NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5621 8.1633 120.6090 55.4919 34.2884 173.6931 2 I 4.2780 8.7820 127.4113 59.4292 39.2071 173.0677 3 I 4.5216 9.3286 130.2052 59.8821 39.8913 174.0379 4 Y 4.5806 8.5835 125.0780 56.5390 39.2250 174.8354 5 R 4.9252 8.9471 125.4488 54.3845 33.3856 174.6305 6 D 4.8200 9.2152 124.7358 53.7539 41.3902 176.5150 7 L 4.0353 8.8799 129.9079 58.1994 42.1537 178.2663 8 I 4.1074 8.5096 118.8306 63.0903 37.7818 177.0130 9 S 4.3768 8.2303 111.2098 58.2143 63.6657 174.1947 10 H 4.2549 8.4091 117.1978 56.7119 26.8443 174.2287 11 D 4.7510 7.5954 119.2591 53.6800 42.2010 176.0523 12 V 3.8861 8.3957 122.5420 63.8543 31.6172 175.1758 13 M 4.6220 8.9111 128.5781 57.1789 33.0384 175.9373 14 F 4.5575 7.0263 111.0914 56.1488 41.1736 172.0036 15 S 5.3607 9.0762 113.1589 55.9922 66.6884 173.4056 16 D 5.1776 8.6064 117.4084 53.8873 39.2036 177.7130 17 I 3.8876 7.4993 111.6269 62.5191 38.1440 175.1506 18 Y 4.7691 7.3074 118.1800 55.8577 40.3247 175.1560 19 K 4.2773 8.5067 121.2741 56.6991 33.2965 176.1134 20 I 4.9326 8.3897 124.9220 59.5783 40.1164 175.0869 21 R 4.7339 8.9858 125.2492 54.4774 33.8319 174.4585 22 E 5.2499 8.5870 120.1291 54.7993 31.9250 175.2890 23 I 4.8487 8.3370 116.6485 58.4322 42.3426 174.5137 24 A 3.8161 9.0994 121.2143 53.9025 16.3803 176.6649 25 D 4.4542 9.1951 113.7199 56.8923 38.2971 174.9111 26 G 4.1377 8.1372 101.0359 45.9249 0.0000 173.5674 27 L 4.5130 7.6385 123.0421 56.2162 42.9951 176.1313 28 C 5.4301 8.0266 114.7613 57.8076 32.8042 173.1136 29 L 5.1374 8.9903 122.2139 53.0809 43.9239 174.9552 30 E 4.8454 8.8953 125.4575 54.7285 31.4098 174.4825 31 V 4.5444 8.5577 128.0478 60.9927 33.6186 174.0198 32 E 4.4532 8.9149 130.1036 55.7031 30.3649 175.6742 33 G 4.1923 8.7213 113.7706 44.2234 0.0000 171.9140 34 K 4.7890 9.8112 120.1018 54.5341 35.9051 175.2330 35 M 4.5071 8.8663 126.9032 55.5843 32.2688 175.7405 36 V 4.5883 8.2879 124.3532 60.3731 34.4278 175.5792 37 S 4.1228 8.5861 120.8613 59.1645 63.0616 172.9403 38 R 3.9331 9.0136 126.6908 56.3600 27.3272 174.9500 *69 G 3.7438 7.8297 106.2086 45.0271 0.0000 171.3676 70 V 4.2350 7.8072 118.1166 61.6334 33.5028 176.0842 71 D 4.3476 8.4069 126.2016 56.8183 39.1296 179.0166 72 I 3.4424 7.4601 121.0988 63.7573 37.0123 178.2719 73 V 3.4382 7.4493 118.2978 66.3539 30.8359 177.8808 74 M 4.0112 8.1146 118.3330 58.4843 31.6123 178.5874 75 N 4.3859 8.6408 115.8639 55.6950 38.6933 176.3012 76 H 4.9087 7.6473 114.6720 54.4715 30.0316 174.2373 77 H 4.0968 7.7534 115.5715 56.7908 26.7812 175.2758 78 L 4.5159 8.1225 117.8579 55.0689 42.7808 177.8774 79 Q 4.7224 9.3872 122.5274 54.2225 30.8251 174.6908 80 E 3.6995 8.7755 125.4769 56.1543 30.4426 175.2458 81 T 4.7463 8.5528 120.8055 60.3077 71.2146 172.2401 82 S 4.8440 8.0150 116.7367 56.5144 66.1620 173.2628 83 F 4.7165 7.9880 118.3500 55.1538 42.8164 175.4192 84 T 4.3249 8.4856 115.3332 61.1251 71.1268 175.4072 85 K 2.6247 8.5095 123.0812 59.6298 32.0496 178.6508 86 E 3.8664 8.0128 118.4811 59.2813 29.7638 178.3994 87 A 4.1284 8.5559 121.2583 55.3395 18.3237 179.0552 88 Y 3.6489 8.4416 118.2725 60.5287 38.9930 177.8874 89 K 3.7711 7.9253 119.1167 59.4902 31.7073 179.0894 90 K 3.8827 7.8835 119.0543 59.6263 31.9391 178.0584 91 Y 4.1027 7.9330 119.7951 60.8780 38.6307 178.0678 92 I 3.1280 7.6148 119.7048 63.4457 37.9045 177.9983 93 K 3.8084 7.6352 119.0019 59.6693 31.9642 179.0900 94 D 4.3017 7.5787 118.2513 57.3230 40.2311 178.2326 95 Y 3.9325 7.7048 121.5955 60.0389 38.6210 177.5628 96 M 3.9712 8.0375 119.3060 58.7271 32.2197 178.3542 97 K 3.9111 7.9018 118.6465 59.3730 31.9750 179.4771 98 S 4.0031 7.9532 114.4586 61.5526 62.8550 176.6787 99 I 3.3948 7.2364 123.6110 63.4465 36.6445 178.0485 100 K 3.8467 8.1751 120.8640 59.6748 32.0450 178.8006 101 G 3.6112 8.2094 105.9184 47.8841 0.0000 175.7487 102 K 4.0650 7.8870 120.8470 59.1409 31.9608 179.5552 103 L 3.9291 8.2248 119.7359 57.7368 41.2738 179.3347 104 E 3.9399 8.2962 118.2444 58.7230 29.4433 178.3326 105 E 4.3762 7.6386 114.1504 56.7015 30.3661 176.2383 106 Q 4.4624 7.5471 116.3964 57.1148 30.8778 176.9390 107 R 4.5513 7.9537 120.0999 53.2611 31.2715 174.0160 108 P 4.3035 0.0000 0.0000 65.0150 31.7728 178.1076 