NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5470 8.2629 120.6062 55.5068 33.6545 173.5007 2 K 4.8409 8.0021 126.6642 53.1266 33.7681 172.0592 3 I 4.9806 9.3858 127.3837 58.4822 40.9567 173.9171 4 L 5.0474 8.9991 128.6495 53.6235 44.2019 175.0316 5 V 4.9129 8.9115 126.8051 61.4359 33.7452 174.2266 6 I 5.1296 9.0194 130.0865 59.9745 39.3453 174.6100 7 Q 4.7611 9.4902 127.6399 54.5912 30.6661 176.5843 8 G 3.9285 8.1632 113.4987 43.4487 0.0000 171.5208 9 P 4.4365 0.0000 0.0000 63.8961 31.6555 177.7956 10 N 4.1980 8.9693 115.1328 54.7305 38.3057 176.6614 11 L 3.4966 7.8975 118.4074 57.6699 41.7909 178.9785 12 N 4.4680 8.0117 114.1781 55.1881 37.7707 175.3179 13 M 4.3635 8.8162 119.8418 55.2052 32.2900 175.7271 14 L 4.2741 7.4179 120.3303 55.5991 42.1034 177.4377 15 G 4.0275 9.0536 114.4816 46.7028 0.0000 174.9553 *16 H 4.5184 8.1884 117.2121 56.9302 28.5691 181.1263 17 R 3.7821 7.2256 117.7680 58.8577 29.5156 179.5085 *23 G 3.7466 7.6028 108.7820 45.9060 0.0000 173.4595 24 M 4.4491 8.2444 116.6298 54.0969 29.8684 174.3156 25 V 4.5998 7.2023 119.9708 60.9066 35.4127 175.3239 26 T 4.8711 9.4958 119.3661 59.7221 71.6047 175.7789 27 L 3.7192 8.2103 123.1410 58.3391 41.9427 178.7755 28 D 4.1763 7.9320 118.2312 57.6910 40.7821 178.8409 29 Q 4.0731 7.8729 118.0470 58.8983 28.6192 179.0203 30 I 3.5949 7.3874 120.8397 64.4880 37.0967 178.0823 31 H 3.7960 7.7974 117.3052 58.7618 28.3836 177.7871 32 E 4.0693 8.3261 119.3402 58.9799 29.2680 179.1867 33 I 3.6853 7.7422 121.2543 64.6316 37.2231 177.7239 34 M 4.3438 7.9105 120.6854 58.0855 31.7381 178.4802 35 Q 4.0943 8.2088 117.6379 59.8771 29.1160 179.7358 36 T 3.8866 8.4282 116.5413 66.9994 68.5563 176.3295 37 F 4.1446 8.6588 122.6327 61.0814 39.4689 177.4100 38 V 3.5938 8.2481 120.3623 66.6257 31.3320 178.6709 39 K 3.9736 8.7860 123.2869 59.6335 31.5924 180.0676 40 Q 4.4956 7.9752 118.4778 58.6343 29.2601 177.7027 41 G 3.5272 7.9332 103.9620 44.9331 0.0000 172.4503 42 N 4.1706 7.8139 117.3791 54.1295 38.1357 173.3767 43 L 4.2767 7.2364 114.4119 53.1816 42.3618 177.3245 44 D 4.4662 8.4604 123.2203 54.2863 39.2945 174.0907 45 V 5.1272 7.5812 122.8575 60.3838 34.4478 173.6361 46 E 4.2910 8.8225 128.6499 55.9107 30.4950 175.7319 47 L 5.0208 8.3925 124.4207 52.9074 44.3922 175.5335 48 E 4.3542 8.6523 122.2186 54.3093 33.1297 174.1399 49 F 5.4632 8.4650 124.3627 55.8315 41.5634 174.8957 50 F 5.0111 9.3512 124.8157 56.7263 42.7133 172.8459 51 Q 5.0454 8.2721 126.4124 54.7660 31.6904 174.0681 52 T 4.5212 8.6604 118.5563 60.9990 70.7657 172.8635 53 N 4.7339 8.9773 122.9735 53.1673 38.9381 175.1486 54 F 4.8255 8.1923 118.7619 55.3548 41.0811 175.4760 55 E 3.7919 8.9768 124.8961 59.5642 29.3178 178.9104 56 G 3.8104 8.2791 104.8550 48.1860 0.0000 175.1132 57 E 4.2461 8.2985 119.7885 58.8072 29.5306 179.3283 58 I 3.9887 7.8196 120.3875 64.2833 37.2848 178.2981 59 I 3.6882 7.7853 120.6339 64.5327 36.9142 177.9776 60 D 4.3584 8.6940 120.0071 57.5349 40.4646 179.1322 61 K 3.8395 7.6105 118.4822 59.3653 32.4797 178.6733 62 I 3.7724 7.9109 120.2960 64.4704 36.7192 178.4501 63 Q 4.0149 8.1483 118.8330 58.9377 28.2533 178.6852 64 E 3.9119 8.1792 119.2297 58.8568 29.8454 179.0024 65 S 4.0171 7.7203 114.7055 61.1710 62.7771 176.3746 66 V 3.7351 7.0747 120.6059 63.7485 31.5675 175.7724 67 G 4.0292 8.1901 107.0410 46.0304 0.0000 173.2955 68 S 3.4643 8.9670 111.9707 57.7690 63.9035 177.6905 69 D 4.3150 8.0708 133.3275 56.1165 41.1453 175.7015 70 Y 4.8307 8.2645 118.2046 57.0082 38.7426 175.0625 71 E 4.5203 8.8526 124.1247 57.2323 30.9239 176.1335 72 G 4.2872 7.7868 104.8110 45.3415 0.0000 172.0814 73 I 5.1960 8.8522 121.4442 59.3638 40.8221 174.6882 74 I 4.9479 9.0261 127.4505 59.8000 39.6979 174.6224 75 I 5.0591 8.9022 125.8845 59.8096 42.1331 173.1797 76 N 5.0510 9.2970 128.3851 50.6228 38.6914 172.9028 77 P 4.4423 0.0000 0.0000 62.8253 33.1172 177.8768 78 G 3.6784 8.4736 107.7891 45.9083 0.0000 175.5955 79 A 4.3552 8.5442 120.5248 55.4461 18.1443 179.1481 80 F 4.7490 7.8499 115.1675 59.7367 38.9231 177.7155 81 S 4.4312 8.4319 117.6138 61.4378 62.4567 176.1304 82 H 4.6053 7.7162 117.1633 57.5898 28.8176 176.2246 83 T 4.7216 7.8811 106.5121 61.0811 70.5004 174.7208 84 S 4.4517 8.5276 117.9917 56.7271 61.2549 173.8551 85 I 3.3790 7.8759 