NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3638 8.3344 115.2888 58.4930 64.6212 173.5397 3 H 4.1192 7.8299 119.8067 54.6393 30.4012 173.6705 4 P 4.3040 0.0000 0.0000 65.9995 32.0392 177.5160 5 D 4.5600 8.3633 115.9514 55.7904 40.6796 177.7716 6 L 3.9842 8.0702 121.9833 58.3109 41.9938 178.5904 7 N 4.3501 7.9928 116.4271 55.8654 38.4174 177.3463 8 K 3.9610 8.0119 121.3435 59.3344 32.2944 178.5614 9 L 4.0763 7.9435 120.1509 58.3852 41.8280 178.8549 10 L 4.0977 8.0251 117.8776 57.6641 41.5597 178.8142 11 E 4.1227 8.0306 118.7882 59.2120 29.7954 178.4726 12 L 4.2268 8.2563 118.5275 56.3818 41.8036 178.7731 13 W 4.1308 8.3640 129.4880 60.0727 30.5429 175.7087 14 P 4.2827 0.0000 0.0000 66.8044 30.3490 177.9003 15 H 4.2579 8.2039 115.3030 58.3393 28.6132 177.7855 16 I 3.6001 7.2668 121.7666 64.1946 36.7597 178.2066 17 Q 3.6547 7.8907 120.7493 59.0752 28.8343 178.1268 18 E 3.8950 8.2527 119.7651 59.4078 29.4155 178.7556 19 Y 4.0586 7.8637 119.6963 60.6960 38.7947 177.6817 20 Q 3.6573 8.0387 120.5323 59.1876 29.0863 178.0340 21 D 4.2544 8.2721 120.2839 57.1763 40.6623 178.5245 22 L 3.9034 7.7800 120.7130 57.8979 41.9774 178.9011 23 A 3.7833 7.7505 120.8326 54.8741 18.3053 179.2247 24 L 4.0001 7.9491 120.5173 57.6884 41.9357 179.1727 25 K 3.9547 7.9301 118.0189 58.8794 31.9962 177.2965 26 H 4.8272 7.5263 115.0857 55.2022 29.6073 175.3766 27 G 3.8122 7.9054 107.3733 45.8093 0.0000 173.9024 28 I 4.3432 7.8578 121.4568 59.2091 38.4030 176.5271 29 N 4.3213 8.6902 123.4754 55.3240 38.5160 175.0991 30 D 4.3581 7.6231 118.2442 52.9099 42.9581 175.4570 31 I 3.7134 8.4276 121.8113 62.9986 37.8754 177.3274 32 F 5.0341 7.9998 119.1380 57.3139 39.0191 175.2768 33 Q 4.6041 7.3954 118.8460 55.2526 32.5034 174.1926 34 D 4.5278 9.5090 117.0543 55.5386 38.7567 173.6062 35 N 4.2293 8.3468 111.6763 54.2221 36.5829 176.8146 36 G 4.0285 7.9971 108.6599 47.5301 0.0000 176.3735 37 G 3.7879 8.1491 108.3120 47.0486 0.0000 175.7921 38 K 4.0909 7.9303 120.1468 58.8433 32.2713 178.8338 39 L 3.9789 8.4579 121.1364 57.9138 41.8895 178.6882 40 L 3.8332 7.8843 120.3646 58.1730 42.0091 178.6561 41 Q 3.9596 7.6894 118.9132 59.3929 28.9770 178.6223 42 V 3.5436 7.8115 119.0814 65.9287 31.5497 178.0269 43 L 3.9455 8.1473 118.9674 57.8060 41.2551 179.5111 44 L 4.0070 8.0400 118.2746 57.3985 41.5423 179.3874 45 I 3.8695 7.5464 119.5175 64.3675 37.3270 178.0655 46 T 4.1187 7.8455 108.5957 62.4285 69.0334 175.9001 47 G 3.9158 8.0220 109.3430 45.0217 0.0000 173.5903 48 L 4.5233 7.2975 118.9339 54.8610 42.5635 176.4850 49 T 4.7690 8.6811 110.1546 60.1345 72.4912 172.8947 50 V 4.7471 8.3051 116.2153 59.5697 33.4571 175.7750 51 L 4.3983 8.4311 125.3485 54.1377 41.7358 176.0387 52 P 4.3286 0.0000 0.0000 62.4022 28.9634 175.4391 *56 G 3.7192 7.7792 115.4842 46.5152 0.0000 169.0933 57 N 4.8996 8.1461 112.9205 53.3827 39.2451 175.3608 58 D 4.8845 8.0925 118.4979 54.6438 42.3271 175.2424 59 A 4.8939 8.8763 122.5225 50.5801 23.6633 175.0651 60 V 5.7018 9.1985 111.4319 58.8328 36.3150 175.8769 61 D 5.0900 8.6766 123.2584 51.8090 41.9813 176.5775 62 N 4.3867 8.9802 114.7922 55.0146 37.2084 175.2990 63 A 4.3760 8.2777 120.2923 52.0288 19.6372 177.5946 64 G 3.9513 8.2716 104.7319 44.5541 0.0000 173.5766 65 Q 4.0577 8.5217 122.8815 55.7938 29.8504 174.9282 66 E 4.8354 8.5788 127.5551 56.2418 31.0045 174.9032 67 Y 4.9741 9.0312 121.5781 56.3654 43.1648 173.5037 68 E 4.7757 8.4829 122.5611 53.9454 31.4671 174.4969 69 L 5.0450 7.5388 125.7374 52.9059 43.7187 176.0525 70 K 4.7652 8.9640 123.1291 54.6489 35.7739 175.1736 71 S 5.6121 8.7669 116.0207 57.1868 65.9947 172.7297 72 I 4.5437 8.8977 123.4718 59.7110 42.0666 173.2740 