NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.3106 8.1227 123.5771 52.3498 21.0010 178.4114 8 T 3.8595 8.1749 110.5345 63.7018 67.9887 174.0710 9 S 4.1581 8.9420 118.0786 61.9859 63.2784 176.2556 10 Q 4.0133 7.9796 119.9593 58.8342 28.4674 178.2504 11 D 4.3804 8.0995 120.0067 57.4799 40.8284 178.9349 12 I 3.8292 7.9636 120.2991 64.2566 36.9069 178.3223 13 L 4.2621 8.1856 119.3560 57.8993 41.6552 179.2186 14 K 4.1079 8.1704 119.3921 59.6010 31.9278 178.4379 15 Q 3.9612 8.1626 118.8265 58.9053 29.3521 177.2229 16 H 4.8268 8.0278 113.9154 55.5167 29.3986 176.4020 17 A 4.2078 7.8511 124.2969 55.1719 18.2107 179.6542 18 A 3.9581 8.0455 118.7478 55.4990 18.4614 178.9534 19 H 3.9519 8.2159 116.1392 59.8846 29.7057 176.9564 20 Y 3.9566 7.6005 116.4860 60.8062 37.8909 177.5066 21 E 4.1156 8.7400 120.8055 59.3423 29.5174 178.9623 22 S 4.0831 7.8231 111.8171 61.4121 62.7141 175.0627 23 D 4.5200 8.1316 117.8407 55.5810 41.1555 176.7706 *25 G 3.9251 7.8082 106.3357 44.5549 0.0000 172.3234 26 G 3.8432 7.2033 108.1528 45.5277 0.0000 172.0065 27 L 4.3207 8.0887 121.1535 52.2863 42.8253 174.7730 28 P 4.2897 0.0000 0.0000 62.5402 33.1977 176.5519 29 E 3.7921 8.8538 121.4903 59.7405 29.4460 179.1610 30 A 3.9572 7.9910 119.8839 55.3072 18.3010 179.2877 31 L 4.0761 7.6333 116.5196 57.1761 42.0826 179.3745 32 V 3.2571 7.7641 118.6820 65.9496 31.3199 177.8963 33 Q 3.8572 8.1107 119.2379 58.9216 28.9184 177.7594 34 L 3.9370 7.9158 121.1906 58.2146 41.9052 178.7817 35 A 3.7041 7.5383 119.7080 54.8544 18.1560 179.0268 36 E 3.7235 7.4994 116.3187 59.5460 29.8465 178.1782 37 Y 4.5693 7.7659 114.1650 58.7560 39.8156 175.9983 38 A 4.8060 8.6148 123.0400 49.0421 19.5734 174.7756 39 P 4.4018 0.0000 0.0000 65.6731 31.7658 178.6610 40 E 4.0416 8.2196 117.7544 59.3307 29.4374 179.2203 41 T 3.9111 7.9364 115.3340 66.6494 68.5577 176.0879 42 F 4.2608 8.6355 122.9089 61.4056 39.2976 176.4449 43 D 4.1860 8.6379 117.5933 57.4456 40.8563 178.1889 44 A 3.9329 7.8158 119.7750 55.2467 18.4950 178.5021 45 Y 4.1003 8.1880 117.3337 61.1105 39.0483 178.3737 46 S 3.9953 8.1274 116.2429 61.2285 62.8128 177.1556 47 R 3.9443 7.6278 117.1029 57.1629 29.3652 178.3093 *49 R 3.9742 7.8715 120.7891 56.5923 31.7752 176.7696 50 T 3.5516 7.6873 113.7657 66.8662 68.5461 176.4171 51 T 3.9947 7.5085 114.6586 62.4446 66.5715 174.9340 *53 L 4.3534 7.8870 116.8567 53.4295 43.1439 176.9986 54 K 3.8816 7.6165 119.6082 56.7629 32.7110 176.7991 55 S 4.5231 8.3664 119.4933 57.4157 64.4606 174.8064 56 E 4.3650 9.0980 119.7735 58.9674 29.3686 179.5852 57 A 4.0748 8.0648 120.1004 55.1120 18.4624 177.5727 58 D 4.6361 7.6784 113.1631 54.4629 40.7716 177.3222 59 G 4.0125 8.3990 107.4896 45.0121 0.0000 174.6668 60 A 4.1664 8.1664 123.3130 52.3142 19.0045 178.4802 61 K 4.1399 8.4708 119.1373 57.5010 33.2769 177.2053 62 L 4.3812 7.7049 120.7399 53.1303 42.7589 174.8684 63 P 4.5512 0.0000 0.0000 62.0617 33.0483 176.9591 64 L 3.9559 8.5562 123.1556 58.1931 42.0680 179.4321 65 K 3.8662 7.9031 118.2396 60.2742 32.2928 178.4523 66 Y 4.4754 7.4299 117.0791 60.2629 38.1383 177.6091 67 K 3.9174 8.2915 119.7779 60.1622 32.1833 179.0470 68 H 4.2511 8.4585 116.2345 58.5499 28.5753 177.6552 69 L 4.0497 8.0602 122.4317 58.1881 41.8449 179.0479 70 I 3.7506 7.9708 119.7365 64.5588 37.0173 178.4893 71 L 3.9179 7.8452 119.2992 57.3431 41.3054 179.5242 72 V 3.5813 8.1560 118.8933 66.1688 31.4657 178.2960 73 V 3.6058 7.8737 117.6543 66.0251 31.3359 177.9145 74 L 3.9521 8.1825 118.9847 58.0089 40.9663 179.3374 75 D 4.3143 8.5947 118.8689 56.8256 40.5249 178.7378 76 A 3.9591 8.0269 121.7167 55.2787 18.2157 179.7488 77 I 3.4795 7.3958 116.9382 64.2929 37.2370 178.1231 78 R 3.9492 7.9612 116.9012 56.0478 31.2328 175.1986 79 D 4.7501 7.3456 116.1715 55.7881 38.2625 175.7335 80 E 4.5429 8.2169 120.4074 53.8385 29.2799 175.6616 81 P 4.2378 0.0000 0.0000 65.2093 31.7111 178.8008 82 I 3.7502 7.6761 119.6674 64.1961 37.1762 178.0971 83 G 3.7675 7.9752 107.4053 47.2672 0.0000 175.2192 84 I 3.6924 8.0370 121.4818 63.7250 37.8714 178.2124 85 V 3.1415 7.2798 117.9215 65.7980 31.2614 177.7258 86 N 4.0721 7.9849 116.2294 56.7293 38.2866 177.1666 87 H 4.2591 8.5367 117.8465 58.7984 28.5414 178.0949 88 T 3.9276 7.8205 117.1864 66.5074 68.3850 176.2590 89 R 3.9716 7.8883 119.4387 59.4178 30.4867 178.0425 90 A 4.1102 8.0477 120.2355 54.9901 18.2346 179.7513 91 A 4.0300 8.0515 115.2345 53.6265 17.9129 178.8553 *93 N 4.5732 