NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2037 8.3001 120.3485 54.1897 33.2031 175.9917 2 A 3.5105 9.2798 112.4510 53.5036 16.5435 175.8081 3 G 3.6687 8.5126 114.0398 46.6716 0.0000 170.3564 4 D 4.5786 8.4479 121.4390 54.1181 42.1867 175.6516 5 T 4.4998 8.2311 117.4536 62.8919 69.5533 174.9902 6 T 4.8858 8.3302 117.0363 60.9363 71.4121 173.6912 7 I 4.4785 8.2376 119.9613 60.3450 41.9260 172.9792 8 T 5.1551 8.5400 124.4143 61.8724 71.1844 173.5355 9 V 4.4975 9.1118 125.6081 60.9884 34.9767 174.2120 10 V 5.3183 8.2463 126.0093 59.7316 34.2791 175.3831 11 G 3.9132 7.4111 112.5413 46.0179 0.0000 170.2199 12 N 6.0982 7.5738 115.5931 50.2539 42.0705 174.6176 13 L 4.7777 8.4284 123.0101 55.1990 42.1675 178.2934 14 T 4.1089 9.0671 114.8586 64.3196 69.5773 173.6010 15 A 4.5923 7.5895 123.2494 50.9525 22.1321 174.3331 16 D 4.6495 8.4531 117.8492 53.3782 41.4137 174.8491 17 P 4.5880 0.0000 0.0000 63.1730 31.9153 175.6462 18 E 4.1218 9.1176 125.2268 56.2257 30.2747 175.5074 19 L 4.8623 8.4434 127.2451 53.7785 43.9755 175.4505 20 R 4.8570 8.4426 123.5293 55.2435 35.4691 173.0717 21 F 5.4662 8.5668 117.2519 55.5804 43.5462 174.1296 22 T 4.7816 8.5462 112.7463 59.5256 69.8609 172.6642 23 P 4.2555 0.0000 0.0000 65.6445 31.4435 177.7232 24 S 4.3504 7.9528 112.2535 58.7473 63.2104 174.6480 25 G 4.1068 8.3611 106.6090 45.0447 0.0000 174.1637 26 A 4.1119 8.3528 124.0781 52.2764 19.1472 176.3192 27 A 3.9250 8.5580 125.2400 51.0174 20.5319 176.4512 28 V 4.2899 8.0320 120.2191 59.4981 34.5719 174.3348 29 A 5.0748 8.9957 126.4829 50.1515 21.9276 174.9306 30 N 5.4258 8.8215 118.3586 50.4783 42.6739 173.5943 31 F 4.8102 7.1582 115.0178 57.0493 41.0933 172.2411 32 T 5.1432 8.1924 114.4956 61.8313 72.4870 173.3420 33 V 4.5416 8.8471 126.3888 61.7167 33.3726 174.4540 34 A 4.3982 9.2387 131.2411 50.9160 20.2393 175.7698 35 S 4.7158 9.9034 118.6261 57.4337 64.1826 173.1478 36 T 4.6654 8.2128 124.8762 61.1055 69.7648 172.9124 37 P 4.2997 0.0000 0.0000 63.5493 32.1618 176.9294 38 R 4.5856 8.8021 127.6985 56.7045 30.7216 173.4236 39 M 3.1769 8.3149 118.6314 57.0783 28.8924 179.8493 *40 F 4.8088 8.0183 120.2985 55.2044 39.2091 177.5362 41 D 4.5035 7.9103 120.3835 53.9613 40.4277 178.0480 42 R 4.5744 8.8309 120.9863 57.1650 32.9737 176.7018 43 Q 4.4453 7.7524 111.6954 53.8999 27.1486 180.5943 44 S 4.3547 9.1005 114.3690 58.8106 62.9591 174.0846 45 G 3.9502 8.8519 114.3023 49.3732 0.0000 174.4619 46 E 4.3628 7.5780 116.1207 55.3483 31.0215 178.8903 *47 W 5.1084 7.9947 117.3891 57.0695 33.1282 172.3046 48 K 4.3758 7.8125 123.4820 55.5303 38.4343 174.6666 49 D 5.0051 9.0207 119.9402 55.9157 41.9042 176.6911 50 G 4.0434 9.0483 110.5292 44.2858 0.0000 173.0347 51 E 4.0941 8.7704 120.1617 56.6457 30.0288 175.7009 52 A 4.7654 8.3226 124.9647 50.4111 21.2190 175.8589 53 L 4.5818 8.5430 122.6635 53.2872 44.3589 175.1358 54 F 5.1769 8.9457 124.7680 55.7679 41.2824 174.6375 55 L 4.8017 8.6966 124.1078 52.6811 44.8711 175.9844 56 R 4.4480 8.5932 124.3854 56.2397 31.5816 174.6950 57 C 5.2171 9.1658 124.3204 57.9315 31.5831 172.5110 58 N 5.1230 8.7054 118.4865 51.4868 41.8903 173.4328 59 I 4.9892 8.4420 122.0797 59.2713 42.0691 173.7233 60 W 4.9481 8.7891 126.2552 55.3828 32.6103 176.9148 61 R 3.7619 8.9892 118.9794 56.8303 28.8846 176.6394 62 E 3.8785 9.0196 117.7584 60.8261 29.4792 179.8407 63 A 3.9768 8.2606 119.6530 55.3196 18.2947 179.2723 64 A 3.8745 8.1873 119.2153 55.3947 18.3807 179.7596 65 E 3.9337 7.9988 116.5864 59.5948 29.5955 179.1852 66 N 4.3280 8.3964 116.6950 56.1676 38.5073 177.5084 67 V 3.4779 8.4546 120.0468 66.1510 31.3989 178.0562 68 A 3.9572 7.7923 118.9503 55.0432 18.2612 179.1354 69 E 4.0855 8.5079 116.8117 58.7392 29.6345 178.5799 70 S 4.5676 7.9614 113.6420 57.7924 64.2872 174.1505 71 L 4.7593 7.3928 120.2758 53.0049 44.5307 175.2087 72 T 4.6764 8.0725 109.6806 59.6498 72.0521 172.9129 73 R 4.2688 8.5097 121.1231 57.6056 30.1410 176.6345 74 G 4.0466 9.2842 113.4766 45.3244 0.0000 174.1078 75 S 4.2138 7.6168 116.2511 58.8374 64.0927 173.5370 76 R 5.2754 8.4688 124.4802 55.3343 31.3421 175.4233 77 V 4.9652 9.3838 119.3219 59.7357 36.7799 174.1789 78 I 4.8922 8.7564 123.5942 59.6562 39.8264 175.0395 79 V 