73 N 5.2995 8.6307 127.0264 51.9455 39.4574 175.0113 74 I 4.2839 8.8833 126.7937 62.2451 38.2633 176.5829 75 D 4.5744 8.2844 118.4290 56.4975 41.3519 176.7675 76 L 4.4911 7.8924 117.4420 55.8720 43.1709 176.3906 77 T 4.6402 7.5106 113.1505 60.9425 70.6692 174.1885 78 K 4.4670 8.5305 126.5732 55.1280 33.4153 176.9222 79 G 4.4919 7.5778 104.2140 45.0142 0.0000 173.0188 80 F 4.6319 9.3391 122.7679 57.1100 40.1732 175.6577 81 S 4.4907 8.9869 119.2547 59.4356 63.2303 172.2158 82 T 4.6839 9.6093 108.9839 62.0167 71.5677 173.3143 83 H 4.8453 7.7791 117.6374 53.7151 33.9292 174.1714 84 H 4.2295 8.7847 125.2746 59.0220 30.5522 174.2176 85 H 5.0955 8.1116 114.4000 54.1974 28.2343 173.2836 86 M 4.1227 8.6367 120.7409 55.7677 33.8438 175.6466 87 N 4.4629 8.1973 121.7041 50.1111 40.6352 173.3245 88 P 3.9333 0.0000 0.0000 65.5601 30.5064 179.0699 89 V 3.3891 7.2945 116.5449 65.9512 31.4675 178.0733 90 I 3.3969 7.5964 119.4972 64.2504 36.8393 178.5074 91 I 3.6187 7.6601 120.4702 64.0793 36.6163 178.3152 92 A 3.8914 7.8251 121.2893 54.9966 18.5539 179.6012 93 K 4.0498 7.5508 116.0215 59.7527 32.1170 178.9888 94 Y 4.7142 7.9343 117.0449 61.6814 37.6872 179.2138 95 R 4.0859 7.9146 119.5746 59.8638 30.1304 179.4365 96 Q 4.2492 7.9869 119.6531 58.4015 28.3535 181.0550 97 V 4.7364 7.0575 109.8097 58.9533 35.6914 173.4461 98 P 4.9489 0.0000 0.0000 62.3592 33.1066 175.0892 99 W 5.2808 9.5257 120.7006 55.1372 32.8278 174.9361 100 I 4.8450 8.7701 124.9381 59.8509 38.9769 174.4975 101 F 5.1267 9.6023 127.0189 55.6674 41.2752 174.6178 102 A 5.3614 9.4808 126.4902 50.3868 21.5024 175.2289 103 I 5.1422 9.1063 123.4619 59.8783 40.0091 174.5871 104 Y 5.1420 9.4080 123.7961 56.3319 42.6129 175.0719 105 R 4.7538 8.9760 120.4648 53.9225 32.4133 177.1865 106 G 3.9698 9.5949 118.4435 46.6923 0.0000 172.8759 107 I 4.2536 8.6785 117.0572 59.9827 37.9169 174.8893 108 A 4.3842 8.1840 126.0538 51.0055 18.2573 177.1340 109 I 3.1512 8.2385 123.3364 61.5659 38.6925 174.7169 110 E 4.5970 8.6666 128.3395 57.7027 31.3086 175.2106 111 A 4.9217 7.5138 117.9976 51.4768 23.1238 175.0643 112 I 5.2719 8.9022 119.5757 60.0830 41.4446 174.5995 113 Y 5.1299 9.6532 123.9012 56.1184 42.0135 174.4357 114 R 5.3455 9.2267 121.7331 54.6994 33.4009 174.2574 115 L 5.2465 9.3034 125.4290 53.1121 45.3991 176.2612 116 E 4.7696 9.4414 122.8081 54.7849 31.0880 175.6475 117 P 4.4166 0.0000 0.0000 66.0534 30.9653 179.0627 118 K 4.0605 8.1383 116.8456 59.9435 32.2390 178.1211 119 D 4.3972 8.2832 118.1693 55.2534 41.3240 177.1916 120 L 4.4047 7.5528 118.4573 54.1489 42.9798 177.5959 121 E 3.9235 7.5029 119.9681 59.1998 29.4191 178.2506 122 F 3.8803 8.0465 120.1727 61.5735 39.3085 176.5764 123 Y 3.0989 7.3392 115.8489 60.4727 37.4880 177.5000 124 Y 4.4306 6.9048 117.1594 61.2326 37.9897 178.3276 125 D 4.4049 8.4811 122.6813 57.7207 40.9248 179.5735 126 K 3.8259 7.2060 123.6272 59.6533 31.7263 181.0510 127 W 4.7972 8.3266 121.0381 59.4744 28.8257 178.2861 128 E 4.0445 8.6952 119.4582 59.4569 29.2108 178.7571 129 R 4.1213 8.2764 118.7603 59.5115 30.1148 178.3682 130 K 4.0621 8.4241 119.3898 59.2021 32.2250 178.4209 131 W 4.1419 8.4787 128.7269 60.8003 30.5400 177.6443 132 Y 4.1016 8.0163 116.5719 61.2606 37.2844 178.2898 133 S 4.3128 8.2790 114.2243 60.7845 62.9827 175.3966 134 D 4.6695 7.9822 119.9360 53.7221 41.3695 176.3074 135 G 3.5748 7.7080 107.3575 46.6515 0.0000 172.9946 136 H 2.0000 7.3897 112.8442 56.2138 26.7016 176.1230 137 K 4.3503 7.1888 119.9201 52.6167 32.9742 178.3943 138 D 5.1289 8.7720 124.1788 54.1834 41.8006 176.0023 139 I 4.1946 8.8982 123.1656 60.3554 39.0580 174.9295 140 N 5.3413 8.7819 125.9143 51.7866 38.1113 