NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9286 8.3549 109.7353 45.3297 0.0000 173.9810 4 D 4.4225 7.7109 117.6903 53.2375 42.5647 175.3833 5 T 4.3866 8.2557 120.2088 63.4239 70.3462 173.6047 6 T 5.5004 8.7694 116.5239 59.2003 72.0070 173.4183 7 I 4.7655 8.0175 114.2552 59.8738 41.4258 173.5359 8 T 5.0599 8.4556 119.7108 62.0915 70.8614 174.2181 9 V 4.4444 9.2897 124.9616 61.2894 35.1687 173.8279 10 V 4.7572 8.4707 127.3794 60.8079 33.7173 175.0374 11 G 3.9707 7.5604 112.0725 46.8539 0.0000 170.8165 12 N 5.6716 8.0309 116.4903 51.2327 41.6205 175.0327 13 L 4.7245 8.5484 122.3084 55.2421 42.6616 177.8537 14 T 4.4893 8.4808 111.6781 62.1320 69.7164 174.7597 15 A 4.3548 8.0172 121.2329 51.4661 21.6881 175.3178 16 D 4.3986 8.8229 121.2646 52.8396 41.6951 175.5494 17 P 4.6030 0.0000 0.0000 62.9631 32.4421 176.1460 18 E 4.5709 8.5554 123.2349 53.9438 29.3653 173.9974 19 L 4.4191 8.0453 124.8904 54.8791 43.3119 175.6938 20 R 4.8429 8.5687 122.9577 54.8155 35.2234 173.6765 21 F 5.0178 8.6944 119.7064 55.6672 41.4424 175.8403 22 T 4.1924 9.0399 114.6608 60.6037 69.3554 173.8493 23 P 4.4342 0.0000 0.0000 64.9827 31.3207 176.8202 24 S 4.4631 8.1040 114.5500 58.4910 62.8073 175.0245 25 G 3.9958 8.4499 108.5918 45.3994 0.0000 173.7794 26 A 4.6426 7.7117 121.4850 51.0740 20.6848 176.4631 27 A 4.3355 8.3481 121.5326 50.0359 22.1136 176.0340 28 V 4.2995 8.0650 119.5372 60.7926 35.4234 173.9213 29 A 5.0192 8.5222 128.5859 50.1004 22.1970 174.6604 30 N 5.3763 8.3202 118.7970 51.3151 42.1516 173.6724 31 F 5.2558 8.1274 116.8898 55.9232 42.0445 172.9141 32 T 5.1251 8.6678 110.9538 60.0797 71.5704 172.9617 33 V 4.6276 8.5638 124.9201 61.8874 33.5831 174.1783 34 A 4.5759 8.7882 129.5749 50.0519 21.4176 175.1104 35 S 4.8490 8.5748 118.0045 56.7514 65.2772 173.1268 36 T 4.6919 8.2584 122.5628 61.1571 71.4439 172.1668 37 P 4.3362 0.0000 0.0000 64.0755 31.9481 177.8485 38 R 4.5196 7.7461 113.8150 56.4498 31.4258 175.3217 39 M 4.4240 8.0520 128.0006 54.7309 33.4993 175.6667 *40 F 5.3739 7.8499 116.7097 54.1812 41.8409 169.1606 41 D 4.2609 9.3689 127.7957 56.9863 40.5973 175.2415 42 R 3.7424 8.7727 122.1322 57.3142 27.3320 173.2978 *47 W 4.4373 7.7858 120.9495 58.0038 29.3846 179.3121 48 K 5.0768 8.5504 121.9831 54.6490 34.4069 171.8067 49 D 4.4568 8.8460 121.1107 53.3525 40.8567 170.7131 50 G 3.1141 10.1726 106.6720 45.4450 0.0000 175.0222 51 E 3.6817 8.4844 123.8537 55.7579 28.9118 169.0753 52 A 4.9164 7.8331 114.1212 53.9219 22.0548 175.9388 53 L 4.5782 7.5592 120.5936 53.8579 45.6772 174.3247 54 F 5.2334 9.1595 124.8634 55.6960 41.6493 174.5839 55 L 4.7990 8.7779 123.9802 52.6471 44.7125 176.2264 56 R 4.3502 8.7000 123.7421 56.4239 31.2964 175.5231 57 C 5.3569 8.7050 121.3671 57.8575 32.4301 172.7972 58 N 5.7576 8.3560 117.5570 50.9379 40.7189 173.1129 59 I 5.0451 8.2677 120.7273 59.1758 41.9068 173.7731 60 W 4.9321 8.7802 126.2123 55.2396 32.2245 177.5957 61 R 3.8216 8.9202 118.6843 57.4481 27.9673 178.6476 62 E 4.0014 9.0290 120.1245 60.8130 29.5112 178.4379 63 A 3.9518 8.2433 119.7620 55.5434 18.2554 179.3689 64 A 3.9538 7.7958 118.9211 55.2980 18.4838 179.7060 65 E 3.9137 8.2601 117.1720 59.7210 29.7167 179.3015 66 N 4.3322 8.1503 115.9559 56.2402 38.5826 177.2938 67 V 3.4647 8.2712 119.6898 66.1250 31.4928 178.0545 68 A 3.9986 7.8906 118.8043 54.5832 18.2200 178.4395 69 E 4.1669 7.8935 116.2635 57.9490 29.9479 177.5697 70 S 4.5358 7.6992 113.2942 57.9745 64.2611 174.1520 71 L 4.7713 7.3243 119.9997 52.9763 44.3709 175.4708 72 T 4.7290 8.1475 109.9551 59.7307 71.9306 172.8485 73 R 4.0530 8.1501 121.6466 58.0652 30.2171 177.1250 74 G 4.0121 9.0319 114.3777 45.1683 0.0000 173.8989 75 S 4.1649 7.6469 116.5545 58.8144 64.0758 173.6410 76 R 4.6893 8.7090 125.3082 56.1450 30.7949 175.3318 77 V 4.9226 8.8614 120.2015 59.6053 35.6823 174.7427 78 I 4.7819 8.8325 123.9030 59.6744 39.4486 174.8516 79 V 4.7763 9.0349 127.3372 61.2190 34.4118 174.0459 80 T 4.9491 8.3727 121.8661 60.4556 70.6366 173.0524 81 G 4.1799 7.8850 113.0874 46.8631 0.0000 171.6734 82 R 5.1273 8.1307 120.1931 54.2180 33.8135 175.2108 83 L 