.3188 125.3540 52.0993 20.0447 176.2352 45 K 5.1273 8.9946 117.7182 54.5853 36.6761 175.4725 46 A 5.1905 8.9168 124.8127 50.0619 22.5888 174.9216 47 R 4.7415 8.7705 121.0758 54.3952 32.7940 174.6549 48 V 4.5728 8.4385 126.4042 60.8675 34.7238 174.0711 49 V 4.6704 8.5566 127.6392 61.1580 33.6277 174.5368 50 G 4.6392 9.3072 114.7430 44.4525 0.0000 171.1027 51 I 5.0514 8.4159 121.0136 58.6506 40.6246 175.6000 52 G 4.2368 8.7784 113.7494 46.4476 0.0000 173.6977 53 I 3.9281 8.2483 123.8422 62.5416 37.4734 177.0160 54 F 4.9933 7.9608 115.9482 57.0901 40.9677 174.9078 55 E 4.7776 7.7204 117.4820 54.2963 32.3477 175.1273 56 K 4.5000 8.4636 120.6637 56.1066 30.5614 176.2318 57 V 4.6031 7.7525 121.6131 59.6859 35.3635 173.7054 58 K 4.9640 8.7119 123.7378 54.7940 34.0516 175.0473 59 K 4.9868 8.9205 126.2636 54.9151 36.4160 174.7025 60 E 5.3868 8.5415 117.2691 55.8861 32.1256 174.1812 61 F 5.1113 8.9276 115.7465 55.7361 42.1384 173.0205 62 V 4.9119 8.4168 118.4121 61.2413 34.0053 174.3273 63 A 4.7830 9.1557 127.7496 50.1599 23.0470 174.1006 64 P 4.6882 0.0000 0.0000 63.0164 32.1849 177.8450 65 T 4.1360 8.6029 110.6411 63.4804 69.0705 176.3255 66 S 4.4438 7.8781 115.8218 59.2313 64.1315 174.1789 67 S 4.4527 7.6038 116.9775 58.4884 64.2019 173.0864 68 K 5.2576 8.4453 119.3171 54.9316 34.0697 176.3566 69 V 4.5240 9.1107 122.2663 60.1568 35.4833 173.9667 70 E 4.8971 8.5533 120.7391 55.5112 31.6349 175.3368 71 V 4.8302 8.5134 122.9820 60.2693 34.7504 172.9422 72 P 4.7888 0.0000 0.0000 62.7730 32.3814 175.7313 73 I 4.1540 8.1337 123.9830 60.9252 37.7340 175.2881 74 I 4.3716 8.3616 128.4837 60.0137 38.7502 174.8710 75 D 4.6076 8.9148 127.8099 52.8694 42.2263 174.9759 76 R 4.5781 8.3993 127.5275 55.4109 31.0273 175.3520 77 R 4.7049 8.7944 124.7118 54.2494 35.0879 174.1640 78 K 5.1516 8.4234 117.8145 55.0470 36.4279 175.9574 79 G 4.6719 9.0635 109.5850 45.2922 0.0000 170.5781 80 Q 5.1696 8.7565 121.0418 53.7406 31.8870 174.7776 81 V 4.0331 9.1027 127.2201 63.3696 31.8933 176.0867 82 L 4.7048 8.8770 127.9233 55.9651 43.6323 176.7842 83 A 4.5267 7.5345 117.3763 50.8693 22.6540 175.6468 84 I 4.3907 8.4020 121.6116 60.1018 39.0997 175.8836 85 M 4.2995 8.6141 129.5486 54.0112 32.1248 178.9727 86 G 3.8736 8.7346 115.7069 46.4551 0.0000 172.1057 87 D 4.5537 9.2634 122.2586 55.7725 41.8354 177.8914 88 M 4.9909 7.9444 118.2096 53.6178 34.5603 175.5758 89 V 4.7913 8.9230 121.6399 59.9246 34.7543 174.1471 90 Q 4.8690 8.9721 126.4637 55.0828 30.3602 174.4027 91 I 4.9833 8.7425 119.7088 59.2011 41.7631 173.7652 92 M 4.8909 8.6811 123.2984 53.4261 34.4958 174.4781 93 D 4.8968 8.9035 127.1579 54.4295 42.3705 176.5451 94 L 4.1319 8.8291 124.8632 55.2764 41.8332 176.7887 95 Q 4.5738 8.3742 119.7004 57.5446 30.8171 176.4132 96 T 4.2825 8.1504 105.6255 61.7706 69.5927 174.8373 97 Y 3.2478 7.9103 117.9681 58.7577 35.8974 168.9600 98 E 4.7141 7.9144 118.9630 55.6302 31.6133 175.3209 99 T 5.1406 8.3003 112.0795 60.1325 71.2594 173.4370 100 L 4.6231 8.4403 122.6405 54.3542 44.4625 173.9706 101 E 4.9802 8.4995 121.1381 54.6572 31.3074 174.9249 102 L 4.9880 8.9230 126.1828 51.9264 46.1965 174.3982 103 P 4.6698 0.0000 0.0000 62.9667 32.4634 175.7798 104 I 4.1685 8.0205 122.3921 59.8315 38.1325 174.0842 105 P 4.0701 0.0000 0.0000 62.6785 31.5012 176.5579 106 E 3.9805 9.0444 124.8224 58.9675 29.8771 177.4350 107 G 4.1186 7.5410 104.7000 43.2602 0.0000 171.0364 108 I 4.5572 7.3939 121.2247 58.9628 41.4673 176.9911 109 E 4.2427 8.4018 124.5224 55.9867 29.9288 177.2522 110 G 3.6908 8.7338 111.2281 45.4778 0.0000 172.3361 111 L 4.6796 8.1022 127.8687 52.9909 44.0777 175.4294 112 E 4.7335 8.4566 122.3610 54.3942 33.4427 172.7253 113 P 4.4107 0.0000 0.0000 64.5593 31.8429 176.5369 114 G 4.0178 9.2900 111.2247 45.2861 0.0000 174.2544 115 G 3.8990 7.7789 106.7571 46.1998 0.0000 172.6071 116 E 5.3273 8.6174 119.7912 54.6476 32.5872 175.6087 117 V 5.0782 8.6368 114.8957 59.6891 36.9311 173.7268 118 E 5.3020 9.2006 122.3479 