173.9004 141 N 4.1269 8.4014 127.6583 53.6219 37.7269 172.3249 142 P 4.4529 0.0000 0.0000 63.0250 32.6538 177.5879 143 K 4.9484 8.6002 120.1781 55.0332 34.9915 175.7448 144 I 3.9461 8.3371 123.8843 58.6764 39.1941 173.8480 145 P 4.7217 0.0000 0.0000 62.5991 32.1076 177.6283 146 V 3.7723 8.8879 122.7351 66.0707 31.3429 178.1730 147 K 3.7721 8.1516 118.8120 59.8788 31.9556 177.7961 148 Y 3.9456 7.9385 118.9931 60.6530 38.7810 177.9609 149 V 3.2932 7.7649 119.1511 66.2793 31.3299 178.0011 150 M 2.9361 7.6049 117.1934 57.7699 31.7596 178.0949 151 E 4.0557 7.8008 117.6652 58.0587 29.9224 177.5322 152 H 4.6583 7.8379 113.7586 54.5405 30.2067 174.2698 153 G 4.2251 7.5579 107.7429 45.0018 0.0000 172.9769 154 T 4.7190 8.7610 116.9545 61.5433 70.4224 174.5916 155 K 3.7288 8.7184 128.6355 56.3569 32.1775 176.2300 156 I 4.3256 8.6184 121.2982 61.1006 39.2443 175.3066 157 Y 4.1632 7.3636 129.3277 58.0775 38.6531 173.8402 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 8.33 4.36 0.00 3.84 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 3 H 7.83 4.12 0.00 3.28 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.30 0.00 2.20 2.10 0.00 3.21 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 5 D 8.36 4.56 0.00 2.68 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 6 L 8.07 3.98 0.00 1.91 1.67 0.86 0.41 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 7 N 7.99 4.35 0.00 2.80 2.86 0.00 0.00 6.58 7.05 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 8 K 8.01 3.96 0.00 1.90 2.00 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 9 L 7.94 4.08 0.00 1.79 1.87 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.03 4.10 0.00 1.83 1.75 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.03 4.12 0.00 2.01 2.24 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 2.33 2.36 0.00 12 L 8.26 4.23 0.00 1.99 1.75 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.36 4.13 0.00 3.68 3.22 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 14 P 0.00 4.28 0.00 2.38 2.40 0.00 4.00 0.00 0.00 3.98 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 15 H 8.20 4.26 0.00 3.35 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.27 3.60 1.13 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 1.36 0.52 0.48 0.00 0.00 17 Q 7.89 3.65 0.00 1.83 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 18 E 8.25 3.90 0.00 2.18 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 2.29 2.46 0.00 19 Y 7.86 4.06 0.00 3.06 2.98 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 20 Q 8.04 3.66 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 21 D 8.27 4.25 0.00 2.84 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 22 L 7.78 3.90 0.00 1.81 1.65 0.93 1.17 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 23 A 7.75 3.78 1.11 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 24 L 7.95 4.00 0.00 1.80 1.75 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.93 3.95 0.00 1.84 2.01 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.41 7.81 26 H 7.53 4.83 0.00 3.14 3.23 0.00 5.77 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.91 3.81 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 0.00 0.00 0.00 28 I 7.86 4.34 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.82 0.00 0.00 29 N 8.69 4.32 0.00 2.68 2.85 0.00 0.00 6.88 8.06 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 30 D 7.62 4.36 0.00 2.61 2.47 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 31 I 8.43 3.71 1.69 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.56 0.00 0.00 32 F 8.00 5.03 0.00 3.26 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 33 Q 7.40 4.60 