NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.6165 8.4444 117.3651 54.3969 28.8211 172.3817 5 D 4.5055 8.1360 126.8389 51.2489 43.2727 171.9597 6 E 4.2750 9.2236 120.1814 56.4813 31.8665 176.0174 7 R 5.1071 8.4775 122.9626 54.6983 33.7191 174.7012 8 T 4.7700 9.0208 117.0979 60.2199 71.4074 172.1974 9 F 5.0978 9.1227 130.0778 57.5367 41.2901 174.7205 10 V 4.6061 7.2779 125.2806 61.5538 35.0182 173.2132 11 M 5.1136 8.8979 124.8731 53.2694 35.2713 174.7777 12 V 4.4121 8.8038 121.4777 62.0512 32.7058 175.9076 13 K 4.4600 8.9413 128.3607 55.5512 33.1674 176.6077 14 P 4.6503 0.0000 0.0000 65.2805 30.5366 178.6988 15 D 4.6274 8.4409 117.4609 56.0504 39.3468 178.5912 16 G 3.6935 8.2372 107.5376 47.3348 0.0000 176.0719 17 V 3.7206 7.7913 120.0793 66.0006 31.4426 177.8649 18 Q 4.1554 8.0968 116.5746 57.7928 28.7334 177.4996 19 R 4.4318 7.4861 116.2607 54.7400 31.5445 175.8873 20 G 3.7321 7.6362 105.8705 47.1385 0.0000 174.2417 21 L 4.8370 8.2742 113.7487 54.2171 43.3745 179.7681 22 I 3.9858 7.8913 123.2834 64.2280 36.9075 178.4290 23 G 3.5701 7.9075 106.2974 47.8048 0.0000 175.4226 24 D 4.4192 8.0035 121.0404 57.2249 41.0233 178.9004 25 I 3.8303 7.7068 119.9371 64.3421 37.1838 178.6144 26 V 3.8371 8.3277 119.5687 66.4067 31.2692 178.2807 27 T 4.0463 8.1796 115.7215 66.5879 68.4112 177.1849 28 R 3.9171 8.1818 120.0870 59.0246 30.1025 179.0763 29 L 3.6225 7.6182 118.6694 57.6149 41.4633 179.4429 30 E 4.3274 8.2165 118.5070 59.8938 29.2508 179.6021 31 T 3.9945 7.9736 114.7428 66.1739 68.5495 176.5484 32 K 4.0818 7.6633 120.5288 57.7080 32.2170 177.2665 33 G 4.0539 7.5402 105.2064 44.9670 0.0000 173.7990 34 L 4.5691 7.4460 118.3343 54.2468 43.1032 176.4743 35 K 4.5701 9.0127 123.8960 54.7729 33.7328 175.1611 36 M 3.4044 8.7810 128.4017 55.6120 32.5207 176.0428 37 V 4.6454 8.9831 117.5191 61.0510 34.7807 175.3472 38 G 4.0712 7.1164 106.5339 44.7305 0.0000 172.1503 39 G 4.2832 8.2386 102.7092 45.2415 0.0000 172.8920 40 K 4.9026 8.7570 127.5999 54.5758 35.8727 174.6984 41 F 5.3347 9.2819 130.1940 58.1974 40.3832 174.1104 42 M 4.4075 7.9854 121.9553 54.9347 34.9009 173.0225 43 R 4.7301 8.4066 119.1211 54.5754 32.5162 175.1651 44 I 4.1728 8.1313 126.2565 60.0113 38.0444 176.1657 45 D 4.6664 8.2363 125.8035 52.3490 41.9288 176.8225 46 E 3.7993 8.6256 119.2961 59.7696 29.3287 179.4088 47 E 3.8827 7.9950 118.6607 58.9863 29.8592 178.5115 48 L 3.7084 7.7495 120.1379 58.1244 42.2588 178.9104 49 A 4.0656 8.1873 120.7172 55.1468 18.0030 179.4240 50 H 4.5680 8.3065 114.7984 59.1946 28.9454 177.3896 51 E 4.1014 8.0589 119.3917 59.5338 29.3256 178.3985 52 H 4.5493 8.0165 116.7639 57.3981 30.4762 175.0562 53 Y 5.1101 7.7561 118.1097 57.6706 38.7559 178.2096 54 A 3.9637 8.7734 123.3612 56.3916 19.0698 182.0024 55 E 3.5889 7.0893 114.7807 59.1720 31.5049 177.5936 56 H 4.7719 8.1520 115.3949 56.1636 29.4528 177.2662 57 E 2.5400 8.2112 117.2304 58.5577 29.5426 182.9445 58 D 4.2913 8.0919 119.8736 57.4257 41.2052 177.6900 59 K 3.9692 7.2014 118.3063 54.1752 32.1014 176.2950 60 P 4.6028 0.0000 0.0000 65.3729 32.4515 177.5456 61 F 4.4116 7.2849 113.1924 58.1389 37.9391 176.5253 62 F 4.0184 7.7688 121.8771 61.8519 38.9320 176.4685 63 D 4.3031 8.1582 117.8905 56.9005 40.8595 178.7546 64 G 3.6321 8.0314 105.8523 47.6052 0.0000 175.0410 65 L 3.9723 7.9885 122.9212 58.1899 41.7832 179.4029 66 V 3.6902 7.1104 116.0453 65.7347 31.2529 177.6407 67 S 4.2296 8.0760 113.1022 61.1545 62.1701 175.9517 68 F 4.3777 8.7007 123.8166 61.3911 39.0853 176.5456 69 I 3.4531 7.6994 114.9294 62.1866 37.6919 176.1931 70 T 4.4351 7.2709 111.7856 62.4558 