8.1119 118.3460 54.2072 40.4913 175.2151 94 A 4.3662 7.5632 118.4231 51.7266 19.0033 177.5149 95 G 4.0173 8.2844 103.4480 45.2470 0.0000 174.5257 96 L 4.1423 7.8838 123.0170 54.9257 42.7500 177.3420 97 S 4.5619 8.8926 121.0672 57.6175 65.4969 175.6067 98 V 3.6380 8.2731 121.9814 66.2687 31.1968 177.8629 99 D 4.4157 8.1674 118.1163 57.5950 40.7260 178.5130 100 E 4.0218 8.3211 118.8543 59.2591 29.4483 179.0865 101 L 4.0448 8.1883 120.3459 58.3837 42.1707 179.1659 102 I 3.9146 8.0975 119.7224 64.5744 36.8699 178.1923 103 E 4.1096 8.3630 118.4819 59.4195 29.5242 179.5554 104 G 3.7737 8.3913 105.6376 47.9421 0.0000 175.8361 105 I 3.8548 8.0647 122.7676 64.1477 37.1591 178.3690 106 L 4.0914 8.3181 119.7874 57.9930 41.4763 179.6069 107 L 4.1841 8.0299 118.5164 57.5202 41.3831 179.4796 108 G 3.9252 8.2201 105.9002 48.0645 0.0000 175.6554 109 I 4.0542 7.9123 121.8151 64.3325 36.8317 178.4393 110 I 3.6808 7.4610 119.3487 64.2228 37.0891 177.4316 111 V 3.8593 7.7674 117.5518 64.3797 31.8208 175.7311 112 Y 4.6112 8.1074 113.9060 56.5789 41.4110 177.3259 113 G 3.6871 8.8615 113.8773 46.2166 0.0000 174.2687 *115 P 4.4112 0.0000 0.0000 62.1309 34.3425 178.4984 116 A 4.0902 8.2168 121.3376 54.3569 18.7997 179.1937 117 W 4.5300 8.4792 125.2555 59.6302 31.6247 178.5791 118 G 3.6255 8.2663 105.7261 48.1952 0.0000 174.4253 119 K 4.1939 8.1210 120.2067 58.2211 32.9372 177.4413 120 T 4.3938 7.6577 112.6297 64.0767 71.7155 176.1784 121 G 3.7258 8.4403 109.2287 47.1508 0.0000 175.6746 122 R 2.9880 7.6196 118.2391 57.9882 29.1541 179.0078 123 K 3.8763 7.7401 119.6695 59.2825 31.8703 178.8662 124 A 4.0560 7.8153 120.8695 55.0748 18.2083 179.9417 125 V 3.5609 7.4435 116.2380 66.3885 31.2631 178.0382 126 T 3.8599 7.7835 115.5514 66.6810 68.3203 176.1545 127 F 4.0979 8.2575 122.0147 61.3096 39.4172 176.7617 128 A 3.9863 8.4030 120.6465 55.4395 18.0229 179.8199 129 V 3.5692 7.9624 116.5741 66.0087 31.6766 178.2379 130 E 3.8605 7.7590 117.3203 59.3621 29.4136 179.0268 131 F 4.1993 8.1122 121.0542 61.0183 39.2110 176.5957 132 E 3.7559 8.4617 119.5913 59.2580 29.3832 179.0736 133 K 3.8951 7.5247 117.9609 59.1450 31.8264 178.9782 134 E 3.8254 7.5777 118.2806 59.4149 30.0217 178.6163 135 L 3.8402 7.8276 119.0049 57.6323 41.3186 179.4873 136 A 4.1003 7.9563 120.3756 54.6907 18.4258 179.2872 137 G 3.5705 7.8752 101.8852 45.0488 0.0000 173.8388 138 K 4.2268 7.5972 125.5573 56.9239 32.8094 175.1661 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 7 A 8.12 4.31 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 8 T 8.17 3.86 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 1.24 0.00 0.00 9 S 8.94 4.16 0.00 3.91 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 10 Q 7.98 4.01 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 11 D 8.10 4.38 0.00 2.89 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 12 I 7.96 3.83 2.04 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 1.62 1.42 1.27 0.00 0.00 13 L 8.19 4.26 0.00 1.82 1.77 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.17 4.11 0.00 1.86 2.02 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 15 Q 8.16 3.96 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.09 2.33 0.00 16 H 8.03 4.83 0.00 3.49 3.48 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.85 4.21 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.05 3.96 1.34 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 0.00 0.00 19 H 8.22 3.95 0.00 3.14 3.32 0.00 5.87 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 20 Y 7.60 3.96 0.00 3.14 3.20 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 21 E 8.74 4.12 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 22 S 7.82 4.08 0.00 3.96 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 23 D 8.13 4.52 0.00 2.53 2.51 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 0.00 0.00 0.00 0.00 *25 G 7.81 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 26 G 7.20 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 27 L 8.09 4.32 0.00 1.44 1.45 0.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.29 0.00 2.17 1.93 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 29 E 8.85 3.79 0.00 1.98 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 2.35 2.36 0.00 30 A 7.99 3.96 1.29 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 31 L 7.63 4.08 0.00 1.71 1.81 1.