54.7675 32.3539 174.2346 119 Y 5.5440 9.0013 123.8828 55.3738 42.3293 173.8565 120 I 5.0308 9.2330 113.1023 59.1023 41.5421 173.6779 121 E 4.8851 8.8535 123.8287 54.4175 32.8708 174.6932 122 A 4.5558 9.0609 127.9752 51.3115 22.9506 176.8284 123 V 3.3558 9.4086 117.8712 62.5499 29.2252 174.4317 124 G 3.8691 8.3807 104.7163 45.4631 0.0000 173.1137 125 Q 4.5441 7.3986 118.2565 53.9271 32.0019 174.2467 126 Y 5.9610 8.2730 118.0425 55.4689 42.0570 175.0951 127 K 4.7165 8.6194 118.5451 56.2246 35.9862 174.6611 128 I 4.5137 8.6679 125.4262 61.6172 37.8839 174.9289 129 T 4.5821 8.7312 116.0150 62.9413 69.9744 174.8386 130 R 4.7459 7.7203 117.3739 53.7687 33.9032 173.4265 131 V 4.3410 8.2907 119.4598 61.8762 31.6320 175.2560 132 I 3.9261 8.6440 129.6498 61.5930 38.6079 176.5028 133 G 4.0691 8.3375 115.7994 45.8010 0.0000 172.9920 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 4 M 8.29 4.40 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 5 P 0.00 4.49 0.00 2.29 2.03 0.00 3.80 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 1.94 2.02 0.00 6 G 8.64 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 7 T 7.49 5.28 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 1.21 0.00 0.00 8 K 8.74 4.77 0.00 1.83 1.91 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.39 7.81 9 Q 8.55 4.97 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 10 V 8.59 4.60 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 0.78 0.00 0.00 0.96 0.00 0.00 11 N 8.71 4.98 0.00 2.84 2.75 0.00 0.00 6.47 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 12 V 8.73 3.66 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.16 0.00 0.00 13 G 7.98 3.77 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 0.00 0.00 0.00 14 S 7.98 4.51 0.00 3.97 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 15 L 7.76 4.43 0.00 1.68 1.65 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.53 4.69 0.00 1.71 1.61 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.47 7.81 17 V 8.10 3.76 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 0.64 0.00 0.00 0.89 0.00 0.00 18 G 9.46 3.80 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 0.00 0.00 0.00 19 Q 7.49 4.08 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 20 Y 8.01 5.60 0.00 2.88 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 21 V 8.99 4.67 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 0.94 0.00 0.00 1.11 0.00 0.00 22 M 8.83 4.94 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 23 I 8.59 4.35 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 1.04 0.00 0.00 24 D 9.77 4.42 0.00 2.81 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 25 G 8.39 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 0.00 0.00 0.00 26 V 7.58 4.47 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 1.11 0.00 0.00 1.02 0.00 0.00 27 P 0.00 4.93 0.00 2.23 2.21 0.00 3.56 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 28 C 9.55 5.34 0.00 2.88 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 29 E 8.89 5.20 0.00 2.29 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 30 I 9.17 4.49 1.83 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 1.26 0.95 0.94 0.00 0.00 31 V 8.61 3.93 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 0.74 0.00 0.00 0.97 0.00 0.00 32 D 7.69 4.78 0.00 2.51 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 33 I 8.23 5.03 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.84 0.00 0.00 34 S 9.07 4.71 0.00 3.