67.6628 174.6354 71 S 4.4703 8.0166 114.2989 58.5299 63.6355 173.3903 72 G 3.9191 6.5462 110.8685 44.4146 0.0000 171.1190 73 P 4.3856 0.0000 0.0000 62.9244 32.5086 175.8658 74 V 4.5610 8.5519 114.4722 59.7645 35.2657 174.9010 75 F 5.1874 8.7927 125.0751 56.8445 40.5818 174.0956 76 A 4.6841 8.4055 128.9971 51.4121 20.4347 175.8813 77 M 5.1838 8.9934 120.5323 53.7591 37.6624 174.2043 78 V 4.8793 8.0084 118.8571 61.0811 35.0798 174.1922 79 W 5.2638 9.0896 126.5122 54.8586 33.0027 173.9525 80 E 5.7671 9.8669 123.7598 52.9966 33.0659 175.1385 81 G 4.5801 8.2723 111.9781 45.7465 0.0000 171.2841 82 A 4.1444 8.0933 123.8567 53.0612 18.4173 176.9247 83 D 4.5369 9.0770 121.2727 54.1457 40.2751 175.2643 84 A 4.0161 7.9059 120.6446 55.5033 18.3178 180.4138 85 T 3.8500 8.0812 113.6780 66.6168 68.4476 177.0865 86 R 3.4779 7.7763 120.0456 59.4340 30.2972 178.0271 87 Q 4.2157 8.0122 119.2802 58.4066 28.7179 179.6332 88 V 3.4476 8.2628 119.1671 65.8577 31.1227 177.9286 89 R 3.8581 7.6574 117.3982 59.6918 29.5003 178.6915 90 Q 4.0015 8.3064 117.7244 59.2286 28.6639 179.4242 91 L 3.9833 7.7623 119.6537 58.1053 41.6654 179.5092 92 M 4.0140 8.0182 118.7870 55.7572 31.7711 177.8618 93 G 4.0288 7.4597 104.8937 44.0056 0.0000 172.5276 94 A 4.0923 8.3587 120.9475 52.6535 18.8038 178.1599 95 T 3.9046 8.5116 117.0350 66.5229 69.0114 174.8189 96 D 4.4623 7.9412 122.5087 53.2626 41.5123 176.4984 97 A 4.1631 8.2016 130.3915 54.5821 18.7601 179.2441 98 Q 4.0628 8.2880 114.1024 58.4155 28.8033 176.9680 99 D 4.7258 7.6073 114.8061 53.9420 42.1267 176.5376 100 A 4.2695 7.4893 121.1731 51.6142 19.3435 177.3727 101 A 4.3382 8.4990 122.9756 50.7175 19.9220 175.5285 102 P 4.3620 0.0000 0.0000 64.0939 31.6417 176.6449 103 G 3.9218 9.8667 110.7734 45.8326 0.0000 174.5941 104 T 4.4611 7.2642 109.9749 60.4821 71.6687 175.5556 105 I 3.4239 8.1846 122.7303 64.8542 37.1847 179.0207 106 R 4.0795 8.2346 118.6806 59.3788 29.7246 179.5375 107 G 3.5784 8.0837 104.7600 47.5316 0.0000 175.1640 108 D 4.4299 7.9299 120.3269 56.1108 41.0211 176.8565 109 Y 4.9114 7.7960 114.7535 57.5809 40.0271 175.8739 110 G 4.2615 8.0461 108.5261 43.8690 0.0000 173.0648 111 N 5.0455 8.1571 121.0939 52.0032 39.4797 173.2132 112 D 4.5020 7.6051 113.7074 53.4127 44.2810 175.5427 113 L 4.0408 8.5091 124.4999 57.8461 41.4590 178.4644 114 G 3.5030 8.0567 107.3578 47.8634 0.0000 173.6456 115 H 4.4221 8.0461 118.9664 53.6238 27.6112 173.8699 116 N 5.0092 7.9703 119.4256 52.1880 38.4504 176.2338 117 L 4.4461 9.9426 122.4025 56.5219 41.1363 174.2618 118 I 5.0519 7.5776 115.1243 59.9792 41.4776 173.5786 119 H 5.0908 9.4709 127.7607 54.4540 33.0681 172.4559 120 G 4.3477 8.1652 110.0067 44.1767 0.0000 172.2962 121 S 4.7048 8.5727 118.3276 57.8559 63.7981 173.8081 122 D 4.5907 8.8281 124.3675 54.0919 41.4069 175.9293 123 H 4.7868 9.1800 121.1112 56.2475 28.6805 175.2359 124 E 4.4377 8.9139 118.4037 56.1309 29.9563 175.3862 125 D 4.6573 7.6527 118.0744 51.8818 42.2779 174.6619 126 E 4.1233 8.7344 126.8689 57.6909 29.8701 177.5552 127 G 3.9195 9.0719 111.3382 45.9534 0.0000 174.8829 128 A 4.1750 7.9661 124.0771 54.2375 17.8892 180.4900 129 N 4.3832 8.1250 115.7333 56.4576 37.4646 177.2343 130 E 4.1765 8.1703 120.5305 58.3163 29.7116 178.9442 131 R 3.9623 8.1186 119.2113 59.5576 29.8411 178.3477 132 E 4.0141 8.5177 118.3957 59.5559 29.5181 179.5456 133 I 3.9300 7.7852 119.4367 64.4167 36.9418 178.3658 134 A 4.1347 7.6720 120.6534 54.5045 18.2048 179.3766 135 L 3.8620 7.5548 118.4826 58.3405 42.3873 178.6726 136 F 4.0516 8.0304 114.9944 57.4215 39.4061 175.6395 137 F 5.0887 7.4739 115.3388 