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.76 3.26 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 0.85 0.00 0.00 0.88 0.00 0.00 33 Q 8.11 3.86 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 34 L 7.92 3.94 0.00 1.94 1.82 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.54 3.70 0.40 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 36 E 7.50 3.72 0.00 1.65 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 1.47 1.91 0.00 37 Y 7.77 4.57 0.00 3.02 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 38 A 8.61 4.81 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 39 P 0.00 4.40 0.00 2.34 2.47 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 40 E 8.22 4.04 0.00 2.08 2.08 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 2.44 2.45 0.00 41 T 7.94 3.91 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 42 F 8.64 4.26 0.00 3.13 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 43 D 8.64 4.19 0.00 3.03 2.88 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 44 A 7.82 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.19 4.10 0.00 2.95 3.17 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 46 S 8.13 4.00 0.00 3.15 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 47 R 7.63 3.94 0.00 1.95 1.86 0.00 3.16 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 *49 R 7.87 3.97 0.00 1.28 1.70 0.00 3.38 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 50 T 7.69 3.55 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 1.08 0.00 0.00 51 T 7.51 3.99 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 1.18 0.00 0.00 *53 L 7.89 4.35 0.00 1.83 1.71 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.62 3.88 0.00 1.78 1.70 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 55 S 8.37 4.52 0.00 4.04 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 56 E 9.10 4.37 0.00 2.05 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 2.57 2.29 0.00 57 A 8.06 4.07 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 58 D 7.68 4.64 0.00 2.71 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 59 G 8.40 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.17 4.17 1.34 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 0.00 0.00 61 K 8.47 4.14 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.36 7.81 62 L 7.70 4.38 0.00 1.61 1.60 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.55 0.00 2.18 2.02 0.00 4.18 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 64 L 8.56 3.96 0.00 1.75 1.66 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.90 3.87 0.00 1.81 1.96 0.00 1.22 0.00 0.00 1.74 0.00 0.00 2.65 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.90 0.21 7.81 66 Y 7.43 4.48 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 67 K 8.29 3.92 0.00 1.90 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.72 7.81 68 H 8.46 4.25 0.00 3.22 3.61 0.00 5.62 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 69 L 8.06 4.05 0.00 2.02 2.01 1.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.97 3.75 2.06 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 1.55 0.70 0.92 0.00 0.00 71 L 7.85 3.92 0.00 1.72 1.34 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.16 3.58 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 1.03 0.00 0.00 1.08 0.00 0.00 73 V 7.87 3.61 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.06 0.00 0.00 74 L 8.18 3.95 0.00 1.84 1.67 0.91 1.35 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 75 D 8.59 4.31 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 76 A 8.03 3.96 1.45 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 0.00 0.00 0.00 77 I 7.40 3.48 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.45 -0.17 0.00 0.00 78 R 7.96 3.95 0.00 1.77 1.89 0.00 3.42 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 79 D 7.35 4.75 0.00 2.80 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 80 E 8.22 4.54 0.00 1.92 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 0.00 2.20 2.33 0.00 81 P 0.00 4.24 0.00 2.20 2.25 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 82 I 7.68 3.75 1.82 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 1.52 0.86 0.84 0.00 0.00 83 G 7.98 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 0.00 0.00 0.00 84 I 8.04 3.69 1.99 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 1.39 1.42 0.87 0.00 0.00 85 V 7.28 3.14 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 -0.27 0.00 0.00 0.71 0.00 0.00 86 N 7.98 4.07 0.00 2.76 2.69 0.00 0.00 7.07 7.77 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 87 H 8.54 4.26 0.00 3.25 3.55 0.00 5.62 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 88 T 7.82 3.