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.33 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 34 D 9.51 4.53 0.00 2.77 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 35 N 8.35 4.23 0.00 2.90 2.85 0.00 0.00 6.84 7.61 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 36 G 8.00 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 37 G 8.15 3.79 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 0.00 0.00 0.00 38 K 7.93 4.09 0.00 1.81 1.60 0.00 1.49 0.00 0.00 0.61 0.00 0.00 2.20 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.03 1.27 7.81 39 L 8.46 3.98 0.00 1.69 1.88 0.90 0.55 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 40 L 7.88 3.83 0.00 1.66 1.75 0.73 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.69 3.96 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 42 V 7.81 3.54 2.24 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 0.95 0.00 0.00 1.07 0.00 0.00 43 L 8.15 3.95 0.00 1.83 1.77 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.04 4.01 0.00 1.66 1.67 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.55 3.87 1.64 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.39 0.60 0.00 0.00 46 T 7.85 4.12 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 1.16 0.00 0.00 47 G 8.02 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 48 L 7.30 4.52 0.00 1.50 1.55 0.61 0.48 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 49 T 8.68 4.77 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 50 V 8.31 4.75 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 0.77 0.00 0.00 0.98 0.00 0.00 51 L 8.43 4.40 0.00 1.74 1.66 0.92 0.67 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 52 P 0.00 4.33 0.00 2.18 2.12 0.00 3.78 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 1.97 1.94 0.00 *56 G 7.78 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 0.00 0.00 0.00 57 N 8.15 4.90 0.00 2.66 2.77 0.00 0.00 6.83 8.08 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 58 D 8.09 4.88 0.00 2.60 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 59 A 8.88 4.89 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 60 V 9.20 5.70 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 0.71 0.00 0.00 0.96 0.00 0.00 61 D 8.68 5.09 0.00 2.82 2.96 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 62 N 8.98 4.39 0.00 2.85 3.01 0.00 0.00 5.82 7.26 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 63 A 8.28 4.38 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 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 65 Q 8.52 4.06 0.00 2.16 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.06 1.52 0.00 66 E 8.58 4.84 0.00 1.98 1.74 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 2.24 2.45 0.00 67 Y 9.03 4.97 0.00 2.80 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 68 E 8.48 4.78 0.00 1.43 1.12 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 1.47 1.47 0.00 69 L 7.54 5.04 0.00 1.69 1.49 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.96 4.77 0.00 1.13 1.81 0.00 1.79 0.00 0.00 1.43 0.00 0.00 2.26 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.81 1.46 7.81 71 S 8.77 5.61 0.00 3.96 3.76 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 72 I 8.90 4.54 1.02 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.13 0.39 0.00 0.00 73 N 8.63 5.30 0.00 2.81 2.69 0.00 0.00 6.74 7.98 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 74 I 8.88 4.28 1.88 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 1.31 1.87 0.98 0.00 0.00 75 D 8.28 4.57 0.00 2.98 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 76 L 7.89 4.49 0.00 1.77 1.68 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.51 