5.0603 8.9300 126.5000 61.2818 35.0246 174.1718 80 T 5.0622 8.8675 117.4090 60.2856 72.1278 173.6301 81 G 4.2339 8.0075 108.8314 46.6031 0.0000 171.6962 82 R 5.2263 7.9345 116.2690 54.2674 33.0393 175.0600 83 L 4.5748 9.0342 123.4593 54.8422 42.2710 176.6628 84 K 4.6800 9.4258 123.0895 54.5774 35.8492 175.1835 85 Q 4.8405 8.6628 124.7743 55.1994 30.8126 174.7006 86 R 4.5884 8.8631 124.6558 54.8820 33.8565 174.3160 87 S 5.5159 8.9245 122.5859 57.7490 62.8801 173.3813 88 F 4.4581 8.6285 130.1093 57.7956 41.5875 176.2695 *90 T 4.0140 8.6274 114.4947 60.4904 70.0981 173.9034 91 R 4.5169 7.1715 118.4290 56.1287 32.8786 178.2602 92 E 4.5637 8.7523 121.3357 51.9674 28.6341 175.2458 93 G 4.7055 8.5799 124.9484 46.6421 0.0000 172.0034 94 E 3.7901 7.2966 123.5979 56.2707 31.6169 178.9328 95 K 4.8338 7.6113 122.6794 53.5972 31.9072 177.6021 96 R 4.1566 8.2009 126.2264 58.0863 31.5345 178.3729 97 T 5.3878 7.9940 109.9437 63.7695 69.5676 172.8219 98 V 4.5665 8.3002 122.1922 59.3937 35.2710 175.6017 99 V 4.3706 8.2905 122.9784 63.2249 32.7214 174.7548 100 E 4.8047 9.0827 122.8269 55.3763 34.7031 174.0898 101 V 4.5168 8.3809 122.3033 61.5432 33.9175 174.5348 102 E 4.6949 8.9743 129.8477 54.5605 30.0122 174.9804 103 V 4.0327 8.6598 128.0708 63.4962 31.5954 175.2160 104 D 4.8580 9.6894 127.5831 55.9916 43.0075 176.3379 105 E 4.8151 7.7607 117.3791 55.2790 34.4072 174.4465 106 I 5.1045 8.2058 121.6462 60.1555 41.5039 173.7861 107 G 4.3129 8.7863 112.9503 44.3521 0.0000 170.6208 108 P 4.8943 0.0000 0.0000 62.4309 31.9813 176.2842 109 S 4.2128 8.7272 118.5281 57.9673 63.1939 173.5354 110 L 4.8920 8.0254 123.4523 53.9591 41.9842 178.0657 111 R 3.8334 7.6486 121.6331 58.9921 29.9102 176.8924 112 Y 4.9817 7.5978 110.6130 57.2579 39.3373 174.5256 113 A 4.7040 7.6625 122.1698 51.0536 22.2719 175.8611 114 T 4.4659 8.1791 109.3014 60.1148 71.2398 174.0318 115 A 4.4599 8.1278 126.2655 51.3844 21.9942 176.6312 116 K 4.2167 8.6102 125.1086 53.4943 32.2015 173.7305 117 V 4.1793 8.2854 125.4207 60.5160 32.0363 174.8470 118 N 5.0465 8.3345 123.7997 50.7174 40.2868 174.4348 119 K 4.1548 8.6872 119.2085 56.8850 32.1228 176.8579 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 4.20 0.00 1.99 1.92 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 2.49 0.00 2 A 9.28 3.51 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 3 G 8.51 3.67 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 4 D 8.45 4.58 0.00 2.68 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 5 T 8.23 4.50 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 1.21 0.00 0.00 6 T 8.33 4.89 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 1.21 0.00 0.00 7 I 8.24 4.48 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 1.06 0.91 0.00 0.00 8 T 8.54 5.16 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 1.24 0.00 0.00 9 V 9.11 4.50 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 1.02 0.00 0.00 0.93 0.00 0.00 10 V 8.25 5.32 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 0.71 0.00 0.00 0.91 0.00 0.00 11 G 7.41 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 12 N 7.57 6.10 0.00 2.64 2.71 0.00 0.00 6.97 6.04 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 13 L 8.43 4.78 0.00 1.61 1.71 0.71 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.07 4.11 4.36 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 1.51 0.00 0.00 15 A 7.59 4.59 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 16 D 8.45 4.65 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.59 0.00 2.10 2.05 0.00 3.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 18 E 9.12 4.12 0.00 2.05 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 2.33 2.27 0.00 19 L 8.44 4.86 0.00 1.59 1.56 0.65 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.44 4.86 0.00 1.61 1.76 0.00 3.12 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 21 F 8.57 5.47 0.00 2.86 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 22 T 8.55 4.78 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 1.43 0.00 0.00 23 P 0.00 4.26 0.00 2.12 2.16 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 24 S 7.95 4.35 0.00 3.92 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 25 