NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2316 8.3144 121.7897 55.6457 33.7459 175.1773 2 E 3.8662 8.4561 125.6281 54.3948 30.3901 175.0987 3 S 4.5293 8.8738 122.6128 57.9399 66.3520 174.7142 4 A 4.0437 8.5647 124.8737 55.2827 18.1717 180.0559 5 A 3.9364 7.9707 118.4894 55.3998 18.6220 179.6102 6 A 4.0068 8.0304 119.3532 55.1698 18.3905 179.7676 7 K 4.1621 8.5950 119.9950 59.0083 32.2238 178.9167 8 F 4.0760 8.5278 121.1317 61.3071 39.4471 177.0304 9 E 4.1143 8.4954 118.3418 59.3035 28.9845 179.4631 10 R 3.8848 7.8351 117.9639 59.6140 30.3513 178.3033 11 Q 3.9312 7.9160 116.2455 57.8531 28.9762 176.4098 12 H 4.4957 8.2358 113.6006 53.6411 30.8043 172.6883 13 M 4.7692 7.4869 119.1392 54.1624 33.9772 176.6364 14 D 4.7802 9.0398 120.9591 53.2201 42.7032 174.8890 15 S 4.9890 7.2485 116.4361 58.9210 65.6825 175.1859 16 G 4.2242 7.8555 111.2269 45.0453 0.0000 176.7890 17 N 5.0713 8.9835 114.0264 50.8889 42.8605 174.0695 18 S 3.7283 8.2828 116.8066 57.5169 63.7154 173.9756 19 P 4.1399 0.0000 0.0000 62.0622 32.0338 174.7545 *22 S 4.4150 7.8926 110.4207 58.9565 64.9865 175.5058 23 S 4.1346 8.1203 119.8137 60.0450 63.8015 175.1788 24 N 4.7209 8.1222 116.5922 53.4159 39.0930 175.8061 25 Y 4.0465 8.2436 121.0792 61.2739 38.7933 177.6282 26 C 4.0647 8.3497 117.1093 60.0216 37.0887 175.9524 27 N 4.4991 8.1573 117.6125 56.4256 38.1542 177.2777 28 L 3.9995 8.0396 120.3159 57.5180 41.6982 179.5077 29 M 3.6309 7.7541 118.9469 58.5300 31.8631 178.6830 30 M 4.1934 8.3750 119.0137 58.2183 31.9541 178.5309 31 C 4.2516 7.7468 120.2245 61.8838 31.6678 174.8952 32 C 3.9426 7.8809 119.3597 62.7975 31.1228 174.9549 33 R 4.1407 8.2605 114.5223 56.2610 29.4791 176.5115 34 K 3.8451 7.7036 115.9262 58.5752 29.6561 176.1806 35 M 4.6546 8.7602 114.9266 55.2951 32.6543 177.9302 36 T 4.7339 7.5749 108.6170 60.6389 70.8943 173.6797 37 Q 3.9866 8.0952 122.3998 57.2403 28.7379 178.1579 38 G 3.8515 9.3786 111.1881 46.0607 0.0000 172.8287 39 K 3.7535 6.8129 117.8825 55.5483 35.4672 173.0314 40 C 4.9580 8.5101 121.9033 55.2547 41.1818 173.5106 41 K 4.1324 8.5924 126.4816 55.8581 31.8599 174.2556 42 P 4.4791 0.0000 0.0000 65.3335 31.5451 175.8982 43 V 4.9305 7.5389 117.5635 61.3352 34.9837 173.6398 44 N 4.7852 9.2152 124.6290 52.6068 42.6166 172.8620 45 T 4.7932 7.9822 121.9170 61.7289 71.2498 173.1084 46 F 4.7189 8.8620 124.5050 55.6023 42.1974 174.6077 47 V 4.5374 9.0555 123.0063 61.5408 33.6143 175.3572 48 H 5.5885 8.9886 123.5516 55.1682 29.9426 175.0810 49 E 4.3425 8.0397 119.5575 55.0817 30.8013 176.0678 50 S 4.4400 8.2767 115.1420 58.0864 65.0097 174.8561 51 L 3.9706 7.8895 121.5681 58.6754 41.8937 179.5426 52 A 4.0993 7.9791 119.9118 55.1012 18.1128 179.2192 53 D 4.3300 7.7445 116.7769 57.4167 41.1307 178.8099 54 V 3.7892 8.0688 118.9090 65.9307 31.7032 178.2251 55 K 3.8176 8.5273 118.4708 59.3359 32.0094 178.8034 56 A 4.1042 7.8719 119.7399 54.0894 18.1594 179.5227 57 V 3.8016 7.8243 117.1804 65.6457 31.3694 176.6793 58 C 3.5182 7.6669 114.0345 57.8157 39.9116 174.0097 59 S 4.5572 7.3572 115.0364 58.1479 64.2171 174.8703 60 Q 4.5974 7.7167 122.0125 55.5382 28.1140 176.1641 61 K 4.1976 8.3185 126.7618 56.9327 33.2426 176.6336 62 K 3.9042 8.6368 129.8260 56.4769 32.7187 176.1591 63 V 4.5326 8.1639 119.5899 59.8004 36.6411 174.7024 64 T 4.2661 8.2319 118.6502 62.7646 69.6029 176.0764 65 C 4.7299 8.8185 123.8417 56.4847 40.9982 175.1196 66 K 3.8644 8.9447 121.1562 59.4991 31.6098 178.1548 67 N 4.6237 8.1285 114.1269 52.6726 37.1658 176.2599 68 G 3.9292 7.8825 106.4714 46.1138 0.0000 174.6323 69 Q 4.2136 8.4558 119.6383 56.1338 29.7161 176.0516 70 T 4.7368 8.1177 108.0875 61.3435 68.8626 173.6040 71 N 5.1003 7.6750 112.8135 53.8263 39.0879 175.7079 72 C 5.3395 7.7002 115.6191 56.9604 44.2927 172.6534 73 Y 5.0594 8.8789 118.1761 56.4644 42.4232 173.8607 74 Q 5.1685 9.0117 124.4480 53.9443 31.4733 175.1139 75 S 4.7791 9.0383 122.1131 58.4758 63.1372 174.8830 76 K 4.1483 9.4029 121.9791 59.0380 32.7915 176.8463 77 S 4.9557 7.7188 113.6898 56.3492 66.1434 173.8800 78 T 4.3532 8.1871 111.0238 61.8028 69.9505 173.9568 79 M 5.0291 9.2561 122.0314 53.4948 36.8190 175.0558 80 R 4.6624 9.5447 122.1413 56.1739 31.2812 175.7991 81 I 5.2125 8.9667 117.4840 59.2957 41.9172 174.3766 82 T 5.0448 8.8916 118.9097 61.8983 71.7832 172.6055 