128.8483 63.6121 36.9488 177.4483 86 A 3.9001 7.8077 121.0440 55.4114 18.3454 179.5191 87 I 3.6221 7.8164 117.9427 64.3636 37.1136 178.6808 88 A 3.9645 7.8156 121.5639 55.4220 18.0961 179.1533 89 D 4.3278 8.2215 116.1889 57.6227 41.1281 179.1399 90 A 4.0967 8.1307 121.0146 55.4142 18.4208 179.5576 91 I 3.6472 8.1798 118.6987 65.1023 36.9127 178.3029 92 M 4.2187 7.9332 118.1203 57.2326 32.2663 177.5862 93 L 4.4223 7.9061 117.6131 54.7327 41.9649 178.0351 94 A 4.0645 7.7032 121.7357 52.8989 19.1787 177.6779 95 G 3.9875 7.4352 104.6874 45.2393 0.0000 172.9840 96 K 4.3904 7.3692 114.7968 55.4533 35.0240 174.1899 97 P 4.3046 0.0000 0.0000 63.4880 32.3219 175.1633 98 V 4.9314 8.5304 123.8257 61.0563 34.7171 173.9125 99 I 4.7457 8.6546 128.1435 59.4660 40.2755 174.0472 100 E 4.8215 8.7600 128.4638 55.3056 30.9420 174.9398 101 V 4.7441 8.4976 127.1313 61.3490 34.0242 174.3846 102 H 4.9218 8.7948 123.5674 54.0265 32.1382 174.3538 103 L 4.0747 8.9258 123.4011 58.0124 42.4260 177.9247 104 T 4.5384 7.7683 106.4309 60.3588 70.6845 174.2699 105 N 4.5964 8.1024 120.5033 51.6949 37.5705 174.9839 106 I 3.8348 7.9163 118.9439 62.9151 38.0756 178.7166 107 Q 3.9220 7.5412 119.5999 58.4132 28.5391 177.2999 108 A 4.6109 8.2976 117.9732 51.7362 20.0817 177.2745 109 R 4.6447 7.2258 116.2837 56.0733 31.2113 175.9063 110 E 3.9314 8.1362 122.4218 56.7166 30.4540 177.0889 111 E 3.7523 8.7281 122.2317 59.5430 29.4381 179.3701 112 F 4.3275 7.5444 110.5379 58.6948 37.9027 175.6586 113 R 3.7798 7.0417 119.4586 56.4956 30.2175 177.6895 114 K 4.1609 7.6124 117.6268 58.6931 32.3785 176.9276 115 N 4.3113 7.7783 117.7485 53.6998 39.8953 174.8105 116 S 4.7153 8.2455 116.8094 56.1118 64.9602 174.3322 117 Y 4.3188 8.5907 128.1235 61.5542 37.6556 178.5233 118 T 4.1472 8.2502 110.4294 64.7771 68.4783 176.4167 119 G 3.5935 8.3424 107.8456 47.6877 0.0000 175.1418 120 A 4.1450 7.7680 121.6311 54.6723 18.3102 179.3346 121 A 4.1354 7.3957 117.1473 54.4294 19.0842 178.2364 122 C 4.2250 7.6395 114.7925 59.7692 28.8137 175.4976 123 G 3.6207 8.3453 111.4739 48.4148 0.0000 174.0136 124 G 4.1091 7.0636 104.2954 45.6421 0.0000 172.9063 125 V 5.0515 8.4571 120.6823 60.9393 34.6846 174.4385 126 I 4.7476 8.8547 129.0320 59.7344 39.4529 174.5571 127 M 5.0712 8.8291 123.2846 54.6935 34.2511 174.8907 128 G 3.6943 8.9046 109.3184 46.4669 0.0000 173.9419 129 F 4.5249 8.1943 115.3269 55.6417 40.9024 178.0255 130 G 3.8001 8.1821 110.7673 45.9300 0.0000 173.6957 131 P 4.5652 0.0000 0.0000 65.4410 31.4069 177.9395 132 L 3.8630 8.2145 119.1268 58.4881 41.6713 179.1972 133 G 3.6757 8.0033 104.5948 47.7623 0.0000 175.0958 134 Y 4.1556 8.5710 119.2842 61.0676 37.6760 178.0276 135 N 3.7542 8.1356 116.7643 56.6513 38.6025 176.8561 136 M 3.7116 8.1321 119.9284 58.5631 31.9950 178.9581 137 A 3.8669 8.0602 120.6637 55.0952 18.5997 179.2788 138 L 3.9264 7.9541 117.1866 58.5140 41.5822 179.2362 139 M 4.1383 8.3008 117.7776 58.8020 32.0908 178.2167 140 A 3.9785 7.8523 120.5369 55.2594 18.6301 178.9122 141 M 3.9107 8.5363 117.1318 59.0269 32.2585 178.1458 142 V 3.5993 7.9884 118.2869 66.5094 31.6386 177.5800 143 N 4.3421 7.9319 115.7575 56.6117 38.4126 177.5744 144 I 3.7821 7.9546 121.0382 64.2789 37.1741 178.5509 145 L 4.0517 8.2445 119.8432 57.5615 41.4769 179.2591 146 A 3.9924 8.1336 120.8182 55.1468 18.3193 179.4053 147 E 3.8502 8.0641 117.5341 59.6567 29.8096 178.3802 148 M 4.0687 8.3636 119.2701 58.8758 30.7320 178.9317 149 K 3.9463 8.1529 117.8382 59.5752 32.3365 179.2726 150 A 4.2251 7.9739 120.9002 54.9419 18.2029 179.5802 151 F 4.3225 8.2110 119.1601 61.6495 39.3591 177.4991 152 Q 3.7880 8.3223 116.9174 57.9268 28.1844 177.8184 153 E 4.3678 7.3279 115.8433 57.2048 30.4739 177.8526 154 A 4.1230 7.4731 120.1074 55.4313 18.5478 179.3977 155 Q 4.0043 7.9582 116.9323 58.5391 28.7386 178.5649 156 K 4.0173 7.2526 114.4177 58.3582 32.4972 177.0012 157 N 4.6448 7.8730 116.8954 54.0587 39.7642 174.4183 158 N 4.5375 9.0506 121.7522 53.5680 39.2820 173.5286 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.26 4.55 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 2 K 8.00 4.84 0.00 1.48 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 1.36 7.81 3 I 9.39 4.98 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.97 1.02 0.00 0.00 4 L 9.00 5.05 0.00 1.76 1.50 1.