4.64 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 1.15 0.00 0.00 78 K 8.53 4.47 0.00 1.48 1.77 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 0.99 7.81 79 G 7.58 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 0.00 0.00 0.00 0.00 80 F 9.34 4.63 0.00 3.32 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 81 S 8.99 4.49 0.00 3.86 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 82 T 9.61 4.68 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 83 H 7.78 4.85 0.00 3.25 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.78 4.23 0.00 3.21 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.11 5.10 0.00 3.10 3.37 0.00 5.76 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.64 4.12 0.00 2.03 1.71 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.03 0.00 87 N 8.20 4.46 0.00 1.86 2.93 0.00 0.00 6.26 7.76 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 88 P 0.00 3.93 0.00 1.66 1.99 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.33 0.00 89 V 7.29 3.39 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 0.94 0.00 0.00 0.77 0.00 0.00 90 I 7.60 3.40 1.59 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.14 0.04 0.00 0.00 91 I 7.66 3.62 1.77 0.00 0.00 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 1.82 0.73 0.84 0.00 0.00 92 A 7.83 3.89 1.27 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 0.00 0.00 93 K 7.55 4.05 0.00 1.85 1.85 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.51 7.81 94 Y 7.93 4.71 0.00 2.99 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 95 R 7.91 4.09 0.00 1.69 2.01 0.00 3.10 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.25 0.00 96 Q 7.99 4.25 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 97 V 7.06 4.74 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 0.87 0.00 0.00 1.01 0.00 0.00 98 P 0.00 4.95 0.00 2.36 2.34 0.00 3.30 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 1.83 2.09 0.00 99 W 9.53 5.28 0.00 3.11 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 0.00 100 I 8.77 4.84 1.80 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.89 0.00 0.00 101 F 9.60 5.13 0.00 2.96 2.54 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 0.00 0.00 0.00 0.00 102 A 9.48 5.36 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 0.00 103 I 9.11 5.14 2.07 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 1.02 0.00 0.00 104 Y 9.41 5.14 0.00 3.09 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 0.00 105 R 8.98 4.75 0.00 1.77 1.88 0.00 3.32 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 106 G 9.59 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 0.00 107 I 8.68 4.25 1.92 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 1.38 0.80 0.91 0.00 0.00 108 A 8.18 4.38 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 0.00 109 I 8.24 3.15 1.34 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.31 0.78 0.00 0.00 110 E 8.67 4.60 0.00 1.98 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 2.27 2.31 0.00 111 A 7.51 4.92 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 0.00 112 I 8.90 5.27 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.99 0.00 0.00 113 Y 9.65 5.13 0.00 3.01 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 0.00 114 R 9.23 5.35 0.00 1.92 1.85 0.00 3.34 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 115 L 9.30 5.25 0.00 1.95 1.65 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.44 4.77 0.00 2.13 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 2.47 2.48 0.00 117 P 0.00 4.42 0.00 2.25 2.46 0.00 3.68 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 2.20 2.39 