NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5786 8.1933 115.5785 58.3196 63.8469 172.3356 3 V 4.8698 8.5501 119.7395 59.4864 35.4839 173.6590 4 T 4.6462 10.4978 121.3292 62.1333 71.6861 172.8075 5 Q 5.1096 8.7479 125.4902 53.3060 29.8703 174.3096 6 P 4.4171 0.0000 0.0000 64.7571 31.4987 176.5761 7 D 4.8527 7.3234 116.7674 52.2314 42.5548 175.9811 8 A 4.2479 8.7891 126.4510 54.5805 19.4325 177.1930 9 R 5.1374 7.8935 111.7971 54.4590 33.8893 175.4032 10 V 4.5246 9.1363 121.9124 61.5200 35.2896 174.0275 11 T 5.1909 8.6023 123.1251 61.9377 71.4352 173.6915 12 V 4.5784 8.7840 118.4578 59.4851 36.5017 174.8927 13 S 4.6872 8.5183 119.3925 57.6913 64.0248 173.4809 14 E 3.9763 8.8814 125.0977 58.2271 29.7226 176.5240 15 G 3.9394 9.3217 113.7048 44.5475 0.0000 173.5574 16 A 4.3896 7.9140 121.6429 51.2040 20.3230 176.8303 17 S 4.8764 8.2963 114.6407 57.4367 64.2287 174.0006 18 L 4.7564 8.9114 124.5278 53.3475 45.3438 175.1628 19 Q 4.7589 8.4152 125.3606 54.6551 32.0080 173.4972 20 L 4.6837 8.2639 126.8662 53.0224 43.8431 176.4208 21 R 4.4852 8.6317 123.0490 56.1537 31.6553 176.7353 22 C 5.2314 9.0532 121.0028 55.6068 45.5972 172.5661 23 K 5.4371 9.7025 126.0854 54.7301 34.7340 174.6947 24 Y 5.3066 8.8032 121.4650 55.2011 41.4832 174.6558 25 S 4.7198 8.9174 116.7352 57.1972 64.9100 173.0367 26 Y 4.7634 8.5083 125.4347 56.5689 41.5905 174.5324 27 S 4.0817 8.5249 123.8565 61.6127 63.1420 174.6983 28 A 4.1790 6.5691 120.3830 51.3860 19.1204 176.3501 29 T 3.7819 8.3891 115.3133 63.4271 68.4982 172.5501 30 P 4.0124 0.0000 0.0000 62.2784 32.3095 175.2010 31 Y 4.3383 7.9144 120.2226 56.2034 40.0996 174.4068 32 L 4.8866 7.4673 123.5597 53.2267 44.3290 175.9004 33 F 5.6285 9.5161 119.2889 56.1526 44.5649 173.4949 34 W 5.6581 9.3871 119.2688 55.5354 32.7092 174.2961 35 Y 5.4136 10.2293 122.8953 56.1255 41.3158 174.9867 36 V 4.3586 8.8521 121.9606 59.8027 34.8991 174.5690 37 Q 4.6175 8.5373 124.2445 54.4799 31.1725 173.6731 38 Y 4.6448 8.2927 124.4769 56.5639 39.7327 173.3961 39 P 4.0913 0.0000 0.0000 63.9211 31.8149 176.1139 40 R 3.9072 8.8009 120.9698 57.1624 27.5655 175.6342 41 Q 4.5782 7.7191 114.1026 54.1395 33.0433 174.8853 42 G 3.9895 8.2998 106.7805 44.8624 0.0000 171.7350 43 P 4.8187 0.0000 0.0000 62.4647 32.1271 176.2253 44 Q 4.9105 9.2981 122.8309 53.6766 31.9714 174.8772 45 L 3.4511 8.6592 125.5104 55.4479 42.4335 175.4896 46 L 4.5995 8.9605 128.6545 56.0316 43.8230 175.7018 47 L 4.6877 7.5974 116.3354 55.2294 43.4705 172.7235 48 K 5.0346 8.4132 117.5538 55.8840 35.5685 174.8159 49 Y 4.2810 8.2036 121.4311 56.7380 41.4278 173.9075 50 Y 4.3447 7.8416 123.4549 58.5837 39.6651 175.9707 51 S 4.3917 6.6303 109.9660 58.8806 66.5085 175.5095 52 G 3.9618 8.5919 107.4564 44.9876 0.0000 174.4998 53 D 4.3933 8.9099 125.7753 54.1440 41.1812 174.6891 54 P 4.3671 0.0000 0.0000 64.4445 32.4164 175.5794 55 V 4.6900 7.9150 120.6864 61.5349 32.9256 174.9893 56 V 4.5708 8.7364 121.8786 59.9130 34.1365 175.1484 57 Q 4.9283 8.7292 122.4435 54.4952 31.0669 174.8593 58 G 4.5019 8.9215 108.8636 43.1181 0.0000 172.0779 59 V 3.9368 8.4872 118.7652 63.1761 32.2065 174.7565 60 N 4.4465 9.5767 117.0258 54.6876 36.0201 174.3862 61 G 3.8863 8.0942 99.1971 46.8506 0.0000 173.5878 62 F 5.0311 7.7100 116.4944 55.5796 42.1879 175.2645 63 E 5.1724 8.9842 118.0123 55.5998 33.2863 173.6559 64 A 4.8629 8.7584 121.3355 50.4420 23.4019 174.6166 65 E 5.0763 8.5705 119.8791 54.2955 32.6494 174.5636 66 F 4.9989 9.5974 130.7933 57.9049 40.4702 174.9249 67 S 3.9853 8.5090 120.5376 55.9731 63.8441 174.0695 68 K 3.8099 8.2044 128.0185 58.6218 32.2107 178.1148 69 S 4.1682 7.9385 111.5908 61.5568 62.7289 175.0725 70 N 4.3178 7.9631 118.4638 53.2457 39.1560 174.6097 71 S 3.2381 8.2063 114.0819 60.0999 60.8829 171.0470 72 S 5.3948 7.6027 112.2052 56.3188 66.8992 173.8451 73 F 6.0027 8.5789 120.6133 