83 D 4.9736 9.4951 127.3015 53.0320 43.1295 174.2448 84 C 5.3913 9.1183 124.5226 55.5583 40.5682 173.1948 85 R 5.3736 8.6794 122.4003 54.1179 33.7322 175.4561 86 E 5.2832 9.1083 121.8656 56.3463 30.5451 175.6213 87 T 4.6106 8.0210 110.7091 59.5732 71.6933 174.4807 88 G 3.6736 8.6211 109.6235 48.7131 0.0000 175.8256 89 S 4.5657 7.6157 111.1015 58.8883 62.2707 173.6409 90 S 4.8132 7.4452 115.1177 56.2085 64.9008 173.3958 91 K 4.1261 8.7204 123.0827 55.5876 35.7644 173.5692 92 Y 4.4129 9.0082 127.6895 57.8864 39.0144 173.7400 93 P 2.9700 0.0000 0.0000 62.5743 31.6974 177.0158 94 N 4.6215 7.9932 119.6224 52.4092 37.0734 172.1742 95 C 4.4847 8.0577 115.9342 56.2716 42.2336 173.1180 96 A 4.7867 8.9123 127.2920 50.0857 21.6819 174.2987 97 Y 5.2624 9.1662 119.4781 56.0676 41.8141 174.9898 98 K 4.4250 9.6480 126.5757 55.8763 33.5790 175.8781 99 T 4.7977 8.6040 124.2958 63.7584 69.9762 174.6972 100 T 4.5424 8.5193 121.0787 62.3354 72.8297 172.6507 101 Q 4.6933 8.7520 128.7212 55.4149 30.0015 174.9245 102 V 4.5583 8.5266 124.4437 61.6817 35.9329 172.9839 103 E 5.0918 8.7720 124.1699 54.7836 31.3365 175.3927 104 K 4.7903 9.0704 123.4249 54.8048 37.4086 175.9261 105 H 5.0261 8.7691 119.3277 55.9127 30.1485 174.6877 106 I 4.9550 8.9779 114.1833 59.1939 41.2680 174.3018 107 I 4.9566 8.6593 124.5136 59.7171 40.0346 175.0789 108 V 4.7765 8.6097 119.6371 59.2561 35.7769 174.6192 109 A 4.8785 8.9686 125.8234 51.5142 20.0965 175.8682 110 C 5.2856 9.0057 119.7909 55.4626 39.5858 173.3547 111 G 3.8430 9.2296 107.8518 46.7779 0.0000 173.3754 112 G 4.2533 9.4580 106.7846 44.7141 0.0000 172.4850 113 K 4.7874 7.9845 117.1380 53.7967 35.1639 175.0583 114 P 4.2567 0.0000 0.0000 62.4829 31.7125 176.0527 115 S 4.5309 8.3051 114.2711 58.3087 62.4749 173.3705 116 V 4.4556 8.1909 120.3445 58.2974 35.5906 173.5936 117 P 4.4299 0.0000 0.0000 63.0671 30.7634 176.8687 118 V 4.3916 8.9410 117.7209 61.8176 34.0771 175.6683 119 H 5.1838 7.9250 116.0745 54.4256 33.5050 172.2419 120 F 4.7821 8.9366 124.4769 57.3961 39.4388 174.6757 121 D 4.5899 8.7718 127.2986 55.8609 42.0581 175.7601 122 A 4.4541 6.5206 118.8196 52.2376 21.7850 174.3399 123 S 5.1506 8.6666 112.4464 56.8339 65.9099 174.5386 124 V 4.0414 8.6553 122.0075 61.9478 31.2922 175.2114 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 K 8.31 4.23 0.00 1.74 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.46 3.87 0.00 2.13 1.82 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 2.40 2.37 0.00 3 S 8.87 4.53 0.00 4.10 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 4 A 8.56 4.04 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 5 A 7.97 3.94 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 6 A 8.03 4.01 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 7 K 8.59 4.16 0.00 1.88 2.02 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.31 7.81 8 F 8.53 4.08 0.00 3.24 3.25 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 9 E 8.50 4.11 0.00 2.29 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 2.55 2.79 0.00 10 R 7.84 3.88 0.00 1.82 2.09 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 11 Q 7.92 3.93 0.00 1.73 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.47 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 12 H 8.24 4.50 0.00 1.69 2.64 0.00 5.61 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 13 M 7.49 4.77 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.77 0.00 14 D 9.04 4.78 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.25 4.99 0.00 3.94 3.84 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 16 G 7.86 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 0.00 0.00 0.00 0.00 17 N 8.98 5.07 0.00 2.59 2.61 0.00 0.00 6.83 7.57 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 18 S 8.28 3.73 0.00 3.73 3.82 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 19 P 0.00 4.14 0.00 1.60 1.05 0.00 3.37 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.44 0.00 *22 S 7.89 4.41 0.00 4.05 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 23 S 8.12 4.13 0.00 4.03 4.06 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 24 N 8.12 4.72 0.00 2.87 2.89 0.00 0.00 6.78 7.48 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 25 Y 8.24 4.05 0.00 3.07 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 