NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.7500 8.4244 117.7913 51.7059 39.4390 173.8256 10 V 3.4445 8.2588 115.5550 66.6519 31.5066 174.4786 11 Y 4.4384 8.3367 118.3468 56.6474 39.5903 174.6396 12 I 3.8780 8.3630 126.4389 60.5086 37.5964 174.4005 13 P 4.4991 0.0000 0.0000 61.1504 32.2880 173.8750 14 P 4.2958 0.0000 0.0000 61.9525 32.1502 176.5800 15 C 4.7493 9.0800 116.9843 57.4288 40.3188 173.4645 16 T 4.5060 8.8254 117.0185 61.3351 69.0203 173.4178 17 I 4.7086 8.3236 129.2554 60.0042 39.2131 175.8033 18 N 4.8462 10.0031 127.4224 54.0851 36.7295 173.9875 19 N 3.9193 8.6882 109.5010 55.7621 36.7517 175.2652 20 G 3.9813 8.0744 102.8751 47.0409 0.0000 174.4981 21 Q 4.4136 7.6837 116.9496 53.3842 29.2765 178.8824 22 N 4.6185 8.4351 115.7643 54.2002 39.6872 174.3569 23 I 4.4742 8.2396 125.1443 59.6828 38.6013 175.7089 24 V 4.3570 8.1699 118.2363 59.6028 34.9846 175.1518 25 V 3.8726 8.6884 127.4543 62.1152 31.2419 175.0759 26 D 4.8261 8.2598 126.6798 52.1682 40.8487 173.1156 27 F 4.6235 9.0644 121.4921 55.5794 39.8750 177.9706 28 G 3.7389 7.7836 109.8146 45.6568 0.0000 173.4182 29 N 4.7171 8.6914 120.6428 52.0139 38.3122 175.0796 30 I 4.7153 7.8529 117.7222 58.5696 40.9615 174.6208 31 N 4.5394 8.5799 120.8517 52.4567 39.3285 174.0775 32 P 3.9164 0.0000 0.0000 64.1030 31.5740 176.4128 33 E 4.2867 8.2925 119.7437 54.9696 28.3134 174.4403 34 H 5.0223 7.6754 118.3125 53.9307 31.8869 173.8756 35 V 3.8493 8.5851 110.9333 62.4601 31.8342 176.4583 36 D 4.7494 8.2450 120.7364 53.9169 38.2243 175.2674 37 N 4.9883 7.8654 115.8281 53.7624 41.5352 177.7632 38 S 6.1308 7.1990 129.8198 60.3692 64.4236 182.5188 39 R 4.7279 7.2755 132.3255 55.0162 30.7520 178.3589 40 G 4.0895 8.9767 105.8230 47.4688 0.0000 176.3618 41 E 4.3960 7.7123 114.4621 56.2267 27.9897 176.5967 42 V 3.9093 8.7794 124.9634 62.1276 32.7057 174.6521 43 T 4.7233 8.4312 127.2209 62.9111 70.1270 175.0706 44 K 4.4798 8.4633 127.9930 53.5247 36.0834 174.4495 45 T 5.0203 8.4959 120.3193 61.0982 71.3516 173.2251 46 I 4.7068 8.8432 121.2476 58.8852 40.3307 175.3322 47 S 4.7577 8.7187 120.8088 58.1212 65.1477 173.2047 48 I 4.8410 9.3417 123.3857 59.9003 39.8872 174.4225 49 S 4.9521 8.8749 123.6564 56.9703 63.6379 172.5084 50 C 5.2213 8.6512 124.2631 54.7732 42.2105 172.6399 51 P 4.2223 0.0000 0.0000 65.4089 31.5743 177.1766 *52 Y 4.1343 7.6928 113.8335 57.3278 38.6934 179.3396 *55 G 3.9123 8.5176 108.2809 44.6239 0.0000 173.2311 56 S 3.6580 7.8422 113.6834 58.3033 59.9988 170.5292 57 L 4.5692 7.0771 119.3293 53.5157 45.4547 174.7721 58 W 4.5706 9.0687 125.1786 54.7922 32.7382 174.4851 59 I 5.4496 8.4776 125.4532 59.2251 39.1946 175.6207 60 K 4.7333 8.6565 129.7931 53.2192 35.6994 171.3993 61 V 4.9557 8.3706 124.0699 60.6272 34.2075 174.4200 62 T 4.9517 9.4866 116.8785 59.3809 72.9719 173.0622 63 G 4.1511 8.0879 107.8020 46.1460 0.0000 171.5025 64 N 4.8017 8.1526 117.5505 53.4540 39.4297 174.9269 65 T 5.1416 8.2968 112.5812 59.2623 71.8228 173.5723 66 M 4.4030 8.5272 122.2989 54.2525 33.6820 176.1573 67 G 3.6874 8.3601 109.8547 45.3726 0.0000 172.1018 68 G 3.7899 8.7596 104.7673 44.7114 0.0000 173.5731 69 G 3.9696 8.2411 106.1446 45.2617 0.0000 174.1163 70 Q 4.1559 7.8173 119.1829 55.6834 29.5512 175.4573 71 N 5.0429 8.5380 117.8406 52.3918 38.0041 174.9874 72 N 4.8751 7.8047 114.1502 53.2968 38.6329 173.0834 73 V 4.7477 7.8388 119.1878 61.8814 34.4947 174.0561 74 L 4.8329 8.9799 128.0452 53.6189 43.4137 176.3633 75 A 4.6567 8.6898 125.3206 52.0360 19.6863 176.9316 76 T 4.8775 7.7228 108.0996 60.3847 71.3311 173.9303 77 N 4.9152 8.0992 120.3880 53.3660 37.9976 174.6870 78 I 4.5933 7.7832 119.2831 60.2723 40.4335 175.3074 79 T 4.0155 8.5611 122.3412 65.3247 69.1225 173.9358 80 H 4.9066 8.8719 119.4233 56.0404 26.8660 173.4854 81 F 5.1244 8.1562 122.2133 56.4274 42.3841 174.2448 82 G 4.0257 8.6657 112.2201 45.0369 0.0000 170.6306 83 I 4.7206 8.4658 119.9591 59.2352 39.7170 175.4420 84 A 4.7857 8.9299 129.7022 51.0917 20.5734 175.8524 85 L 5.3755 8.8002 120.7703 53.2745 45.2528 175.3786 86 Y 5.2132 9.3098 119.2536 56.2250 42.4926 174.7431 87 Q 4.2492 8.8418 122.3075 56.7814 29.6888 177.8212 88 G 3.7323 8.8162 116.5140 44.8725 0.0000 173.3995 89 K 4.0625 8.2402 120.4299 54.4302 32.0956 172.3459 90 G 4.1212 8.0271 