109 E 4.3062 8.1061 113.7701 57.3544 30.1851 177.5625 110 R 4.3461 7.9464 119.5932 57.5229 30.6566 177.8326 111 V 3.6488 7.2837 117.2286 66.2260 31.5344 177.4180 112 K 3.8904 8.1604 118.7339 59.2985 32.1583 176.6584 113 P 4.4119 0.0000 0.0000 65.0342 31.3211 178.1854 114 F 4.1983 8.3084 121.3106 61.7067 39.3934 176.8443 115 M 3.6828 8.0761 118.2557 58.5608 31.6040 178.6061 116 T 3.9136 7.7418 115.3928 66.9207 68.6176 176.8096 117 G 3.5741 8.0366 106.8466 47.6550 0.0000 175.4925 118 A 3.8536 8.0972 123.3596 54.8919 17.8882 179.6330 119 A 3.8586 7.9793 119.2984 55.1264 18.2269 179.5440 120 E 3.9662 7.8791 118.1826 59.3808 29.6742 178.8353 121 Q 4.0553 8.5090 120.0846 59.0936 29.0779 177.9419 122 I 3.8676 8.0800 121.1339 64.6176 37.2297 178.4504 123 K 4.0204 7.7861 117.8682 59.7552 31.8803 178.9216 124 H 4.2331 8.1520 118.5486 59.3099 29.4331 177.4013 125 I 3.9105 8.3672 122.0920 64.5810 36.7456 178.5024 126 L 4.2639 8.3893 118.9028 57.6513 41.5035 179.0500 127 A 4.2536 8.1816 120.2189 54.1545 18.6263 177.9434 128 N 4.9514 8.1101 114.5333 52.6493 39.7847 176.8300 129 F 4.4051 8.5313 122.6052 60.5674 39.5239 176.4216 130 K 4.2061 7.9820 119.0304 57.8676 32.2584 176.7122 131 N 4.3763 7.6499 114.4758 54.6375 38.7047 174.2070 132 Y 4.8155 6.6579 114.8664 56.1387 40.6180 175.1255 133 Q 4.3937 8.5397 120.5360 54.0496 32.7410 174.4726 134 F 5.3283 8.1658 118.6533 55.8435 42.5856 174.3752 135 F 5.4047 9.2332 121.2555 55.7560 43.3161 173.9557 136 I 5.0548 9.0136 116.4125 58.5117 41.2765 175.2360 137 G 4.1157 8.6115 110.9869 45.0357 0.0000 174.1090 138 E 4.0670 8.9546 120.5564 59.3716 29.5601 178.2859 139 N 4.4337 8.3229 114.7430 54.5415 38.7871 174.6543 140 M 3.1113 7.9711 116.6021 56.1682 29.9856 176.7046 141 N 4.5581 8.0841 117.3396 52.7290 39.6951 173.7016 142 P 4.4132 0.0000 0.0000 65.4776 31.6714 177.3477 143 D 4.6732 8.7041 117.3259 56.0359 41.0139 176.6727 144 G 4.0313 7.7961 108.1490 45.0366 0.0000 172.7367 145 M 3.8914 9.0335 118.7534 54.6716 32.6246 175.8667 146 V 4.5816 8.0122 123.2029 60.8646 33.3769 174.7751 147 A 3.9043 9.0413 131.3886 51.6709 19.6808 175.8292 148 L 4.5716 7.8064 121.5120 53.1733 43.7171 175.3241 149 L 4.5587 8.6649 126.8452 53.4809 43.7540 174.7023 150 D 4.8932 8.0428 124.8358 52.6622 45.3662 173.2854 151 Y 5.1562 8.2117 117.9016 56.0975 41.0653 177.6720 152 R 4.3209 8.3289 120.0032 56.0649 31.3305 176.9506 153 E 4.0002 8.7200 118.4934 59.7216 29.8003 178.6279 154 D 4.3508 8.1509 117.2326 54.1898 39.7020 176.9792 155 G 3.9727 7.8390 107.2906 46.2713 0.0000 174.6404 156 V 4.2075 8.3443 112.4720 60.8822 34.1178 175.8039 157 T 4.6260 8.1590 117.1064 61.3979 69.5729 172.6461 158 P 4.2843 0.0000 0.0000 62.6274 32.9468 174.9406 159 Y 5.1777 8.4916 119.8018 55.6833 41.9353 173.7296 160 M 4.9711 8.9735 119.9322 53.5560 36.3994 174.4188 161 I 4.7986 8.0313 123.0039 59.5398 39.9410 174.7140 162 F 4.9637 8.8087 125.0023 55.3790 43.2074 174.7644 163 F 4.9532 8.8173 120.9846 56.8994 39.3467 176.0816 164 K 4.0187 9.3788 128.5457 59.8702 31.9845 178.5112 165 D 4.3909 8.4709 115.8545 56.3435 40.9477 177.0603 166 G 4.1834 8.3416 106.9887 44.5331 0.0000 172.7147 167 L 5.3985 8.0314 120.4036 52.7685 44.0128 175.7054 168 E 4.8594 9.1611 120.3836 54.8357 33.0620 174.5426 169 M 5.1074 8.3673 119.1527 53.6742 35.7080 175.2526 170 E 4.6671 8.5574 118.7306 55.0599 33.2554 173.9843 171 K 4.9518 8.6117 123.5169 55.5297 34.7334 175.3249 172 C 4.9154 9.1425 120.7222 58.0717 30.3747 173.4969 173 L 4.8030 8.2854 121.8046 52.1627 45.4062 175.8621 174 E 3.8846 8.7605 121.0337 57.0732 29.8548 175.7962 175 H 4.8715 8.5328 124.6131 54.4551 32.7468 171.9823 176 H 4.8578 8.1327 122.3479 53.9627 31.7734 173.4092 177 H 4.4587 8.7409 119.1207 56.2531 28.5510 175.3435 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 8.16 4.56 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 2 I 8.78 4.28 1.86 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 1.13 0.83 0.42 0.00 0.00 3 I 9.33 4.52 1.90 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 1.22 0.71 0.83 0.00 0.00 4 Y 8.58 4.58 0.00 1.48 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.95 4.93 0.00 1.82 1.74 0.00 3.39 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 