4.6495 8.5611 126.1524 54.3741 42.4325 175.5458 84 K 4.6793 9.0928 128.9793 54.8786 34.6830 174.7923 85 Q 5.0147 8.4649 125.9549 54.5971 32.4019 173.9266 86 R 4.6104 8.8448 124.2727 54.7003 33.9166 175.2133 87 S 5.1985 8.7494 122.1806 57.3398 61.7894 174.5367 *88 F 4.4267 8.4661 127.3563 57.1673 39.8662 173.3662 89 E 3.5337 8.6877 115.3529 57.4065 28.7248 174.8024 90 T 4.4375 7.7906 124.1234 65.8173 71.0548 175.8154 91 R 4.1458 8.3621 119.7788 58.1210 29.4280 180.5027 92 E 4.4997 8.1858 111.7061 56.4851 30.8617 181.2173 93 G 4.5089 8.6618 114.5177 47.8094 0.0000 174.7051 94 E 4.3177 7.1223 111.7171 54.8669 29.5128 182.6553 95 K 5.3993 8.0472 127.7154 56.9060 32.0573 172.5798 96 R 4.4448 7.5174 124.8935 56.3898 32.1518 175.3736 97 T 4.9347 8.0739 116.6907 60.9519 70.5856 172.7086 98 V 4.6358 8.9166 126.8189 61.1942 35.7409 173.9804 99 V 5.1066 8.3652 123.4152 61.1488 34.6276 173.9431 100 E 4.9361 9.3765 123.8806 54.8793 34.1232 173.9433 101 V 4.7905 8.4091 118.3971 61.1259 34.5831 174.5663 102 E 4.4901 9.1423 129.4103 55.4545 29.7921 176.5467 103 V 4.1031 8.2513 125.3085 63.7600 31.5974 174.9553 104 D 4.8377 9.4454 127.6331 55.8359 42.4938 176.1528 105 E 4.8164 7.8620 116.3941 54.8461 34.0513 174.1995 106 I 4.9158 8.2737 120.4595 60.3767 41.1825 173.5769 107 G 4.3603 8.7697 114.5352 44.2698 0.0000 170.4459 108 P 4.8897 0.0000 0.0000 62.5112 32.3798 175.7064 109 S 4.4359 9.0745 117.4826 57.2704 63.3959 173.7679 110 L 5.0289 8.1036 124.8689 54.1022 42.0466 178.0530 111 R 3.7998 7.5156 121.1463 58.9771 29.9609 176.9013 112 Y 4.9179 7.6107 111.0618 57.1598 39.3172 174.5196 113 A 4.7316 7.6556 121.9140 51.1561 22.2316 175.8714 114 T 4.7915 8.2559 108.7693 59.7650 71.5650 173.5079 115 A 4.5704 8.1252 124.4047 50.4950 22.1985 176.1190 116 K 4.2756 8.4834 121.3069 55.1166 32.0403 177.6055 117 V 3.8030 8.1580 127.8882 61.8709 29.5952 174.5632 118 N 4.5546 8.5563 121.1025 51.8709 36.2143 175.8310 119 K 4.2400 8.5357 124.2533 57.8605 33.6855 176.7135 120 A 4.1238 7.4805 125.2507 52.3416 19.1569 175.9867 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 3 G 8.35 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 4 D 7.71 4.42 0.00 2.75 2.60 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 0.00 0.00 0.00 5 T 8.26 4.39 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 8.77 5.50 4.39 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 1.21 0.00 0.00 7 I 8.02 4.77 1.88 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 1.35 0.63 0.92 0.00 0.00 8 T 8.46 5.06 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 1.26 0.00 0.00 9 V 9.29 4.44 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 0.90 0.00 0.00 0.94 0.00 0.00 10 V 8.47 4.76 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 0.84 0.00 0.00 0.92 0.00 0.00 11 G 7.56 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 12 N 8.03 5.67 0.00 2.70 2.83 0.00 0.00 7.48 6.26 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 13 L 8.55 4.72 0.00 1.72 1.62 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.48 4.49 4.38 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 1.45 0.00 0.00 15 A 8.02 4.35 1.25 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 0.00 0.00 0.00 16 D 8.82 4.40 0.00 2.69 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 17 P 0.00 4.60 0.00 1.94 2.04 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 18 E 8.56 4.57 0.00 2.17 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 2.18 2.21 0.00 19 L 8.05 4.42 0.00 1.67 1.58 0.74 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.57 4.84 0.00 1.60 1.71 0.00 3.26 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 21 F 8.69 5.02 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 9.04 4.19 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 1.37 0.00 0.00 23 P 0.00 4.43 0.00 2.23 2.26 0.00 3.82 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 2.04 2.03 0.00 24 S 8.10 4.46 0.00 3.96 3.98 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 25 G 8.45 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 26 A 7.71 4.64 1.40 