111.7695 43.3398 0.0000 173.3674 91 M 3.3259 8.1828 121.3377 54.9876 31.9108 177.2996 92 S 4.1067 7.0410 112.9771 59.9179 63.5008 173.8993 93 T 4.3307 8.0851 111.8643 60.3563 68.8870 172.7093 94 P 4.4095 0.0000 0.0000 62.6581 32.8371 175.9953 95 L 4.6272 7.9878 123.0663 52.7227 42.4021 175.1877 96 T 4.0560 8.3848 120.2785 63.9739 69.2932 173.9956 97 L 4.3347 8.4597 128.7425 54.4255 40.7792 177.7438 *115 R 4.3024 8.6392 121.7994 54.8132 32.2604 173.6278 116 S 4.8203 8.3844 109.0213 57.4830 67.4270 172.2907 117 T 5.1665 8.3592 113.9644 60.3639 71.1470 172.4347 118 F 4.9943 9.1621 125.6938 56.8453 42.7197 173.1891 119 T 5.1291 8.1215 122.4722 61.6512 71.4413 173.1866 120 F 5.2223 8.7849 120.0457 55.5202 42.0403 173.2929 121 T 4.9344 9.3576 117.9486 61.9925 71.1795 173.3911 122 S 5.6506 9.1263 122.4001 56.7649 66.2741 173.5785 123 V 4.9938 9.0559 123.7011 59.0139 34.7016 173.1646 124 P 4.3531 0.0000 0.0000 63.4916 32.4801 174.9859 125 F 5.1575 8.7464 124.2587 56.9123 43.0377 172.8579 126 R 5.0246 8.3792 122.8664 53.1823 31.1776 174.9313 127 N 4.5039 8.3066 121.2001 52.1252 38.6794 174.5986 128 G 4.1416 7.5025 106.0073 44.8762 0.0000 173.5786 129 S 4.2967 8.2794 116.9153 57.1744 64.6408 173.5054 130 G 3.7952 8.5282 109.2826 44.9039 0.0000 173.6173 131 I 3.9148 7.8446 115.9372 59.5377 36.0021 171.5770 132 L 4.7696 8.1637 123.5980 52.4417 43.5174 177.4538 133 N 4.5981 8.5972 122.2610 50.3066 35.7407 171.8913 134 G 3.9223 7.5994 115.9243 45.1926 0.0000 170.5954 135 G 3.8787 8.2822 113.2800 45.5567 0.0000 173.2382 136 D 5.0509 7.8368 118.5438 52.4433 43.6543 175.0284 137 F 5.4749 7.8169 115.5867 56.0537 40.9645 173.5943 138 R 4.8395 10.5241 116.3582 55.9037 32.8208 173.5849 139 T 5.0379 8.4758 114.5961 61.5899 70.9877 172.6502 140 T 4.7407 8.4596 119.6441 61.6658 72.3148 173.3767 141 A 4.9842 8.4840 125.8601 50.2987 22.5965 175.1983 142 S 4.6734 9.1121 116.6074 57.2140 65.2830 173.2210 143 M 4.8943 8.5897 123.7873 54.0135 34.0020 174.5108 144 S 4.6317 8.9670 123.8726 57.5993 64.9328 173.5269 145 M 4.5070 8.6886 124.8581 54.2340 32.8561 175.8904 146 I 4.3806 8.9542 127.0484 59.8943 38.7105 175.0021 147 Y 4.4663 8.7035 125.2407 57.2754 39.1275 175.7107 148 N 4.6791 8.3065 118.1049 53.6416 38.3868 175.1269 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 9 N 8.42 4.75 0.00 2.76 2.71 0.00 0.00 6.64 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 10 V 8.26 3.44 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 0.37 0.00 0.00 0.79 0.00 0.00 11 Y 8.34 4.44 0.00 2.99 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 12 I 8.36 3.88 1.91 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 1.49 0.36 0.93 0.00 0.00 13 P 0.00 4.50 0.00 2.16 2.05 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 P 0.00 4.30 0.00 1.90 1.23 0.00 3.66 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 15 C 9.08 4.75 0.00 2.99 3.19 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 16 T 8.83 4.51 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 17 I 8.32 4.71 1.91 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 1.45 1.14 0.96 0.00 0.00 18 N 10.00 4.85 0.00 2.94 3.12 0.00 0.00 6.97 5.90 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 19 N 8.69 3.92 0.00 2.86 2.91 0.00 0.00 7.24 7.65 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 20 G 8.07 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 0.00 0.00 0.00 21 Q 7.68 4.41 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 22 N 8.44 4.62 0.00 2.68 2.76 0.00 0.00 6.88 7.94 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 23 I 8.24 4.47 1.96 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 1.50 0.81 1.09 0.00 0.00 24 V 8.17 4.36 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 25 V 8.69 3.87 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 1.03 0.00 0.00 26 D 8.26 4.83 0.00 2.73 2.43 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 27 F 9.06 4.62 0.00 3.18 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.78 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 29 N 8.69 4.72 0.00 2.70 2.80 0.00 0.00 6.58 7.94 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 30 I 7.85 4.72 2.