58.0154 38.8383 173.8988 74 H 4.8964 8.2029 118.8113 56.0881 30.6449 176.1071 75 L 4.4769 8.5404 124.1369 53.8854 44.2470 175.0841 76 R 5.0089 8.7288 122.9711 55.0888 34.3001 173.5705 77 K 4.6567 8.6540 125.2259 54.6347 35.1626 177.1280 78 A 3.9737 8.5890 130.0145 54.7809 18.9836 176.6269 79 S 4.6510 7.4162 110.8530 57.1884 65.0815 173.9702 80 V 4.2217 8.7145 121.8293 61.3016 33.3316 175.1310 81 H 5.1144 9.4309 119.6473 53.7490 32.8679 174.9991 82 R 3.9827 8.6800 117.9772 59.7980 29.9475 179.7247 83 S 4.2002 8.2343 112.4622 61.7092 62.8219 175.1181 84 D 4.9428 8.0562 117.8947 55.6050 40.8782 176.5506 85 S 4.8293 8.5462 116.5886 58.8256 63.3945 173.7073 86 A 4.2928 8.1617 125.0831 52.0599 23.2706 173.7133 87 V 4.5919 7.3638 116.6347 61.6667 33.6945 174.7721 88 Y 5.0261 9.1135 126.1579 56.4158 40.1004 174.5559 89 F 5.3057 9.9086 123.8312 55.8909 42.1264 173.6873 90 C 4.2559 8.6758 122.8794 54.8874 41.1695 172.0164 91 A 5.1572 8.9000 126.5477 50.3987 22.8537 175.1881 92 V 4.7283 8.0289 120.1346 59.4513 34.8393 174.9197 93 S 4.1611 9.2286 119.2655 58.1055 62.7069 171.7609 *99 D 4.8102 8.7734 128.7701 52.8928 41.5623 174.8286 100 P 4.4299 0.0000 0.0000 61.9425 31.3615 174.4764 101 P 4.6173 0.0000 0.0000 62.1410 31.7777 173.8613 102 P 4.6679 0.0000 0.0000 62.9535 31.6181 175.9368 103 L 4.3611 8.0047 118.8239 54.5407 42.6320 175.8201 104 L 4.5423 8.1068 122.7872 53.4773 44.7340 175.4061 105 T 4.4918 8.2491 122.7685 61.9017 70.4512 174.0125 106 F 4.5660 8.7861 125.3752 56.6834 40.5113 175.9287 107 G 4.2571 8.7873 109.4690 45.1796 0.0000 174.6209 108 S 4.2484 8.8600 113.3611 58.9487 63.3499 175.4029 109 G 3.6563 7.9590 106.0115 45.8641 0.0000 172.9425 110 T 4.7946 7.9574 115.3578 61.4134 72.7506 173.0397 111 K 4.6901 9.2644 128.7477 55.6116 33.9492 175.2541 112 V 4.9027 9.1641 128.1392 61.2450 33.9557 174.1500 113 I 4.9430 8.9055 129.0883 59.4632 39.8755 174.6709 114 V 5.4076 8.4033 127.0595 59.1185 33.3989 175.9822 115 L 4.3163 8.4562 122.7447 54.9723 41.3470 176.6394 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 2 S 8.19 4.58 0.00 4.01 3.92 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 3 V 8.55 4.87 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 0.78 0.00 0.00 0.99 0.00 0.00 4 T 10.50 4.65 4.30 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 1.26 0.00 0.00 5 Q 8.75 5.11 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 6 P 0.00 4.42 0.00 2.20 2.24 0.00 4.00 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 2.03 2.04 0.00 7 D 7.32 4.85 0.00 2.67 2.64 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 8 A 8.79 4.25 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 9 R 7.89 5.14 0.00 1.67 1.81 0.00 3.17 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 10 V 9.14 4.52 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 1.04 0.00 0.00 0.93 0.00 0.00 11 T 8.60 5.19 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 1.25 0.00 0.00 12 V 8.78 4.58 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 0.78 0.00 0.00 0.91 0.00 0.00 13 S 8.52 4.69 0.00 3.76 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 14 E 8.88 3.98 0.00 1.93 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 2.33 2.52 0.00 15 G 9.32 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 16 A 7.91 4.39 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 17 S 8.30 4.88 0.00 3.70 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 18 L 8.91 4.76 0.00 1.56 1.30 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.42 4.76 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 20 L 8.26 4.68 0.00 1.18 1.59 0.47 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.63 4.49 0.00 1.69 1.77 0.00 3.11 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.52 0.00 22 C 9.05 5.23 0.00 3.22 3.46 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 