NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6554 8.3649 119.5546 52.9451 41.9397 174.3887 2 K 4.4727 8.3576 119.5655 55.7028 33.8212 173.5216 3 A 4.8444 7.3762 120.8164 50.6429 22.6269 175.3368 4 T 4.4610 8.7788 110.4688 59.9333 72.1504 173.5811 5 I 4.3679 7.9477 123.9577 59.2690 37.6395 173.8706 6 P 4.2823 0.0000 0.0000 64.8435 31.4749 177.4045 7 S 4.5866 7.6196 111.0872 56.2233 65.1398 172.9157 8 E 4.1874 9.2210 129.1772 58.9564 29.6812 177.1087 9 S 4.7053 7.3696 111.3682 56.3772 64.5816 171.9998 10 P 4.7760 0.0000 0.0000 62.8104 32.0969 175.3166 11 F 5.2095 7.9694 116.5797 54.7641 41.9839 173.4359 12 A 4.6938 8.7826 119.5460 51.3120 19.3127 178.5025 13 A 3.9194 9.8357 125.9147 55.4707 18.6238 180.0919 14 A 4.1171 8.0672 117.0629 55.0473 18.6124 178.3624 15 E 3.9504 8.2374 116.3676 58.8247 29.8204 176.8848 16 V 3.7472 7.9740 118.2808 62.4482 30.9180 174.8344 17 A 3.9891 8.2410 130.4314 51.1389 19.7060 176.8268 18 D 4.3019 8.7828 120.1181 56.7550 41.5482 176.9180 19 G 3.8752 7.8734 108.9600 44.5313 0.0000 172.6436 20 A 4.4273 7.9439 126.9002 50.4080 22.1650 175.5608 21 I 3.8988 8.3270 123.5736 61.3464 38.0848 175.0685 22 V 4.6269 8.2509 127.2239 60.8740 34.1368 174.7742 23 V 4.2158 8.4313 128.5601 61.3668 32.7636 174.8211 24 D 5.1581 8.9395 128.2106 54.3084 42.5912 175.6034 25 I 5.1722 8.5053 121.4364 59.7465 40.6085 174.5751 26 A 4.6614 9.2489 125.9332 51.4170 23.1915 175.9321 27 K 3.9351 9.7113 116.8969 57.8494 29.8341 175.2290 28 M 3.2050 8.5084 112.8916 56.0371 30.1879 177.3047 29 K 4.5447 7.7393 116.1957 54.6421 36.4536 175.8664 30 Y 4.8437 8.1640 121.1587 57.8611 38.6406 176.0817 31 E 4.1628 9.2151 123.1226 59.2360 29.8329 177.4053 32 T 4.6704 7.7631 116.8404 60.3661 70.7938 173.5729 33 P 4.3528 0.0000 0.0000 65.3927 32.8203 175.6194 34 E 4.7182 7.7711 121.4454 55.3763 32.0324 173.8473 35 L 4.7350 9.1615 130.6439 53.7131 44.5362 174.5650 36 H 5.3853 8.7785 122.5927 54.2642 30.6844 174.0358 37 V 4.5850 8.7348 115.7266 59.7480 36.6780 174.6532 38 K 4.7307 9.2320 121.8523 54.7012 34.3127 176.7727 39 V 3.7571 8.3594 121.6953 65.2074 31.5823 176.5710 40 G 4.0263 9.4969 115.8827 45.0397 0.0000 173.2606 41 D 4.6427 8.0475 120.3581 54.4417 42.3102 175.4711 42 T 4.9542 8.4090 119.0234 62.4789 69.9045 174.2057 43 V 4.1840 8.6667 126.9887 61.6422 33.7661 174.5351 44 T 5.0317 8.3615 124.2123 61.5803 71.3985 173.1985 45 W 5.0055 9.6248 127.4885 56.0727 31.0964 175.5733 46 I 4.9921 9.0467 124.9145 59.4690 40.1350 174.0996 47 N 4.9023 9.3215 127.3970 53.4794 39.5088 175.4283 48 R 4.9533 8.8920 124.5981 56.0461 31.8249 175.7282 49 E 4.6874 8.1873 116.6667 53.8515 32.3898 176.9537 50 A 3.8855 8.4873 121.8286 54.9659 18.6744 177.6521 51 M 3.8244 8.0948 114.9972 55.5255 32.2225 174.0677 52 P 5.0913 0.0000 0.0000 62.7908 32.3951 175.4932 53 H 5.1289 8.5670 118.8197 54.6111 33.8482 171.7517 54 N 5.0699 8.4104 116.1174 51.9654 40.9493 173.1221 55 V 4.2840 7.9397 110.8857 59.8062 34.5874 174.5952 56 H 5.2153 9.1483 125.3874 54.4541 32.6857 171.9724 57 F 5.0839 9.3449 125.8836 56.1378 40.5203 176.5671 58 V 4.2237 8.7063 116.8476 60.9106 32.8752 175.4619 59 A 4.2670 8.6481 124.7603 54.3082 18.4989 178.4108 60 G 4.0764 8.8751 110.0357 45.7297 0.0000 175.5629 61 V 3.8833 7.6707 118.7971 65.6311 31.8365 176.8056 62 L 4.2770 8.3032 116.9336 53.4906 42.5018 176.6272 63 G 3.7844 7.1697 106.2794 45.6433 0.0000 172.6486 64 E 3.7923 8.6417 119.2157 59.2047 29.7712 177.5985 65 A 4.4381 7.6887 118.2515 50.9672 19.5030 176.8918 66 A 4.1130 8.6485 121.3900 52.7571 19.5096 177.5217 67 L 4.3692 9.1708 123.5992 53.4082 43.4129 175.0663 68 K 4.3970 8.3534 128.2591 54.3052 32.5057 176.1707 69 G 3.3945 