26 C 8.35 4.06 0.00 3.15 3.18 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 27 N 8.16 4.50 0.00 2.90 2.92 0.00 0.00 7.16 6.74 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 28 L 8.04 4.00 0.00 1.65 1.59 0.89 0.78 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 29 M 7.75 3.63 0.00 0.69 1.24 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.41 0.00 30 M 8.37 4.19 0.00 1.72 2.04 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.43 0.00 31 C 7.75 4.25 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.88 3.94 0.00 2.91 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 33 R 8.26 4.14 0.00 1.98 2.11 0.00 3.59 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 34 K 7.70 3.85 0.00 1.91 1.92 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 35 M 8.76 4.65 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 36 T 7.57 4.73 4.45 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 0.00 0.00 0.00 1.43 0.00 0.00 37 Q 8.10 3.99 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 38 G 9.38 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 0.00 0.00 0.00 39 K 6.81 3.75 0.00 1.54 1.41 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.26 7.81 40 C 8.51 4.96 0.00 3.08 3.32 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 41 K 8.59 4.13 0.00 1.85 1.72 0.00 1.77 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.39 7.81 42 P 0.00 4.48 0.00 2.14 2.14 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 43 V 7.54 4.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 44 N 9.22 4.79 0.00 2.57 2.25 0.00 0.00 6.98 6.79 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 45 T 7.98 4.79 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 0.79 0.00 0.00 46 F 8.86 4.72 0.00 2.98 2.87 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 0.00 0.00 0.00 47 V 9.06 4.54 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 1.09 0.00 0.00 1.16 0.00 0.00 48 H 8.99 5.59 0.00 3.25 3.29 0.00 5.67 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 49 E 8.04 4.34 0.00 2.07 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 2.45 2.29 0.00 50 S 8.28 4.44 0.00 4.07 4.02 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 51 L 7.89 3.97 0.00 1.86 1.75 1.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.98 4.10 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 53 D 7.74 4.33 0.00 2.86 2.77 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 54 V 8.07 3.79 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 1.28 0.00 0.00 1.12 0.00 0.00 55 K 8.53 3.82 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.61 7.81 56 A 7.87 4.10 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 57 V 7.82 3.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58 C 7.67 3.52 0.00 2.80 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 S 7.36 4.56 0.00 3.89 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 60 Q 7.72 4.60 0.00 2.21 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 61 K 8.32 4.20 0.00 1.99 1.70 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.38 7.81 62 K 8.64 3.90 0.00 1.71 1.57 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 0.97 7.81 63 V 8.16 4.53 1.99 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 0.74 0.00 0.00 0.81 0.00 0.00 64 T 8.23 4.27 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 1.24 0.00 0.00 65 C 8.82 4.73 0.00 3.20 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 66 K 8.94 3.86 0.00 1.74 1.87 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.56 7.81 67 N 8.13 4.62 0.00 2.79 2.89 0.00 0.00 6.06 7.00 0.00 0.00 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 G 7.88 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 69 Q 8.46 4.21 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 70 T 8.12 4.74 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 1.17 0.00 0.00 71 N 7.67 5.10 0.00 2.95 3.01 0.00 0.00 6.02 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 72 C 7.70 5.34 0.00 3.09 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.88 5.06 0.00 2.80 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 74 Q 9.01 5.17 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 75 S 9.04 4.78 0.00 3.97 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 76 K 9.40 4.15 0.00 1.89 2.01 