23 K 9.70 5.44 0.00 1.69 1.67 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 Y 8.80 5.31 0.00 3.00 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 25 S 8.92 4.72 0.00 3.90 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 26 Y 8.51 4.76 0.00 3.02 3.07 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 27 S 8.52 4.08 0.00 3.66 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 28 A 6.57 4.18 1.18 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 0.00 0.00 0.00 29 T 8.39 3.78 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 0.44 0.00 0.00 30 P 0.00 4.01 0.00 1.54 1.73 0.00 3.56 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.06 0.00 31 Y 7.91 4.34 0.00 2.96 2.85 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 0.00 0.00 0.00 32 L 7.47 4.89 0.00 0.27 0.73 0.37 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.52 5.63 0.00 3.04 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 34 W 9.39 5.66 0.00 3.33 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 35 Y 10.23 5.41 0.00 3.21 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 36 V 8.85 4.36 1.62 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 0.59 0.00 0.00 -0.48 0.00 0.00 37 Q 8.54 4.62 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 38 Y 8.29 4.64 0.00 2.98 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 39 P 0.00 4.09 0.00 2.10 2.05 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 40 R 8.80 3.91 0.00 1.97 2.02 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 41 Q 7.72 4.58 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 42 G 8.30 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 0.00 0.00 0.00 43 P 0.00 4.82 0.00 1.73 1.88 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.82 0.00 44 Q 9.30 4.91 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 45 L 8.66 3.45 0.00 1.41 1.50 0.56 0.96 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 46 L 8.96 4.60 0.00 1.88 1.63 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.60 4.69 0.00 1.86 1.78 1.18 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.41 5.03 0.00 1.02 1.77 0.00 1.20 0.00 0.00 1.62 0.00 0.00 2.53 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.09 0.74 7.81 49 Y 8.20 4.28 0.00 3.15 2.33 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 50 Y 7.84 4.34 0.00 2.75 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 51 S 6.63 4.39 0.00 3.90 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 52 G 8.59 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 0.00 0.00 0.00 53 D 8.91 4.39 0.00 2.71 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 54 P 0.00 4.37 0.00 2.27 2.38 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 55 V 7.91 4.69 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 0.85 0.00 0.00 0.94 0.00 0.00 56 V 8.74 4.57 2.19 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 0.94 0.00 0.00 1.22 0.00 0.00 57 Q 8.73 4.93 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 58 G 8.92 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 3.94 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 1.08 0.00 0.00 0.99 0.00 0.00 60 N 9.58 4.45 0.00 3.24 3.08 0.00 0.00 6.91 7.65 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 61 G 8.09 3.89 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 0.00 0.00 0.00 62 F 7.71 5.03 0.00 3.19 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 63 E 8.98 5.17 0.00 2.10 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 0.00 2.21 2.19 0.00 64 A 8.76 4.86 0.67 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 65 E 8.57 5.08 0.00 2.04 1.75 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 2.17 2.21 0.00 66 F 9.60 5.00 0.00 2.51 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 0.00 0.00 0.00 0.00 67 S 8.51 3.99 0.00 3.73 3.52 