8.4995 115.7410 45.0134 0.0000 170.4568 70 P 4.3929 0.0000 0.0000 62.3656 32.1275 176.1108 71 M 4.2531 8.5041 121.9270 56.0964 32.8850 175.4052 72 M 4.6443 8.6890 122.6035 53.5471 35.1164 176.3225 73 K 4.6420 8.7186 123.3574 54.6260 34.7530 176.1617 74 K 4.2871 8.3265 121.3534 57.8886 32.1810 176.1111 75 E 3.9035 9.5759 124.3967 56.9471 27.5936 173.6012 76 Q 4.9457 7.8665 117.7468 54.3917 31.8329 174.4419 77 A 5.6040 8.4126 121.9534 49.7534 23.3630 174.4778 78 Y 4.9666 8.1509 118.1756 56.7212 42.2768 173.5742 79 S 5.5273 8.1898 121.6252 56.8782 66.5068 173.4133 80 L 4.6711 8.8919 121.3823 53.4528 46.2025 175.3785 81 T 4.9147 8.7429 120.6397 62.1005 70.6421 173.6267 82 F 4.7568 9.0658 126.3529 56.6015 40.1857 176.3783 83 T 4.6179 8.6262 113.3764 61.3949 69.7710 174.1160 84 E 4.6798 8.0705 121.9535 54.1409 32.8853 174.4785 85 A 4.3256 8.8684 128.5856 51.3076 19.2760 177.2627 86 G 3.9255 6.9931 109.8790 45.3606 0.0000 170.9083 87 T 4.6954 7.2557 115.4062 61.6179 71.1197 173.9143 88 Y 4.9893 8.8065 122.9946 56.5089 41.3525 174.7725 89 D 5.0943 9.1025 124.5271 54.2574 42.4100 175.2757 90 Y 4.8092 7.9927 118.0465 56.3593 42.0050 172.8779 91 H 5.6907 8.6000 114.6273 54.4531 33.1045 171.3954 92 C 4.9368 8.5272 118.7953 58.4613 32.1666 173.7309 93 T 3.8729 9.0251 124.7830 66.3823 68.1608 173.9582 94 P 4.4159 0.0000 0.0000 64.6720 32.1280 176.0881 95 H 4.8785 7.7877 117.1811 52.5235 28.3557 172.1291 96 P 4.1954 0.0000 0.0000 65.2056 31.7307 178.0759 97 F 4.3224 8.1145 111.6181 59.0140 38.4566 174.8765 98 M 4.3125 7.4403 122.9779 54.6222 32.4431 175.5969 99 R 4.9613 8.7300 122.4028 54.3890 34.3169 174.8469 100 G 3.4425 7.9947 108.8506 44.3447 0.0000 170.8301 101 K 5.1157 8.4753 119.2043 54.6661 36.0852 174.8203 102 V 4.7014 9.2366 127.3107 61.2076 33.9031 174.2540 103 V 4.4101 9.1536 129.6584 61.4163 33.1869 174.3141 104 V 4.6627 8.8325 129.3090 61.2070 33.5591 175.4583 105 E 4.3934 9.0453 127.0975 56.4709 29.3624 175.9235 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 D 8.36 4.66 0.00 2.35 2.46 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 2 K 8.36 4.47 0.00 1.37 1.62 0.00 1.87 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 3 A 7.38 4.84 0.46 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 4 T 8.78 4.46 4.15 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 0.00 0.00 1.12 0.00 0.00 5 I 7.95 4.37 1.84 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 1.29 0.51 0.95 0.00 0.00 6 P 0.00 4.28 0.00 1.97 2.03 0.00 3.55 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 1.95 1.98 0.00 7 S 7.62 4.59 0.00 3.79 3.78 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 8 E 9.22 4.19 0.00 1.99 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 2.33 2.42 0.00 9 S 7.37 4.71 0.00 4.15 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 10 P 0.00 4.78 0.00 1.94 1.96 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 11 F 7.97 5.21 0.00 3.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.78 4.69 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 13 A 9.84 3.92 1.39 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 14 A 8.07 4.12 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 15 E 8.24 3.95 0.00 2.26 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 0.00 2.16 2.23 0.00 16 V 7.97 3.75 2.17 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 0.86 0.00 0.00 1.19 0.00 0.00 17 A 8.24 3.99 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 0.00 0.00 18 D 8.78 4.30 0.00 2.65 2.70 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 19 G 7.87 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 20 A 7.94 4.43 