55.6671 42.7194 173.6893 138 D 5.1030 9.1282 122.2167 52.3855 43.5129 177.6746 139 D 4.4272 8.6048 120.0744 57.3742 41.1305 178.3941 140 D 4.3766 8.2502 117.8027 57.0583 40.9742 176.9626 141 E 4.5801 8.0634 114.8691 56.1149 30.2568 175.5528 142 L 4.8404 7.5304 119.1878 53.3535 43.6690 176.2251 143 V 4.4304 8.0988 120.7311 61.3134 34.0465 174.4434 144 D 5.0565 8.9192 128.2062 53.0543 41.7607 175.8226 145 W 5.2151 8.6650 119.2106 55.4368 31.2917 173.2519 146 D 4.5878 8.7465 118.4551 52.4371 42.0307 176.1067 147 R 4.3406 7.8355 124.5866 54.8030 30.3531 176.4983 148 D 4.4678 8.7155 126.0951 56.8351 40.9653 177.7657 149 A 4.3788 7.9748 119.8619 53.6815 18.6256 179.1435 150 S 4.0682 8.0887 113.9446 60.7309 62.6972 175.7178 151 A 4.0032 7.4922 121.7140 53.2830 18.0300 178.1572 152 W 4.6662 7.6586 115.8922 56.9476 31.1608 177.8902 153 V 3.6002 7.7546 117.4159 64.1009 31.2917 175.4621 154 Y 4.8599 7.1612 117.7614 56.3204 40.1759 176.1686 155 E 4.1528 8.9361 119.1978 56.2586 29.7942 173.9637 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 H 8.44 4.62 0.00 2.95 2.98 0.00 7.16 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.14 4.51 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 9.22 4.28 0.00 2.10 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 2.39 2.34 0.00 7 R 8.48 5.11 0.00 1.70 1.79 0.00 3.19 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 8 T 9.02 4.77 4.29 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 1.28 0.00 0.00 9 F 9.12 5.10 0.00 3.27 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 10 V 7.28 4.61 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 0.80 0.00 0.00 0.89 0.00 0.00 11 M 8.90 5.11 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 12 V 8.80 4.41 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 1.03 0.00 0.00 1.13 0.00 0.00 13 K 8.94 4.46 0.00 2.13 1.78 0.00 1.99 0.00 0.00 2.02 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.54 7.81 14 P 0.00 4.65 0.00 1.98 2.01 0.00 3.15 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 15 D 8.44 4.63 0.00 2.92 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 16 G 8.24 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 17 V 7.79 3.72 2.30 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 1.28 0.00 0.00 1.16 0.00 0.00 18 Q 8.10 4.16 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 19 R 7.49 4.43 0.00 1.77 1.91 0.00 3.29 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 20 G 7.64 3.73 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 0.00 0.00 0.00 21 L 8.27 4.84 0.00 1.66 1.41 0.66 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.89 3.99 1.79 0.00 0.00 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 1.68 0.71 0.69 0.00 0.00 23 G 7.91 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 0.00 0.00 0.00 24 D 8.00 4.42 0.00 2.70 2.88 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 25 I 7.71 3.83 1.96 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 1.51 1.28 0.95 0.00 0.00 26 V 8.33 3.84 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 1.33 0.00 0.00 1.39 0.00 0.00 27 T 8.18 4.05 4.49 0.00 0.00 0.00 0.00 0.00 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 28 R 8.18 3.92 0.00 1.82 1.92 0.00 3.20 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 29 L 7.62 3.62 0.00 1.14 0.13 0.37 0.07 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 30 E 8.22 4.33 0.00 2.28 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 0.00 2.71 2.94 0.00 31 T 7.97 3.99 4.53 0.00 0.00 0.00 0.00 0.00 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 