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.91 4.91 2.31 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 1.14 0.00 0.00 0.94 0.00 0.00 6 I 9.02 5.13 1.99 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 1.39 0.73 1.13 0.00 0.00 7 Q 9.49 4.76 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 8 G 8.16 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 9 P 0.00 4.44 0.00 1.88 1.79 0.00 3.68 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 10 N 8.97 4.20 0.00 2.89 2.93 0.00 0.00 7.19 6.77 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 11 L 7.90 3.50 0.00 1.89 1.73 1.07 0.71 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 12 N 8.01 4.47 0.00 2.79 3.02 0.00 0.00 6.03 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 13 M 8.82 4.36 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 14 L 7.42 4.27 0.00 1.71 1.73 0.91 0.94 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 15 G 9.05 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 *16 H 8.19 4.52 0.00 2.94 2.97 0.00 7.22 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.23 3.78 0.00 1.86 1.80 0.00 3.27 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 *23 G 7.60 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 0.00 0.00 0.00 24 M 8.24 4.45 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.20 4.60 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 1.05 0.00 0.00 0.93 0.00 0.00 26 T 9.50 4.87 4.17 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 0.00 0.00 1.23 0.00 0.00 27 L 8.21 3.72 0.00 1.81 1.58 0.64 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.93 4.18 0.00 2.64 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 29 Q 7.87 4.07 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 I 7.39 3.59 1.63 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 0.45 0.00 0.00 31 H 7.80 3.80 0.00 2.69 1.53 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.33 4.07 0.00 2.17 2.18 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 2.53 2.36 0.00 33 I 7.74 3.69 2.15 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 1.54 0.84 0.94 0.00 0.00 34 M 7.91 4.34 0.00 2.26 2.50 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 2.92 2.53 0.00 35 Q 8.21 4.09 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 36 T 8.43 3.89 4.52 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 1.26 0.00 0.00 37 F 8.66 4.14 0.00 3.21 3.33 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 38 V 8.25 3.59 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 1.00 0.00 0.00 1.13 0.00 0.00 39 K 8.79 3.97 0.00 1.76 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 Q 7.98 4.50 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 41 G 7.93 3.53 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 0.00 42 N 7.81 4.17 0.00 2.79 2.82 0.00 0.00 7.13 7.33 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 43 L 7.24 4.28 0.00 1.74 1.59 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.46 4.47 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 45 V 7.58 5.13 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 0.94 0.00 0.00 0.96 0.00 0.00 46 E 8.82 4.29 0.00 1.90 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 2.30 2.34 0.00 47 L 8.39 5.02 0.00 1.20 0.99 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.65 4.35 0.00 1.99 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 2.23 2.29 0.00 49 F 8.47 5.46 0.00 2.90 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 50 F 9.35 5.01 0.00 3.06 2.84 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 51 Q 8.27 5.05 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 52 T 8.66 4.52 3.74 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 1.43 0.00 0.00 53 N 8.98 4.73 0.00 2.68 2.68 0.00 0.00 6.82 7.45 0.00 0.00 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 F 8.19 4.83 0.00 3.13 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 55 E 8.98 3.79 0.00 1.16 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 2.15 1.75 0.00 56 G 8.28 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 57 E 8.30 4.25 0.00 2.24 2.37 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 2.49 2.40 0.00 58 I 7.82 3.99 2.12 0.00 0.00 