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.43 7.81 77 S 7.72 4.96 0.00 3.74 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 78 T 8.19 4.35 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 1.08 0.00 0.00 79 M 9.26 5.03 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 80 R 9.54 4.66 0.00 1.84 1.90 0.00 3.07 0.00 0.00 3.44 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 81 I 8.97 5.21 1.97 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 1.43 0.83 1.04 0.00 0.00 82 T 8.89 5.04 4.57 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 1.38 0.00 0.00 83 D 9.50 4.97 0.00 2.78 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 84 C 9.12 5.39 0.00 2.93 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 85 R 8.68 5.37 0.00 1.84 1.84 0.00 3.29 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 86 E 9.11 5.28 0.00 1.91 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 2.11 1.66 0.00 87 T 8.02 4.61 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 1.21 0.00 0.00 88 G 8.62 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.62 4.57 0.00 3.89 3.87 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 0.00 0.00 0.00 90 S 7.45 4.81 0.00 3.71 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 91 K 8.72 4.13 0.00 1.71 1.57 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.40 7.81 92 Y 9.01 4.41 0.00 2.94 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 93 P 0.00 2.97 0.00 1.73 1.22 0.00 3.61 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 1.72 1.72 0.00 94 N 7.99 4.62 0.00 2.87 2.73 0.00 0.00 7.05 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 95 C 8.06 4.48 0.00 3.00 2.89 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 96 A 8.91 4.79 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 0.00 0.00 0.00 0.00 0.00 97 Y 9.17 5.26 0.00 2.98 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 98 K 9.65 4.42 0.00 1.85 1.74 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81 99 T 8.60 4.80 4.32 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 1.33 0.00 0.00 100 T 8.52 4.54 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 1.24 0.00 0.00 101 Q 8.75 4.69 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 102 V 8.53 4.56 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 103 E 8.77 5.09 0.00 1.86 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 2.20 2.30 0.00 104 K 9.07 4.79 0.00 1.71 1.72 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 105 H 8.77 5.03 0.00 3.21 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.98 4.96 1.60 0.00 0.00 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 1.29 1.15 1.22 0.00 0.00 107 I 8.66 4.96 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.87 0.00 0.00 108 V 8.61 4.78 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 0.65 0.00 0.00 0.83 0.00 0.00 109 A 8.97 4.88 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 0.00 110 C 9.01 5.29 0.00 2.84 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 0.00 111 G 9.23 3.84 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 0.00 112 G 9.46 4.25 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 0.00 113 K 7.98 4.79 0.00 1.68 1.67 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.40 7.81 114 P 0.00 4.26 0.00 2.13 2.03 0.00 3.75 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 1.96 1.93 0.00 115 S 8.31 4.53 0.00 3.84 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 0.00 116 V 8.19 4.46 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 0.63 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.43 0.00 0.49 1.02 0.00 3.38 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 118 V 8.94 4.39 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 0.62 0.00 0.00 0.89 0.00 0.00 119 H 7.92 5.18 0.00 3.10 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.94 4.78 0.00 2.59 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.77 4.59 0.00 2.61 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 0.00 122 A 6.52 4.45 1.26 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 0.00 123 S 8.67 5.15 0.00 4.13 4.06 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 0.00 124 V 8.66 4.04 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 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.