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 0.00 0.00 0.00 27 A 8.35 4.34 0.59 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 0.00 0.00 0.00 28 V 8.07 4.30 1.50 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 0.02 0.00 0.00 -0.36 0.00 0.00 29 A 8.52 5.02 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 30 N 8.32 5.38 0.00 2.74 2.61 0.00 0.00 6.27 8.01 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 31 F 8.13 5.26 0.00 3.07 3.08 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 32 T 8.67 5.13 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 1.27 0.00 0.00 33 V 8.56 4.63 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 0.92 0.00 0.00 1.12 0.00 0.00 34 A 8.79 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.57 4.85 0.00 3.88 3.60 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 0.00 0.00 0.00 36 T 8.26 4.69 4.19 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 1.29 0.00 0.00 37 P 0.00 4.34 0.00 2.16 2.01 0.00 4.04 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 2.03 2.09 0.00 38 R 7.75 4.52 0.00 1.77 1.67 0.00 3.26 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 39 M 8.05 4.42 0.00 2.12 2.03 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 2.68 2.59 0.00 *40 F 7.85 5.37 0.00 2.25 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 0.00 0.00 0.00 0.00 41 D 9.37 4.26 0.00 2.80 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 42 R 8.77 3.74 0.00 2.00 1.93 0.00 3.30 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 *47 W 7.79 4.44 0.00 2.44 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 48 K 8.55 5.08 0.00 1.71 1.54 0.00 1.77 0.00 0.00 2.29 0.00 0.00 2.83 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 0.79 7.81 49 D 8.85 4.46 0.00 2.78 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 50 G 10.17 3.11 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 51 E 8.48 3.68 0.00 2.15 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 2.13 1.85 0.00 52 A 7.83 4.92 1.19 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 0.00 0.00 53 L 7.56 4.58 0.00 1.68 1.37 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.16 5.23 0.00 2.92 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 55 L 8.78 4.80 0.00 1.59 1.56 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.70 4.35 0.00 1.75 1.82 0.00 3.06 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 57 C 8.71 5.36 0.00 1.99 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 58 N 8.36 5.76 0.00 2.54 2.74 0.00 0.00 6.27 8.54 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 59 I 8.27 5.05 2.06 0.00 0.00 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 1.44 1.58 1.04 0.00 0.00 60 W 8.78 4.93 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 61 R 8.92 3.82 0.00 2.15 1.86 0.00 3.22 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 62 E 9.03 4.00 0.00 2.08 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 0.00 2.43 2.48 0.00 63 A 8.24 3.95 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 7.80 3.95 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 65 E 8.26 3.91 0.00 2.20 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 0.00 2.41 2.32 0.00 66 N 8.15 4.33 0.00 2.92 2.86 0.00 0.00 6.71 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 67 V 8.27 3.46 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 0.80 0.00 0.00 0.91 0.00 0.00 68 A 7.89 4.00 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 69 E 7.89 4.17 0.00 2.05 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 0.00 2.28 2.34 0.00 70 S 7.70 4.54 0.00 3.86 3.85 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 71 L 7.32 4.77 0.00 1.46 1.42 0.64 0.58 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 72 T 8.15 4.73 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 1.20 0.00 0.00 73 R 8.15 4.05 0.00 1.85 1.89 0.00 3.29 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 74 G 9.03 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 0.00 0.00 0.00 0.00 75 S 7.65 4.16 0.00 3.81 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 76 R 8.71 4.69 