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 1.78 1.09 1.04 0.00 0.00 59 I 7.79 3.69 2.01 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 1.51 1.04 0.90 0.00 0.00 60 D 8.69 4.36 0.00 2.78 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 61 K 7.61 3.84 0.00 1.63 1.77 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.77 1.07 7.81 62 I 7.91 3.77 1.85 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 1.51 0.97 0.89 0.00 0.00 63 Q 8.15 4.01 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 64 E 8.18 3.91 0.00 2.01 1.86 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 2.27 2.24 0.00 65 S 7.72 4.02 0.00 3.92 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 66 V 7.07 3.74 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 0.83 0.00 0.00 1.00 0.00 0.00 67 G 8.19 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 68 S 8.97 3.46 0.00 3.95 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.07 4.32 0.00 2.59 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.26 4.83 0.00 2.93 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 71 E 8.85 4.52 0.00 1.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 72 G 7.79 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 0.00 0.00 0.00 0.00 73 I 8.85 5.20 1.89 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 1.19 0.70 0.94 0.00 0.00 74 I 9.03 4.95 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 1.06 0.00 0.00 75 I 8.90 5.06 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.86 1.02 0.00 0.00 76 N 9.30 5.05 0.00 2.90 2.97 0.00 0.00 7.00 8.33 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 77 P 0.00 4.44 0.00 2.32 2.25 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.18 0.00 78 G 8.47 3.68 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 0.00 0.00 0.00 79 A 8.54 4.36 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 80 F 7.85 4.75 0.00 3.23 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 81 S 8.43 4.43 0.00 3.73 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 82 H 7.72 4.61 0.00 3.25 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.88 4.72 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 1.33 0.00 0.00 84 S 8.53 4.45 0.00 3.79 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 85 I 7.88 3.38 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.29 0.73 0.00 0.00 86 A 7.81 3.90 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 87 I 7.82 3.62 1.91 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 1.48 0.48 0.98 0.00 0.00 88 A 7.82 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.33 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 90 A 8.13 4.10 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 91 I 8.18 3.65 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.92 0.00 0.00 92 M 7.93 4.22 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 93 L 7.91 4.42 0.00 1.68 1.68 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.70 4.06 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 95 G 7.44 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 96 K 7.37 4.39 0.00 1.79 1.89 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.44 7.81 97 P 0.00 4.30 0.00 2.12 2.07 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 98 V 8.53 4.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 99 I 8.65 4.75 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 1.11 0.71 0.94 0.00 0.00 100 E 8.76 4.82 0.00 2.09 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 0.00 2.08 2.25 0.00 101 V 8.50 4.74 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 -0.18 0.00 0.00 0.62 0.00 0.00 102 H 8.79 4.92 0.00 3.13 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.93 4.07 0.00 1.65 1.76 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.77 4.54 4.20 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 1.20 0.00 0.00 105 N 8.10 4.60 0.00 2.62 2.67 0.00 0.00 6.63 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.92 3.83 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.72 0.00 0.00 107 Q 7.54 3.92 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 108 A 8.30 4.61 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 0.00 109 R 7.23 4.64 0.00 1.63 1.59 0.00 3.16 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 110 E 