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.04 1.08 0.00 0.00 31 N 8.58 4.54 0.00 2.75 2.74 0.00 0.00 7.04 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 32 P 0.00 3.92 0.00 1.75 1.07 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 33 E 8.29 4.29 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 34 H 7.68 5.02 0.00 3.21 3.35 0.00 5.71 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 35 V 8.59 3.85 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 0.78 0.00 0.00 1.01 0.00 0.00 36 D 8.25 4.75 0.00 3.23 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.87 4.99 0.00 2.71 2.66 0.00 0.00 6.71 7.64 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 38 S 7.20 6.13 0.00 3.71 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 39 R 7.28 4.73 0.00 1.75 1.04 0.00 3.23 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 40 G 8.98 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 0.00 0.00 0.00 0.00 41 E 7.71 4.40 0.00 2.00 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 2.23 1.87 0.00 42 V 8.78 3.91 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 0.71 0.00 0.00 0.75 0.00 0.00 43 T 8.43 4.72 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 1.10 0.00 0.00 44 K 8.46 4.48 0.00 1.36 1.60 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.25 7.81 45 T 8.50 5.02 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 1.21 0.00 0.00 46 I 8.84 4.71 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.35 1.11 0.00 0.00 47 S 8.72 4.76 0.00 3.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 9.34 4.84 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.33 0.91 0.00 0.00 49 S 8.87 4.95 0.00 3.93 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 50 C 8.65 5.22 0.00 2.91 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 51 P 0.00 4.22 0.00 2.07 2.12 0.00 3.70 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 2.29 2.10 0.00 *52 Y 7.69 4.13 0.00 2.30 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 *55 G 8.52 3.91 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 0.00 0.00 0.00 56 S 7.84 3.66 0.00 4.03 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 57 L 7.08 4.57 0.00 1.25 1.21 0.57 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 58 W 9.07 4.57 0.00 3.33 2.94 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 59 I 8.48 5.45 1.36 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.12 0.46 0.00 0.00 60 K 8.66 4.73 0.00 1.40 1.62 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 0.96 7.81 61 V 8.37 4.96 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 0.95 0.00 0.00 0.87 0.00 0.00 62 T 9.49 4.95 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 1.19 0.00 0.00 63 G 8.09 4.15 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 0.00 0.00 0.00 64 N 8.15 4.80 0.00 2.68 2.76 0.00 0.00 6.38 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 65 T 8.30 5.14 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 1.26 0.00 0.00 66 M 8.53 4.40 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 67 G 8.36 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 68 G 8.76 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 69 G 8.24 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 70 Q 7.82 4.16 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.34 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 71 N 8.54 5.04 0.00 2.77 2.92 0.00 0.00 5.69 6.96 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 72 N 7.80 4.88 0.00 2.71 2.79 0.00 0.00 5.54 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 73 V 7.84 4.75 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 1.03 0.00 0.00 0.56 0.00 0.00 74 L 8.98 4.83 0.00 1.60 1.57 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.69 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.72 4.88 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 77 N 8.10 4.92 0.00 2.96 3.01 0.00 0.00 6.70 7.69 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 78 I 7.78 4.59 2.01 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 1.32 1.33 0.88 0.00 0.00 79 T 8.56 4.02 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 1.07 0.00 0.00 80 H 8.87 4.91 0.00 3.37 3.39 0.00 5.83 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.16 5.12 0.00 3.06 2.95 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 82 G 8.67 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 83 I 8.47 4.72 1.88 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.93 1.10 0.00 0.00 84 A 8.93 4.79 1.17 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 0.00 0.00 0.00 85 L 8.80 5.38 0.00 1.47 1.62 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 9.31 5.21 0.00 2.85 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 87 Q 8.84 4.25 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.88 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 88 G 8.