0.00 1.95 1.85 0.00 3.28 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 77 V 8.86 4.92 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 0.78 0.00 0.00 0.96 0.00 0.00 78 I 8.83 4.78 1.86 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 1.09 0.69 0.91 0.00 0.00 79 V 9.03 4.78 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 1.05 0.00 0.00 1.07 0.00 0.00 80 T 8.37 4.95 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 1.29 0.00 0.00 81 G 7.88 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 0.00 0.00 0.00 0.00 82 R 8.13 5.13 0.00 1.75 1.79 0.00 3.11 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 83 L 8.56 4.65 0.00 1.84 1.60 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.09 4.68 0.00 1.87 1.63 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.40 7.81 85 Q 8.46 5.01 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 86 R 8.84 4.61 0.00 1.78 1.76 0.00 3.17 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 1.53 1.56 0.00 87 S 8.75 5.20 0.00 3.74 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 *88 F 8.47 4.43 0.00 1.97 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 0.00 0.00 0.00 89 E 8.69 3.53 0.00 2.09 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 1.88 0.00 90 T 7.79 4.44 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 8.36 4.15 0.00 1.83 1.83 0.00 3.24 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 92 E 8.19 4.50 0.00 1.96 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 2.14 1.85 0.00 93 G 8.66 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.12 4.32 0.00 2.00 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 2.24 1.93 0.00 95 K 8.05 5.40 0.00 1.88 1.73 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.13 0.72 7.81 96 R 7.52 4.44 0.00 1.92 2.01 0.00 3.06 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 97 T 8.07 4.93 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 98 V 8.92 4.64 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 0.89 0.00 0.00 0.93 0.00 0.00 99 V 8.37 5.11 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 0.91 0.00 0.00 0.94 0.00 0.00 100 E 9.38 4.94 0.00 1.94 1.98 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 2.18 2.24 0.00 101 V 8.41 4.79 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 1.03 0.00 0.00 0.94 0.00 0.00 102 E 9.14 4.49 0.00 1.98 1.93 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 2.35 2.26 0.00 103 V 8.25 4.10 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 0.88 0.00 0.00 1.10 0.00 0.00 104 D 9.45 4.84 0.00 2.64 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 7.86 4.82 0.00 1.85 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 2.30 2.23 0.00 106 I 8.27 4.92 1.94 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.92 0.00 0.00 107 G 8.77 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 0.00 0.00 0.00 0.00 108 P 0.00 4.89 0.00 2.06 2.02 0.00 3.73 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 1.96 1.93 0.00 109 S 9.07 4.44 0.00 3.83 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 0.00 110 L 8.10 5.03 0.00 1.62 1.62 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.52 3.80 0.00 1.51 1.46 0.00 2.91 0.00 0.00 2.62 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 112 Y 7.61 4.92 0.00 2.97 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 0.00 113 A 7.66 4.73 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 0.00 114 T 8.26 4.79 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 0.00 115 A 8.13 4.57 1.19 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 0.00 0.00 116 K 8.48 4.28 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.41 7.81 117 V 8.16 3.80 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 0.75 0.00 0.00 0.92 0.00 0.00 118 N 8.56 4.55 0.00 2.69 2.74 0.00 0.00 6.51 7.44 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 0.00 119 K 8.54 4.24 0.00 1.85 1.95 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.56 7.81 120 A 7.48 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 * Residues marked with a * may have inaccurate shift predictions.