G 8.36 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 0.00 0.00 0.00 26 A 8.35 4.11 1.44 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 27 A 8.56 3.93 1.05 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 0.00 0.00 28 V 8.03 4.29 0.91 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 0.26 0.00 0.00 -0.86 0.00 0.00 29 A 9.00 5.07 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 30 N 8.82 5.43 0.00 2.46 2.51 0.00 0.00 6.49 7.99 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 31 F 7.16 4.81 0.00 3.04 3.14 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 32 T 8.19 5.14 4.36 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 1.38 0.00 0.00 33 V 8.85 4.54 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 0.94 0.00 0.00 1.13 0.00 0.00 34 A 9.24 4.40 1.10 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 35 S 9.90 4.72 0.00 3.89 3.64 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 36 T 8.21 4.67 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 1.26 0.00 0.00 37 P 0.00 4.30 0.00 2.06 2.00 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 38 R 8.80 4.59 0.00 1.59 1.70 0.00 3.41 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 39 M 8.31 3.18 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.08 0.00 *40 F 8.02 4.81 0.00 2.25 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 0.00 0.00 0.00 41 D 7.91 4.50 0.00 2.68 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 42 R 8.83 4.57 0.00 1.85 2.01 0.00 2.99 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 43 Q 7.75 4.45 0.00 2.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.04 0.00 0.00 0.00 0.00 0.00 2.20 1.89 0.00 44 S 9.10 4.35 0.00 3.85 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 45 G 8.85 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 46 E 7.58 4.36 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 2.26 2.12 0.00 *47 W 7.99 5.11 0.00 2.45 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 0.00 0.00 0.00 48 K 7.81 4.38 0.00 1.38 1.51 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.30 0.98 7.81 49 D 9.02 5.01 0.00 2.56 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 50 G 9.05 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 51 E 8.77 4.09 0.00 1.94 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 2.34 2.45 0.00 52 A 8.32 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.54 4.58 0.00 1.66 1.42 0.94 0.93 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 54 F 8.95 5.18 0.00 2.92 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 55 L 8.70 4.80 0.00 1.58 1.52 0.92 0.43 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 56 R 8.59 4.45 0.00 1.83 1.69 0.00 3.03 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 57 C 9.17 5.22 0.00 1.59 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 0.00 0.00 0.00 0.00 58 N 8.71 5.12 0.00 2.62 2.47 0.00 0.00 6.49 6.90 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 59 I 8.44 4.99 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.55 1.03 0.00 0.00 60 W 8.79 4.95 0.00 3.17 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 61 R 8.99 3.76 0.00 2.07 1.98 0.00 3.23 0.00 0.00 3.17 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 62 E 9.02 3.88 0.00 2.06 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 2.42 2.46 0.00 63 A 8.26 3.98 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 64 A 8.19 3.87 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 65 E 8.00 3.93 0.00 2.21 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 2.50 2.40 0.00 66 N 8.40 4.33 0.00 2.88 2.86 0.00 0.00 6.66 7.41 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 67 V 8.45 3.48 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 0.90 0.00 0.00 0.99 0.00 0.00 68 A 7.79 3.96 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 69 E 8.51 4.09 0.00 1.93 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 2.36 2.58 0.00 70 S 7.96 4.57 0.00 3.92 3.86 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 71 L 7.39 4.76 0.00 1.39 1.39 0.59 0.96 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 72 T 8.07 4.68 4.43 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 1.19 