32 K 7.66 4.08 0.00 1.76 1.94 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.47 7.81 33 G 7.54 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 34 L 7.45 4.57 0.00 1.86 1.91 0.79 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.01 4.57 0.00 1.72 1.78 0.00 0.99 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.85 0.32 7.81 36 M 8.78 3.40 0.00 1.77 0.65 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.15 0.00 37 V 8.98 4.65 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 0.89 0.00 0.00 0.82 0.00 0.00 38 G 7.12 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 39 G 8.24 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 0.00 0.00 0.00 0.00 40 K 8.76 4.90 0.00 1.80 1.42 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.18 1.39 7.81 41 F 9.28 5.33 0.00 3.18 3.05 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 42 M 7.99 4.41 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 43 R 8.41 4.73 0.00 1.73 1.76 0.00 3.18 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 44 I 8.13 4.17 2.03 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 1.65 0.76 0.90 0.00 0.00 45 D 8.24 4.67 0.00 2.89 2.75 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 46 E 8.63 3.80 0.00 1.97 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 2.34 2.35 0.00 47 E 7.99 3.88 0.00 1.98 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 2.36 2.36 0.00 48 L 7.75 3.71 0.00 1.55 1.68 0.11 1.16 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 49 A 8.19 4.07 1.38 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 0.00 0.00 0.00 50 H 8.31 4.57 0.00 3.17 3.46 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.06 4.10 0.00 2.00 1.94 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 2.33 2.44 0.00 52 H 8.02 4.55 0.00 3.01 3.24 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.76 5.11 0.00 3.43 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 54 A 8.77 3.96 1.33 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 0.00 0.00 55 E 7.09 3.59 0.00 1.96 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 2.08 2.36 0.00 56 H 8.15 4.77 0.00 3.80 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.21 2.54 0.00 1.94 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 2.27 2.15 0.00 58 D 8.09 4.29 0.00 2.50 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 59 K 7.20 3.97 0.00 1.84 1.61 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.27 7.81 60 P 0.00 4.60 0.00 2.14 2.14 0.00 3.24 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 1.90 1.90 0.00 61 F 7.28 4.41 0.00 3.30 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 62 F 7.77 4.02 0.00 3.07 3.12 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 63 D 8.16 4.30 0.00 2.80 2.72 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 64 G 8.03 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.99 3.97 0.00 1.92 1.57 0.68 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.11 3.69 1.80 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 0.80 0.00 0.00 0.80 0.00 0.00 67 S 8.08 4.23 0.00 4.14 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 68 F 8.70 4.38 0.00 3.11 3.29 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 69 I 7.70 3.45 2.19 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 1.12 0.00 0.00 70 T 7.27 4.44 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 1.24 0.00 0.00 71 S 8.02 4.47 0.00 4.11 4.14 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 72 G 6.55 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 0.00 0.00 0.00 73 P 0.00 4.39 0.00 1.04 1.73 0.00 3.65 