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 68 K 8.20 3.81 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.46 0.00 0.00 3.14 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.46 7.81 69 S 7.94 4.17 0.00 3.96 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 70 N 7.96 4.32 0.00 2.63 2.78 0.00 0.00 7.37 7.20 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 71 S 8.21 3.24 0.00 3.78 3.47 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 72 S 7.60 5.39 0.00 3.65 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 73 F 8.58 6.00 0.00 3.13 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 74 H 8.20 4.90 0.00 3.15 3.18 0.00 5.67 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 75 L 8.54 4.48 0.00 0.27 0.43 0.33 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.73 5.01 0.00 1.72 1.58 0.00 3.02 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 77 K 8.65 4.66 0.00 0.91 1.19 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.94 1.02 7.81 78 A 8.59 3.97 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 79 S 7.42 4.65 0.00 3.77 3.57 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 0.00 0.00 0.00 0.00 80 V 8.71 4.22 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 0.58 0.00 0.00 0.92 0.00 0.00 81 H 9.43 5.11 0.00 3.00 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.68 3.98 0.00 1.85 2.02 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 83 S 8.23 4.20 0.00 3.93 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 84 D 8.06 4.94 0.00 2.94 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 85 S 8.55 4.83 0.00 3.97 3.92 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 86 A 8.16 4.29 0.92 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 0.00 0.00 87 V 7.36 4.59 1.96 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 0.41 0.00 0.00 0.89 0.00 0.00 88 Y 9.11 5.03 0.00 2.99 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 89 F 9.91 5.31 0.00 3.22 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 90 C 8.68 4.26 0.00 1.81 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 91 A 8.90 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.03 4.73 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 0.51 0.00 0.00 0.46 0.00 0.00 93 S 9.23 4.16 0.00 4.32 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 *99 D 8.77 4.81 0.00 2.67 2.39 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 0.00 100 P 0.00 4.43 0.00 2.30 2.27 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 101 P 0.00 4.62 0.00 2.02 1.91 0.00 3.76 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 102 P 0.00 4.67 0.00 2.12 2.06 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 103 L 8.00 4.36 0.00 1.69 1.59 0.92 0.79 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 0.00 104 L 8.11 4.54 0.00 1.34 1.03 0.30 0.39 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 0.00 105 T 8.25 4.49 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 1.21 0.00 0.00 106 F 8.79 4.57 0.00 2.79 2.79 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 0.00 107 G 8.79 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 0.00 0.00 0.00 108 S 8.86 4.25 0.00 4.07 4.09 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 0.00 109 G 7.96 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.96 4.79 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 111 K 9.26 4.69 0.00 1.79 1.69 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.40 7.81 112 V 9.16 4.90 2.34 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 0.93 0.00 0.00 0.85 0.00 0.00 113 I 8.91 4.94 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 1.32 0.72 0.94 0.00 0.00 114 V 8.40 5.41 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 0.98 0.00 0.00 0.99 0.00 0.00 115 L 8.46 4.32 0.00 1.56 1.62 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.