0.00 0.00 73 R 8.51 4.27 0.00 1.77 1.90 0.00 3.13 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 74 G 9.28 4.05 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 0.00 0.00 0.00 75 S 7.62 4.21 0.00 3.75 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 76 R 8.47 5.28 0.00 2.01 1.79 0.00 3.16 0.00 0.00 3.17 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 77 V 9.38 4.97 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 0.59 0.00 0.00 0.92 0.00 0.00 78 I 8.76 4.89 1.86 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 1.07 0.95 0.89 0.00 0.00 79 V 8.93 5.06 2.23 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 0.97 0.00 0.00 1.04 0.00 0.00 80 T 8.87 5.06 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 1.22 0.00 0.00 81 G 8.01 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 0.00 0.00 0.00 0.00 82 R 7.93 5.23 0.00 1.85 1.98 0.00 2.77 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 83 L 9.03 4.57 0.00 1.51 1.65 0.92 0.89 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 84 K 9.43 4.68 0.00 1.58 1.65 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.50 7.81 85 Q 8.66 4.84 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 86 R 8.86 4.59 0.00 1.84 1.68 0.00 3.20 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 87 S 8.92 5.52 0.00 3.85 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 88 F 8.63 4.46 0.00 3.06 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 *90 T 8.63 4.01 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 1.21 0.00 0.00 91 R 7.17 4.52 0.00 1.76 1.70 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.00 92 E 8.75 4.56 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 2.22 2.27 0.00 93 G 8.58 4.71 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 94 E 7.30 3.79 0.00 2.03 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 2.22 1.93 0.00 95 K 7.61 4.83 0.00 1.47 1.58 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.01 7.81 96 R 8.20 4.16 0.00 1.53 1.88 0.00 3.27 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 97 T 7.99 5.39 4.28 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 1.23 0.00 0.00 98 V 8.30 4.57 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 0.69 0.00 0.00 0.81 0.00 0.00 99 V 8.29 4.37 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 0.82 0.00 0.00 0.93 0.00 0.00 100 E 9.08 4.80 0.00 1.86 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 2.14 2.17 0.00 101 V 8.38 4.52 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 1.00 0.00 0.00 0.92 0.00 0.00 102 E 8.97 4.69 0.00 2.16 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 0.00 2.28 2.37 0.00 103 V 8.66 4.03 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 0.98 0.00 0.00 1.01 0.00 0.00 104 D 9.69 4.86 0.00 2.74 2.69 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 0.00 105 E 7.76 4.82 0.00 1.91 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 2.25 2.41 0.00 106 I 8.21 5.10 1.96 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 1.22 0.92 0.94 0.00 0.00 107 G 8.79 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 0.00 0.00 0.00 0.00 108 P 0.00 4.89 0.00 2.05 2.02 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.73 4.21 0.00 3.83 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 0.00 110 L 8.03 4.89 0.00 1.62 1.61 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.65 3.83 0.00 1.46 1.39 0.00 2.41 0.00 0.00 2.56 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 112 Y 7.60 4.98 0.00 2.96 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 0.00 113 A 7.66 4.70 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 0.00 114 T 8.18 4.47 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 1.22 0.00 0.00 115 A 8.13 4.46 1.20 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 0.00 0.00 116 K 8.61 4.22 0.00 1.79 1.63 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 0.99 7.81 117 V 8.29 4.18 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 0.98 0.00 0.00 0.92 0.00 0.00 118 N 8.33 5.05 0.00 2.78 2.70 0.00 0.00 6.32 7.13 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 0.00 119 K 8.69 4.15 0.00 1.77 1.77 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.