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.47 4.91 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 0.82 0.00 0.00 0.90 0.00 0.00 36 S 9.07 4.78 0.00 3.86 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 37 K 8.65 4.90 0.00 1.74 1.71 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.39 7.81 38 P 0.00 4.47 0.00 2.21 2.04 0.00 3.97 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 39 G 8.52 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 0.00 0.00 0.00 40 K 8.16 4.24 0.00 1.70 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.40 7.81 *43 G 7.81 3.65 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 0.00 0.00 0.00 44 A 8.32 4.44 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 45 K 8.99 5.13 0.00 1.67 1.64 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 46 A 8.92 5.19 1.14 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 0.00 0.00 47 R 8.77 4.74 0.00 1.78 1.68 0.00 2.99 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 48 V 8.44 4.57 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.48 0.00 0.00 49 V 8.56 4.67 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 0.89 0.00 0.00 0.88 0.00 0.00 50 G 9.31 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.42 5.05 1.89 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 1.17 0.74 0.98 0.00 0.00 52 G 8.78 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 53 I 8.25 3.93 1.22 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.41 -0.27 0.00 0.00 54 F 7.96 4.99 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 55 E 7.72 4.78 0.00 2.12 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 2.35 2.37 0.00 56 K 8.46 4.50 0.00 1.79 1.85 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 57 V 7.75 4.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 58 K 8.71 4.96 0.00 1.76 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.38 7.81 59 K 8.92 4.99 0.00 1.73 1.72 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.53 7.81 60 E 8.54 5.39 0.00 2.01 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 2.20 2.30 0.00 61 F 8.93 5.11 0.00 3.02 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 62 V 8.42 4.91 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 0.87 0.00 0.00 0.92 0.00 0.00 63 A 9.16 4.78 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.69 0.00 2.21 2.01 0.00 3.65 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 2.14 2.11 0.00 65 T 8.60 4.14 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 1.18 0.00 0.00 66 S 7.88 4.44 0.00 4.00 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 67 S 7.60 4.45 0.00 3.90 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 68 K 8.45 5.26 0.00 1.64 1.75 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.35 7.81 69 V 9.11 4.52 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 0.83 0.00 0.00 0.71 0.00 0.00 70 E 8.55 4.90 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 71 V 8.51 4.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.02 0.00 0.00 72 P 0.00 4.79 0.00 2.12 2.05 0.00 4.05 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 73 I 8.13 4.15 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 0.57 0.91 0.00 0.00 74 I 8.36 4.37 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.90 0.00 0.00 75 D 8.91 4.61 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.40 4.58 0.00 1.83 1.78 0.00 3.23 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 77 R 8.79 4.70 0.00 0.67 1.51 0.00 3.32 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.00 78 K 8.42 5.15 0.00 1.65 1.76 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.36 7.81 79 G 9.06 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 80 Q 8.76 5.17 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 81 V 9.10 4.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 82 L 8.88 4.70 0.00 1.59 1.65 0.92 0.70 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 83 A 7.53 4.53 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 84 I 8.40 4.39 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 1.33 0.70 0.90 0.00 0.00 85 M 8.61 4.30 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 86 G 8.73 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 87 D 9.26 4.55 0.00 2.73 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 88 M 7.94 4.99 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 89 V 8.92 4.79 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 0.82 0.00 0.00 