8.14 3.93 0.00 1.16 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 2.23 2.16 0.00 111 E 8.73 3.75 0.00 1.96 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 2.37 2.37 0.00 112 F 7.54 4.33 0.00 3.15 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 0.00 113 R 7.04 3.78 0.00 1.64 1.79 0.00 3.04 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.30 0.00 114 K 7.61 4.16 0.00 1.78 1.76 0.00 1.78 0.00 0.00 1.42 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.21 7.81 115 N 7.78 4.31 0.00 2.55 2.60 0.00 0.00 6.65 7.63 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 0.00 116 S 8.25 4.72 0.00 3.88 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 0.00 117 Y 8.59 4.32 0.00 3.09 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 0.00 118 T 8.25 4.15 4.33 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 1.31 0.00 0.00 119 G 8.34 3.59 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 0.00 120 A 7.77 4.15 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 0.00 0.00 121 A 7.40 4.14 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 0.00 122 C 7.64 4.23 0.00 3.16 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 0.00 123 G 8.35 3.62 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 0.00 0.00 0.00 124 G 7.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.46 5.05 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 0.95 0.00 0.00 0.95 0.00 0.00 126 I 8.85 4.75 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.83 0.00 0.00 127 M 8.83 5.07 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 128 G 8.90 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 0.00 129 F 8.19 4.52 0.00 3.03 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 0.00 130 G 8.18 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 0.00 0.00 0.00 131 P 0.00 4.57 0.00 2.24 2.18 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 132 L 8.21 3.86 0.00 1.80 1.99 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.00 3.68 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 0.00 0.00 0.00 134 Y 8.57 4.16 0.00 3.17 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 0.00 135 N 8.14 3.75 0.00 2.64 1.82 0.00 0.00 6.99 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 0.00 136 M 8.13 3.71 0.00 1.74 2.05 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 137 A 8.06 3.87 1.35 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 0.00 138 L 7.95 3.93 0.00 1.85 1.96 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 139 M 8.30 4.14 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 140 A 7.85 3.98 1.35 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 0.00 141 M 8.54 3.91 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 142 V 7.99 3.60 2.28 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 1.01 0.00 0.00 1.03 0.00 0.00 143 N 7.93 4.34 0.00 2.89 2.87 0.00 0.00 7.15 7.18 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 0.00 144 I 7.95 3.78 1.89 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 1.52 0.68 0.92 0.00 0.00 145 L 8.24 4.05 0.00 1.95 1.73 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.13 3.99 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 0.00 0.00 147 E 8.06 3.85 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 148 M 8.36 4.07 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 149 K 8.15 3.95 0.00 2.11 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 150 A 7.97 4.23 1.47 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 0.00 0.00 151 F 8.21 4.32 0.00 3.05 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.32 3.79 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 153 E 7.33 4.37 0.00 2.03 1.97 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 2.25 2.59 0.00 154 A 7.47 4.12 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 0.00 0.00 155 Q 7.96 4.00 0.00 1.73 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 156 K 7.25 4.02 0.00 1.85 1.85 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.30 7.81 157 N 7.87 4.64 0.00 3.00 2.88 0.00 0.00 6.72 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.05 4.54 0.00 2.45 2.60 0.00 0.00 7.04 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 * Residues marked with a * may have inaccurate shift predictions.