NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0247 8.1633 120.7378 55.2743 34.1186 173.6333 2 R 5.0220 9.0277 116.4544 53.5648 34.0241 169.9992 3 V 5.0401 8.6871 121.5242 60.0489 35.9510 173.9619 4 V 4.9764 8.7626 123.0393 61.4932 33.7956 174.0513 5 I 4.9983 8.9950 129.5993 59.7862 39.5342 174.8028 6 Q 5.6806 9.0852 125.4070 52.9823 32.6505 174.5325 7 R 4.5701 8.5118 123.8999 56.0732 31.4803 175.3864 8 V 5.0470 8.9295 119.2260 59.7476 35.2336 176.5667 9 K 4.3626 9.2523 122.4216 57.4311 32.8351 177.1923 10 G 4.2031 7.6838 105.6616 45.3613 0.0000 172.4892 11 A 5.3196 8.3940 123.1825 50.8220 23.1266 175.2020 12 I 4.6702 8.8672 124.7106 59.6304 39.6234 174.5956 13 L 4.9190 9.2018 130.4935 54.0349 43.2382 175.3867 14 S 5.8053 9.4788 122.3369 55.8655 66.7350 173.7287 15 V 4.4280 8.2464 116.4492 59.1636 35.2656 175.1903 16 R 4.1617 7.9398 118.2754 56.7641 29.8698 176.5145 *27 L 4.3192 8.2874 123.4310 54.4406 43.4332 176.0253 28 E 4.6409 8.7744 122.9248 54.2066 32.1827 174.9317 29 I 4.5172 8.5861 128.3182 61.7940 36.9530 175.5001 30 I 4.4445 9.0121 121.3832 61.1957 39.6103 176.2125 31 S 4.7775 7.8002 117.9980 57.0746 67.4750 172.8999 32 E 5.2068 8.7154 122.3689 54.7575 33.1753 174.7333 33 I 5.0157 8.3972 116.9030 56.8554 41.3145 175.5278 34 K 4.6426 8.9899 127.7683 55.8918 30.5622 179.1100 35 N 4.5550 8.5448 126.6017 53.1616 39.6317 173.3780 36 G 4.4652 7.0142 110.8244 45.6919 0.0000 172.8895 37 L 5.2664 8.8935 124.8045 52.8609 45.9841 174.6446 38 I 4.6454 8.6694 124.0864 59.6477 40.0174 173.9265 39 C 5.0879 9.0809 127.5309 57.9569 30.9523 173.5287 40 F 4.8010 9.2658 125.3111 56.6940 39.6264 175.0556 41 L 4.8611 9.4680 128.4308 53.4100 43.7925 175.2020 42 G 4.4740 9.1847 115.4090 45.0753 0.0000 171.6344 43 I 5.0176 8.7823 126.3677 60.1185 39.1893 175.0776 44 H 3.9945 9.0440 127.0990 54.3985 30.8701 174.4331 45 K 3.7557 8.3492 124.6207 60.2873 32.1172 178.2540 46 N 4.4427 8.2085 112.1388 54.0011 38.2554 174.8195 47 D 4.4606 7.9077 120.4021 54.3791 41.0985 176.6489 48 T 4.4908 8.3027 115.8714 60.1557 70.9824 175.1436 49 W 4.7510 8.8039 129.0395 59.7895 30.5087 177.4168 50 E 4.0568 8.3841 118.5610 59.4893 29.0396 178.5674 51 D 4.4171 7.9480 117.6549 56.7919 40.8652 178.6663 52 A 3.8681 7.8435 121.0137 55.1250 18.3495 179.4856 53 L 3.4951 6.9943 117.0171 57.7568 41.5514 179.1676 54 Y 3.8426 7.6128 119.5798 60.6407 38.6593 178.1084 55 I 3.5925 7.6149 120.1790 64.4182 37.2968 178.1318 56 I 2.7907 7.6578 120.8278 64.2357 36.9902 178.3021 57 R 3.6857 7.7745 119.2126 59.4876 29.9391 178.7322 58 K 3.8283 7.5870 118.1201 59.4094 31.7214 179.1668 59 C 4.1827 8.1010 116.4904 63.0313 27.9005 176.0435 60 L 4.1161 8.1830 120.2955 56.7714 40.9596 178.2002 61 N 4.8601 7.5641 112.9108 52.5533 40.3288 174.8176 62 L 4.0009 7.9494 120.3280 55.0508 