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 21 I 8.33 3.90 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.80 0.00 0.00 22 V 8.25 4.63 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 0.80 0.00 0.00 0.96 0.00 0.00 23 V 8.43 4.22 1.59 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 1.24 0.00 0.00 0.68 0.00 0.00 24 D 8.94 5.16 0.00 2.74 2.62 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 0.00 25 I 8.51 5.17 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.30 0.67 0.00 0.00 26 A 9.25 4.66 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 27 K 9.71 3.94 0.00 1.87 1.89 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.51 7.81 28 M 8.51 3.21 0.00 2.45 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 29 K 7.74 4.54 0.00 1.81 1.66 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.57 7.81 30 Y 8.16 4.84 0.00 3.08 3.06 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 0.00 0.00 0.00 0.00 31 E 9.22 4.16 0.00 2.15 2.31 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 2.47 2.35 0.00 32 T 7.76 4.67 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 33 P 0.00 4.35 0.00 2.12 2.33 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 34 E 7.77 4.72 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 2.23 2.21 0.00 35 L 9.16 4.74 0.00 1.78 1.47 0.87 0.55 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 36 H 8.78 5.39 0.00 3.05 3.20 0.00 5.70 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 37 V 8.73 4.59 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 0.64 0.00 0.00 0.81 0.00 0.00 38 K 9.23 4.73 0.00 1.66 1.72 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.52 7.81 39 V 8.36 3.76 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 0.81 0.00 0.00 1.01 0.00 0.00 40 G 9.50 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 41 D 8.05 4.64 0.00 2.83 2.62 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 0.00 42 T 8.41 4.95 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 1.20 0.00 0.00 43 V 8.67 4.18 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 -0.34 0.00 0.00 0.84 0.00 0.00 44 T 8.36 5.03 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 1.33 0.00 0.00 45 W 9.62 5.01 0.00 3.48 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 46 I 9.05 4.99 2.09 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 1.15 0.81 0.95 0.00 0.00 47 N 9.32 4.90 0.00 2.91 2.88 0.00 0.00 6.64 7.63 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 48 R 8.89 4.95 0.00 1.90 1.97 0.00 3.36 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 49 E 8.19 4.69 0.00 2.08 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 0.00 2.24 2.26 0.00 50 A 8.49 3.89 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 51 M 8.09 3.82 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 52 P 0.00 5.09 0.00 1.92 1.92 0.00 3.69 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 53 H 8.57 5.13 0.00 3.00 3.02 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.41 5.07 0.00 2.56 2.68 0.00 0.00 5.89 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 55 V 7.94 4.28 1.02 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 -1.03 0.00 0.00 0.32 0.00 0.00 56 H 9.15 5.22 0.00 2.96 2.91 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.34 5.08 0.00 3.08 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 58 V 8.71 4.22 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 0.90 0.00 0.00 1.00 0.00 0.00 59 A 8.65 4.27 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 60 G 8.88 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.67 3.88 2.43 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 1.30 0.00 0.00 1.13 0.00 0.00 62 