0.94 0.00 0.00 90 Q 8.97 4.87 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 91 I 8.74 4.98 1.82 0.00 0.00 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 0.81 0.39 0.78 0.00 0.00 92 M 8.68 4.89 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 93 D 8.90 4.90 0.00 2.95 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.83 4.13 0.00 1.69 1.70 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.37 4.57 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 96 T 8.15 4.28 4.62 0.00 0.00 0.00 0.00 0.00 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 97 Y 7.91 3.25 0.00 3.21 3.22 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 98 E 7.91 4.71 0.00 1.99 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 2.30 2.29 0.00 99 T 8.30 5.14 4.17 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 1.17 0.00 0.00 100 L 8.44 4.62 0.00 1.40 1.51 0.33 0.63 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 0.00 101 E 8.50 4.98 0.00 1.90 1.77 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 2.14 2.25 0.00 102 L 8.92 4.99 0.00 1.44 1.44 0.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.67 0.00 2.09 2.06 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 104 I 8.02 4.17 2.04 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 1.22 0.56 0.92 0.00 0.00 105 P 0.00 4.07 0.00 2.19 2.05 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 106 E 9.04 3.98 0.00 1.91 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 0.00 2.32 2.43 0.00 107 G 7.54 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 0.00 108 I 7.39 4.56 2.05 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 1.49 0.86 0.92 0.00 0.00 109 E 8.40 4.24 0.00 2.12 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 2.28 2.31 0.00 110 G 8.73 3.69 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 0.00 111 L 8.10 4.68 0.00 1.60 1.55 0.91 0.94 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 0.00 112 E 8.46 4.73 0.00 1.99 1.76 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 2.30 2.25 0.00 113 P 0.00 4.41 0.00 2.02 2.01 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 114 G 9.29 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 0.00 115 G 7.78 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 0.00 116 E 8.62 5.33 0.00 2.09 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 2.33 2.26 0.00 117 V 8.64 5.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.99 0.00 0.00 118 E 9.20 5.30 0.00 2.03 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 2.35 2.21 0.00 119 Y 9.00 5.54 0.00 3.20 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 0.00 120 I 9.23 5.03 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.07 0.89 0.00 0.00 121 E 8.85 4.89 0.00 1.16 1.60 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 2.04 2.10 0.00 122 A 9.06 4.56 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 0.00 123 V 9.41 3.36 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 0.68 0.00 0.00 0.97 0.00 0.00 124 G 8.38 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 0.00 125 Q 7.40 4.54 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.67 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 126 Y 8.27 5.96 0.00 2.74 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 0.00 127 K 8.62 4.72 0.00 2.04 2.46 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.44 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.54 7.81 128 I 8.67 4.51 1.93 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 1.53 0.59 0.97 0.00 0.00 129 T 8.73 4.58 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 0.00 130 R 7.72 4.75 0.00 1.86 2.04 0.00 2.96 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 131 V 8.29 4.34 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 0.86 0.00 0.00 0.95 0.00 0.00 132 I 8.64 3.93 1.89 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 1.31 0.98 0.93 0.00 0.00 133 G 8.34 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.