6 D 9.22 4.82 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.88 4.04 0.00 1.77 1.86 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.51 4.11 2.12 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 1.01 0.00 0.00 9 S 8.23 4.38 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 10 H 8.41 4.25 0.00 3.34 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.60 4.75 0.00 2.72 2.66 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 0.00 0.00 0.00 0.00 12 V 8.40 3.89 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 0.79 0.00 0.00 0.95 0.00 0.00 13 M 8.91 4.62 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.73 0.00 14 F 7.03 4.56 0.00 3.01 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 15 S 9.08 5.36 0.00 3.94 4.12 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 16 D 8.61 5.18 0.00 2.89 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.50 3.89 1.62 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 0.60 -0.36 0.80 0.00 0.00 18 Y 7.31 4.77 0.00 2.95 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 19 K 8.51 4.28 0.00 1.74 1.74 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.50 7.81 20 I 8.39 4.93 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.80 0.00 0.00 21 R 8.99 4.73 0.00 1.66 1.76 0.00 3.02 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 22 E 8.59 5.25 0.00 1.92 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 2.34 2.31 0.00 23 I 8.34 4.85 1.86 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 1.16 1.03 0.88 0.00 0.00 24 A 9.10 3.82 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 25 D 9.20 4.45 0.00 2.84 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 26 G 8.14 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 0.00 0.00 0.00 27 L 7.64 4.51 0.00 2.07 1.78 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.03 5.43 0.00 2.81 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 29 L 8.99 5.14 0.00 1.58 1.45 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.90 4.85 0.00 2.04 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 2.17 2.35 0.00 31 V 8.56 4.54 1.73 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 0.55 0.00 0.00 -0.44 0.00 0.00 32 E 8.91 4.45 0.00 2.00 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 2.31 2.25 0.00 33 G 8.72 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 0.00 0.00 0.00 0.00 34 K 9.81 4.79 0.00 1.83 1.84 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.47 7.81 35 M 8.87 4.51 0.00 1.97 2.04 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 2.67 2.58 0.00 36 V 8.29 4.59 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 0.81 0.00 0.00 1.01 0.00 0.00 37 S 8.59 4.12 0.00 4.02 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 38 R 9.01 3.93 0.00 1.91 2.32 0.00 3.41 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 *69 G 7.83 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 0.00 0.00 0.00 0.00 70 V 7.81 4.23 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 0.90 0.00 0.00 0.84 0.00 0.00 71 D 8.41 4.35 0.00 3.08 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 72 I 7.46 3.44 1.58 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.53 0.75 0.00 0.00 73 V 7.45 3.44 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 1.17 0.00 0.00 -0.04 0.00 0.00 74 M 8.11 4.01 0.00 2.07 2.14 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 2.71 2.57 0.00 75 N 8.64 4.39 0.00 2.62 2.77 0.00 0.00 6.96 8.09 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 76 H 7.65 4.91 0.00 3.16 3.52 0.00 5.80 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.75 4.10 0.00 3.31 3.41 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 4.52 0.00 1.58 1.82 0.98 1.05 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 79 Q 9.39 4.72 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 80 E 8.78 3.70 0.00 1.66 1.63 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 1.81 1.47 0.00 81 T 8.55 4.75 4.09 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 0.00 0.00 0.00 1.20 0.00 0.00 82 S 8.01 4.84 0.00 3.92 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 83 F 7.99 4.72 0.00 2.34 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 84 T 8.49 4.