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 2.07 2.07 0.00 74 V 8.55 4.56 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 0.58 0.00 0.00 0.95 0.00 0.00 75 F 8.79 5.19 0.00 3.33 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 76 A 8.41 4.68 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 77 M 8.99 5.18 0.00 1.77 2.18 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.71 0.00 78 V 8.01 4.88 1.64 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 0.77 0.00 0.00 0.30 0.00 0.00 79 W 9.09 5.26 0.00 3.32 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 80 E 9.87 5.77 0.00 1.95 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 2.15 2.19 0.00 81 G 8.27 4.58 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 0.00 0.00 0.00 82 A 8.09 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 83 D 9.08 4.54 0.00 2.91 2.68 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 0.00 0.00 0.00 0.00 84 A 7.91 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.08 3.85 4.34 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 1.32 0.00 0.00 86 R 7.78 3.48 0.00 1.80 2.19 0.00 3.24 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.41 0.00 87 Q 8.01 4.22 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 88 V 8.26 3.45 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 0.89 0.00 0.00 0.81 0.00 0.00 89 R 7.66 3.86 0.00 1.98 1.98 0.00 3.37 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 90 Q 8.31 4.00 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 91 L 7.76 3.98 0.00 1.80 1.62 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.02 4.01 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 93 G 7.46 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 94 A 8.36 4.09 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 95 T 8.51 3.90 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 96 D 7.94 4.46 0.00 2.64 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 97 A 8.20 4.16 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 98 Q 8.29 4.06 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 99 D 7.61 4.73 0.00 2.79 2.67 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 0.00 100 A 7.49 4.27 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 0.00 101 A 8.50 4.34 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 0.00 102 P 0.00 4.36 0.00 2.04 2.03 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 103 G 9.87 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 0.00 0.00 0.00 104 T 7.26 4.46 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 1.22 0.00 0.00 105 I 8.18 3.42 1.85 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 1.50 0.95 1.03 0.00 0.00 106 R 8.23 4.08 0.00 1.94 1.99 0.00 3.44 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 107 G 8.08 3.58 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 0.00 0.00 0.00 108 D 7.93 4.43 0.00 2.03 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 0.00 0.00 0.00 0.00 109 Y 7.80 4.91 0.00 3.07 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 0.00 110 G 8.05 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 0.00 111 N 8.16 5.05 0.00 2.62 2.72 0.00 0.00 6.83 8.47 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 0.00 112 D 7.61 4.50 0.00 2.69 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 0.00 113 L 8.51 4.04 0.00 1.68 1.87 0.73 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.06 3.50 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 0.00 115 H 8.05 4.42 0.00 3.10 3.27 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.97 5.01 0.00 2.84 3.21 