0.00 118 K 8.14 4.06 0.00 2.00 2.11 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.56 7.81 119 D 8.28 4.40 0.00 2.79 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 0.00 120 L 7.55 4.40 0.00 1.16 0.48 0.25 0.44 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 0.00 121 E 7.50 3.92 0.00 2.00 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 0.00 2.35 2.64 0.00 122 F 8.05 3.88 0.00 2.99 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 0.00 123 Y 7.34 3.10 0.00 2.17 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 0.00 124 Y 6.90 4.43 0.00 3.05 2.93 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 0.00 125 D 8.48 4.40 0.00 2.62 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 0.00 126 K 7.21 3.83 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 127 W 8.33 4.80 0.00 3.51 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 0.00 128 E 8.70 4.04 0.00 2.32 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 0.00 2.55 2.62 0.00 129 R 8.28 4.12 0.00 2.12 1.99 0.00 3.17 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 130 K 8.42 4.06 0.00 2.09 2.12 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.60 7.81 131 W 8.48 4.14 0.00 3.52 3.15 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 0.00 132 Y 8.02 4.10 0.00 3.30 3.04 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 0.00 133 S 8.28 4.31 0.00 3.92 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 0.00 134 D 7.98 4.67 0.00 2.63 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 0.00 135 G 7.71 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 0.00 136 H 7.39 2.00 0.00 2.82 2.54 0.00 5.84 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.19 4.35 0.00 1.76 1.60 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.01 7.81 138 D 8.77 5.13 0.00 2.66 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 0.00 139 I 8.90 4.19 1.73 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.86 0.00 0.00 140 N 8.78 5.34 0.00 2.69 2.72 0.00 0.00 7.38 7.79 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 0.00 141 N 8.40 4.13 0.00 2.73 2.70 0.00 0.00 7.17 6.99 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 0.00 142 P 0.00 4.45 0.00 1.87 1.79 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.91 0.00 143 K 8.60 4.95 0.00 1.69 1.81 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.41 7.81 144 I 8.34 3.95 2.02 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 0.71 0.75 0.58 0.00 0.00 145 P 0.00 4.72 0.00 2.29 2.05 0.00 3.50 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 2.28 2.17 0.00 146 V 8.89 3.77 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 1.09 0.00 0.00 0.75 0.00 0.00 147 K 8.15 3.77 0.00 1.87 1.85 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.55 7.81 148 Y 7.94 3.95 0.00 3.12 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 0.00 149 V 7.76 3.29 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 0.46 0.00 0.00 -0.11 0.00 0.00 150 M 7.60 2.94 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 1.95 0.00 151 E 7.80 4.06 0.00 1.68 1.71 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 2.20 2.33 0.00 152 H 7.84 4.66 0.00 2.66 3.02 0.00 5.63 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.56 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 0.00 154 T 8.76 4.72 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 1.22 0.00 0.00 155 K 8.72 3.73 0.00 1.40 1.54 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.13 0.88 7.81 156 I 8.62 4.33 1.86 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 1.25 0.82 0.94 0.00 0.00 157 Y 7.36 4.16 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.