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 85 K 8.51 2.62 0.00 1.37 1.62 0.00 1.46 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.21 0.60 7.81 86 E 8.01 3.87 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 87 A 8.56 4.13 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.44 3.65 0.00 2.96 3.09 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 0.00 0.00 0.00 0.00 89 K 7.93 3.77 0.00 2.08 1.83 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 90 K 7.88 3.88 0.00 1.87 1.99 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.45 7.81 91 Y 7.93 4.10 0.00 3.25 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 92 I 7.61 3.13 1.32 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 0.74 1.44 0.78 0.00 0.00 93 K 7.64 3.81 0.00 1.94 1.76 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.62 7.81 94 D 7.58 4.30 0.00 2.64 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 95 Y 7.70 3.93 0.00 2.30 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 96 M 8.04 3.97 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 97 K 7.90 3.91 0.00 1.92 1.79 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.55 7.81 98 S 7.95 4.00 0.00 3.93 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 99 I 7.24 3.39 1.52 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.21 0.01 0.00 0.00 100 K 8.18 3.85 0.00 2.02 2.00 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.53 7.81 101 G 8.21 3.61 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 0.00 0.00 0.00 102 K 7.89 4.07 0.00 1.82 1.78 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.53 7.81 103 L 8.22 3.93 0.00 1.67 1.62 0.40 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.30 3.94 0.00 2.05 2.00 0.00 0.00 0.00 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 2.47 0.00 105 E 7.64 4.38 0.00 2.15 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 0.00 2.42 2.30 0.00 106 Q 7.55 4.46 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.10 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 107 R 7.95 4.55 0.00 1.75 1.90 0.00 3.13 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 108 P 0.00 4.30 0.00 2.17 2.09 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 109 E 8.11 4.31 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 110 R 7.95 4.35 0.00 1.96 2.10 0.00 3.23 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 111 V 7.28 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 112 K 8.16 3.89 0.00 1.88 1.80 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.52 7.81 113 P 0.00 4.41 0.00 2.36 2.33 0.00 3.82 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 2.29 2.06 0.00 114 F 8.31 4.20 0.00 3.22 3.35 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 0.00 115 M 8.08 3.68 0.00 2.01 2.08 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 2.65 3.02 0.00 116 T 7.74 3.91 4.37 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 1.20 0.00 0.00 117 G 8.04 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 0.00 118 A 8.10 3.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.98 3.86 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 0.00 120 E 7.88 3.97 0.00 2.17 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 0.00 2.32 2.38 0.00 121 Q 8.51 4.06 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 122 I 8.08 3.87 1.90 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 1.79 0.77 0.99 0.00 0.00 123 K 7.79 4.02 0.00 2.06 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.64 7.81 124 H 8.15 4.23 0.00 3.29 3.57 0.00 5.79 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 0.00 125 I 8.37 3.91 2.22 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.11 0.84 0.00 0.00 126 L 8.39 4.26 0.00 1.68 1.78 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.18 4.25 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 0.00 128 N 8.11 4.95 0.00 2.74 2.62 0.00 0.00 6.61 8.14 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 0.00 129 F 8.53 4.41 0.00 3.32 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 0.00 130 K 7.98 4.21 0.00 1.82 1.80 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.52 7.81 131 N 7.65 4.38 0.00 2.14 2.54 0.00 0.00 6.81 