0.00 0.00 6.26 6.67 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 0.00 117 L 9.94 4.45 0.00 2.00 2.07 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.58 5.05 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 1.09 0.79 0.94 0.00 0.00 119 H 9.47 5.09 0.00 3.40 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.17 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 0.00 0.00 0.00 0.00 121 S 8.57 4.70 0.00 3.87 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 0.00 122 D 8.83 4.59 0.00 2.76 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 0.00 123 H 9.18 4.79 0.00 3.34 3.39 0.00 5.53 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.91 4.44 0.00 1.92 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 1.99 1.97 0.00 125 D 7.65 4.66 0.00 2.78 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 0.00 126 E 8.73 4.12 0.00 2.01 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 2.33 2.27 0.00 127 G 9.07 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 0.00 0.00 0.00 128 A 7.97 4.18 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.12 4.38 0.00 3.16 3.16 0.00 0.00 6.32 7.66 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 0.00 130 E 8.17 4.18 0.00 2.03 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 2.43 2.33 0.00 131 R 8.12 3.96 0.00 2.06 2.14 0.00 3.12 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 132 E 8.52 4.01 0.00 2.25 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 2.43 2.58 0.00 133 I 7.79 3.93 2.02 0.00 0.00 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 1.60 1.29 0.94 0.00 0.00 134 A 7.67 4.13 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 0.00 135 L 7.55 3.86 0.00 1.71 1.50 0.77 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.03 4.05 0.00 2.90 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 0.00 137 F 7.47 5.09 0.00 3.24 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 0.00 138 D 9.13 5.10 0.00 2.77 2.59 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 0.00 139 D 8.60 4.43 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.25 4.38 0.00 2.63 2.78 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 0.00 141 E 8.06 4.58 0.00 2.36 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 2.33 2.34 0.00 142 L 7.53 4.84 0.00 1.69 1.56 0.88 0.44 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 0.00 143 V 8.10 4.43 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 0.69 0.00 0.00 0.89 0.00 0.00 144 D 8.92 5.06 0.00 2.65 2.63 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 0.00 0.00 0.00 0.00 145 W 8.67 5.22 0.00 3.48 2.88 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 0.00 146 D 8.75 4.59 0.00 2.71 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 0.00 147 R 7.84 4.34 0.00 0.88 1.51 0.00 3.19 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 148 D 8.72 4.47 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 0.00 149 A 7.97 4.38 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 0.00 150 S 8.09 4.07 0.00 4.00 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 0.00 151 A 7.49 4.00 1.01 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 0.00 152 W 7.66 4.67 0.00 3.28 3.21 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 0.00 153 V 7.75 3.60 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 -0.14 0.00 0.00 0.84 0.00 0.00 154 Y 7.16 4.86 0.00 3.07 2.72 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 0.00 155 E 8.94 4.15 0.00 1.99 1.72 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 2.23 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.