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 89 R 7.89 3.97 0.00 1.54 1.92 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.00 90 A 8.05 4.11 1.03 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 91 A 8.05 4.03 1.50 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 0.00 0.00 *93 N 8.11 4.57 0.00 3.06 3.00 0.00 0.00 6.99 7.35 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 94 A 7.56 4.37 1.34 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 0.00 0.00 95 G 8.28 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 0.00 0.00 0.00 96 L 7.88 4.14 0.00 1.68 1.65 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.89 4.56 0.00 4.13 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 98 V 8.27 3.64 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 1.20 0.00 0.00 1.09 0.00 0.00 99 D 8.17 4.42 0.00 2.77 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 0.00 100 E 8.32 4.02 0.00 2.30 2.17 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 2.45 2.41 0.00 101 L 8.19 4.04 0.00 1.94 1.98 1.02 1.03 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 0.00 102 I 8.10 3.91 2.10 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 1.75 0.70 1.05 0.00 0.00 103 E 8.36 4.11 0.00 2.11 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 2.37 2.58 0.00 104 G 8.39 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 0.00 0.00 0.00 105 I 8.06 3.85 2.11 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 1.60 1.01 1.15 0.00 0.00 106 L 8.32 4.09 0.00 1.86 1.69 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.03 4.18 0.00 1.85 1.76 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.22 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 0.00 109 I 7.91 4.05 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 0.92 0.00 0.00 110 I 7.46 3.68 2.06 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 1.18 0.47 0.91 0.00 0.00 111 V 7.77 3.86 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.96 0.00 0.00 112 Y 8.11 4.61 0.00 3.15 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.86 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 *115 P 0.00 4.41 0.00 2.29 2.20 0.00 3.77 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 2.07 2.15 0.00 116 A 8.22 4.09 1.52 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 0.00 117 W 8.48 4.53 0.00 3.46 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 0.00 118 G 8.27 3.63 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 0.00 0.00 0.00 119 K 8.12 4.19 0.00 1.75 2.02 0.00 2.07 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.39 7.81 120 T 7.66 4.39 4.34 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 1.21 0.00 0.00 121 G 8.44 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 0.00 122 R 7.62 2.99 0.00 1.04 0.66 0.00 2.57 0.00 0.00 2.82 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.35 0.00 123 K 7.74 3.88 0.00 1.90 1.84 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.34 7.81 124 A 7.82 4.06 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 0.00 125 V 7.44 3.56 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 1.17 0.00 0.00 0.93 0.00 0.00 126 T 7.78 3.86 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 127 F 8.26 4.10 0.00 3.15 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.40 3.99 1.50 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 0.00 0.00 129 V 7.96 3.57 2.08 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 1.02 0.00 0.00 0.96 0.00 0.00 130 E 7.76 3.86 0.00 2.05 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 0.00 2.46 2.44 0.00 131 F 8.11 4.20 0.00 1.90 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 0.00 132 E 8.46 3.76 0.00 2.12 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 2.24 2.29 0.00 133 K 7.52 3.90 0.00 2.11 1.79 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.52 7.81 134 E 7.58 3.83 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 135 L 7.83 3.84 0.00 1.48 1.47 0.57 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.96 4.10 1.29 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 0.00 137 G 7.88 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 0.00 138 K 7.60 4.23 0.00 2.19 1.77 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.