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 6.66 4.82 0.00 2.08 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 0.00 0.00 0.00 133 Q 8.54 4.39 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 134 F 8.17 5.33 0.00 3.16 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 0.00 135 F 9.23 5.40 0.00 2.93 2.90 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 0.00 0.00 0.00 136 I 9.01 5.05 1.95 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 1.34 0.99 1.01 0.00 0.00 137 G 8.61 4.12 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 0.00 138 E 8.95 4.07 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 139 N 8.32 4.43 0.00 2.96 2.91 0.00 0.00 7.09 8.87 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 0.00 140 M 7.97 3.11 0.00 2.18 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 2.79 2.49 0.00 141 N 8.08 4.56 0.00 2.78 2.78 0.00 0.00 7.07 7.71 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 0.00 142 P 0.00 4.41 0.00 2.17 2.16 0.00 3.78 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 2.07 2.13 0.00 143 D 8.70 4.67 0.00 2.89 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 0.00 144 G 7.80 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 0.00 145 M 9.03 3.89 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 146 V 8.01 4.58 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 1.10 0.00 0.00 0.65 0.00 0.00 147 A 9.04 3.90 0.52 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 0.00 0.00 148 L 7.81 4.57 0.00 1.13 1.02 0.58 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.66 4.56 0.00 1.54 1.53 0.40 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 150 D 8.04 4.89 0.00 2.48 1.54 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 0.00 151 Y 8.21 5.16 0.00 2.82 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 0.00 152 R 8.33 4.32 0.00 2.07 1.90 0.00 3.08 0.00 0.00 2.73 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.72 0.00 153 E 8.72 4.00 0.00 1.92 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 2.29 2.29 0.00 154 D 8.15 4.35 0.00 2.83 2.80 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 0.00 155 G 7.84 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 0.00 156 V 8.34 4.21 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 0.75 0.00 0.00 0.99 0.00 0.00 157 T 8.16 4.63 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 1.25 0.00 0.00 158 P 0.00 4.28 0.00 1.80 1.80 0.00 3.69 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 159 Y 8.49 5.18 0.00 3.01 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 0.00 160 M 8.97 4.97 0.00 1.51 1.87 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 161 I 8.03 4.80 1.55 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 1.30 0.98 0.69 0.00 0.00 162 F 8.81 4.96 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 0.00 163 F 8.82 4.95 0.00 3.45 3.30 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 0.00 164 K 9.38 4.02 0.00 1.93 2.00 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.56 1.57 7.81 165 D 8.47 4.39 0.00 2.57 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 0.00 0.00 0.00 0.00 166 G 8.34 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.03 5.40 0.00 1.86 1.73 1.10 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 168 E 9.16 4.86 0.00 1.97 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 2.18 2.22 0.00 169 M 8.37 5.11 0.00 1.53 1.80 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.53 0.00 170 E 8.56 4.67 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 171 K 8.61 4.95 0.00 1.82 1.75 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.68 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.41 7.81 172 C 9.14 4.92 0.00 2.76 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 0.00 173 L 8.29 4.80 0.00 1.56 1.50 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.76 3.88 0.00 1.90 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 2.12 2.25 0.00 175 H 8.53 4.87 0.00 3.04 3.03 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 H 8.13 4.86 0.00 3.07 3.10 0.00 5.76 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 0.00 177 H 8.74 4.46 0.00 3.17 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.