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.24 4.06 0.00 1.79 1.63 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.00 7.81 90 G 8.03 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 91 M 8.18 3.33 0.00 1.64 1.67 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.71 0.00 92 S 7.04 4.11 0.00 3.99 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 93 T 8.09 4.33 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 94 P 0.00 4.41 0.00 1.94 1.89 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 95 L 7.99 4.63 0.00 1.68 1.61 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.38 4.06 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 1.19 0.00 0.00 97 L 8.46 4.33 0.00 1.52 1.63 0.89 0.70 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 *115 R 8.64 4.30 0.00 1.85 1.76 0.00 3.26 0.00 0.00 3.28 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 116 S 8.38 4.82 0.00 3.86 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 0.00 117 T 8.36 5.17 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 118 F 9.16 4.99 0.00 3.10 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 0.00 119 T 8.12 5.13 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 1.11 0.00 0.00 120 F 8.78 5.22 0.00 3.15 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 9.36 4.93 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 1.18 0.00 0.00 122 S 9.13 5.65 0.00 3.89 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 0.00 123 V 9.06 4.99 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 0.95 0.00 0.00 0.98 0.00 0.00 124 P 0.00 4.35 0.00 1.89 2.12 0.00 3.80 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 1.93 2.04 0.00 125 F 8.75 5.16 0.00 2.97 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 0.00 126 R 8.38 5.02 0.00 1.79 1.94 0.00 2.64 0.00 0.00 4.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 0.00 127 N 8.31 4.50 0.00 2.80 3.02 0.00 0.00 5.90 6.92 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 0.00 128 G 7.50 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 0.00 129 S 8.28 4.30 0.00 3.95 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 0.00 130 G 8.53 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 I 7.84 3.91 1.87 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 1.41 0.73 0.91 0.00 0.00 132 L 8.16 4.77 0.00 1.51 1.52 0.85 1.09 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 0.00 133 N 8.60 4.60 0.00 2.81 2.86 0.00 0.00 6.20 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 0.00 134 G 7.60 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 0.00 135 G 8.28 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.84 5.05 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 7.82 5.47 0.00 3.12 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 0.00 138 R 10.52 4.84 0.00 1.81 2.00 0.00 2.78 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 139 T 8.48 5.04 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 1.39 0.00 0.00 140 T 8.46 4.74 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 1.26 0.00 0.00 141 A 8.48 4.98 1.20 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 0.00 0.00 142 S 9.11 4.67 0.00 3.73 3.77 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 0.00 143 M 8.59 4.89 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 144 S 8.97 4.63 0.00 3.78 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 0.00 145 M 8.69 4.51 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 146 I 8.95 4.38 1.95 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 1.24 0.76 0.93 0.00 0.00 147 Y 8.70 4.47 0.00 2.86 2.94 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 0.00 148 N 8.31 4.68 0.00 2.72 2.78 0.00 0.00 6.82 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.