L 8.30 4.28 0.00 1.53 1.31 -0.56 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.17 3.78 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 0.00 0.00 0.00 64 E 8.64 3.79 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 65 A 7.69 4.44 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 66 A 8.65 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 9.17 4.37 0.00 1.62 1.59 0.73 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.35 4.40 0.00 1.53 1.58 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.16 1.09 7.81 69 G 8.50 3.39 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 70 P 0.00 4.39 0.00 1.92 1.92 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.05 0.00 71 M 8.50 4.25 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 72 M 8.69 4.64 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 73 K 8.72 4.64 0.00 1.88 1.74 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.36 7.81 74 K 8.33 4.29 0.00 1.77 1.75 0.00 1.68 0.00 0.00 1.00 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.43 7.81 75 E 9.58 3.90 0.00 2.19 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 0.00 2.22 2.43 0.00 76 Q 7.87 4.95 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 77 A 8.41 5.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.15 4.97 0.00 2.99 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 79 S 8.19 5.53 0.00 3.77 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 80 L 8.89 4.67 0.00 1.57 0.89 0.64 0.41 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 81 T 8.74 4.91 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 1.18 0.00 0.00 82 F 9.07 4.76 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.63 4.62 4.22 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 1.20 0.00 0.00 84 E 8.07 4.68 0.00 1.93 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 2.29 2.35 0.00 85 A 8.87 4.33 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 86 G 6.99 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 87 T 7.26 4.70 4.08 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 0.00 0.00 1.13 0.00 0.00 88 Y 8.81 4.99 0.00 3.29 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 89 D 9.10 5.09 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.99 4.81 0.00 2.01 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 91 H 8.60 5.69 0.00 3.29 3.29 0.00 5.52 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.53 4.94 0.00 2.95 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 93 T 9.03 3.87 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 94 P 0.00 4.42 0.00 2.04 2.09 0.00 3.46 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.78 0.00 95 H 7.79 4.88 0.00 2.51 1.66 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.20 0.00 2.09 2.08 0.00 3.82 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 2.08 2.10 0.00 97 F 8.11 4.32 0.00 3.11 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 98 M 7.44 4.31 0.00 1.43 1.77 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.35 0.00 99 R 8.73 4.96 0.00 1.59 1.64 0.00 3.11 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 100 G 7.99 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 0.00 0.00 0.00 101 K 8.48 5.12 0.00 1.73 1.64 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.56 7.81 102 V 9.24 4.70 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 0.25 0.00 0.00 1.31 0.00 0.00 103 V 9.15 4.41 1.67 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 0.93 0.00 0.00 0.72 0.00 0.00 104 V 8.83 4.66 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 1.10 0.00 0.00 0.92 0.00 0.00 105 E 9.05 4.39 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.