41.6170 176.9554 63 R 4.7914 8.5814 123.6332 55.6314 28.5916 176.2450 64 L 4.9485 8.8663 120.3996 54.1199 43.1421 176.1913 65 W 4.7142 8.2354 119.0230 54.6542 32.5995 174.3785 66 N 4.9125 8.6715 120.4657 52.6601 39.2365 174.0220 67 N 4.7710 8.7716 122.6429 53.2093 41.9282 175.9493 68 D 4.1073 9.2904 123.2223 55.8270 41.0033 174.6141 69 N 4.5508 9.2372 122.4484 56.0077 40.2617 176.1003 70 K 4.2944 8.5332 118.2055 55.9860 32.9872 176.0093 71 T 4.5985 8.2751 112.2192 60.8746 71.1733 174.3507 72 W 3.8514 7.8351 121.1704 57.5427 26.8785 173.6478 73 D 4.9471 8.9324 117.1089 54.3901 43.9132 177.0057 74 K 5.0138 8.2094 116.7948 54.4984 35.7297 175.7823 75 N 5.6616 9.0473 121.3296 50.6258 40.0173 176.2276 76 V 3.3292 8.7332 118.4210 65.0111 31.0688 178.5383 77 K 3.6180 7.3169 115.6384 59.0825 31.6765 178.7372 78 D 4.3548 8.1938 118.2127 57.4101 40.9107 178.5964 79 L 3.9185 6.9929 114.7020 53.2391 42.0922 176.1383 80 N 4.2795 7.9125 115.1759 53.4835 36.5374 173.5823 81 Y 4.9371 7.9362 115.2944 57.3897 40.1459 175.2762 82 E 5.1450 8.7148 118.5575 54.8694 33.3616 175.4217 83 L 4.9812 8.9944 121.4825 52.9094 45.1649 175.3020 84 L 4.9939 9.3867 126.6255 53.4810 44.3098 174.8553 85 I 4.6345 8.5379 128.2889 59.6162 39.3841 174.9595 86 V 4.6123 8.4446 127.1014 60.7904 34.5288 174.4430 87 S 4.5979 8.5053 122.8960 58.4627 62.6426 173.8687 88 Q 4.3826 9.5606 128.5880 53.5169 29.2220 174.9588 89 F 4.7259 8.2066 118.4478 57.9098 38.3440 176.5202 90 T 4.0913 6.9838 109.3094 63.3338 69.0528 175.6054 91 L 4.0631 7.4389 120.3637 56.4077 41.7996 177.7023 92 F 4.9178 7.6118 115.8427 56.4071 40.1540 173.7848 *101 P 3.9467 0.0000 0.0000 62.1560 31.3020 174.8398 102 D 4.4651 8.0419 122.0371 52.1422 44.0510 175.9895 103 F 5.2823 7.7376 123.9565 57.3453 39.8449 176.3458 104 H 4.2405 8.2489 118.3107 58.5392 29.3784 177.3401 105 L 4.0002 7.8971 117.4210 55.5621 42.0273 175.8217 106 A 4.4379 7.1510 121.1707 50.4734 19.4367 177.4723 107 K 3.9476 8.0930 124.6932 56.2544 33.0787 176.4779 108 E 3.9900 8.5805 126.2837 56.5516 30.4199 176.6493 109 P 4.5426 0.0000 0.0000 64.6932 31.9952 177.9819 110 N 4.3177 8.0758 116.3030 56.0230 39.1098 177.0899 111 E 4.0111 8.0428 119.1057 59.1612 29.5412 179.1201 112 A 4.2341 8.3255 121.3223 54.7707 18.3308 179.3683 113 L 2.7622 7.2063 118.5247 57.9603 42.1831 179.1548 114 I 3.7059 7.4838 118.5861 64.0848 37.8452 177.5612 115 F 4.3187 8.2681 121.1320 61.5959 39.2114 176.4813 116 Y 4.2912 8.8187 119.6912 60.7679 38.6303 177.7088 117 N 4.3313 8.1170 117.7430 56.1582 38.6835 177.5802 118 K 4.0443 8.0740 119.7178 59.3415 31.9729 179.5758 119 I 3.7244 7.5838 120.3978 64.4103 37.0454 178.4518 120 I 3.7257 7.6226 120.6326 64.6187 36.9066 178.3212 121 D 4.4260 8.2648 119.7001 57.1945 40.5978 178.4590 122 E 4.1424 8.3784 119.9722 59.0015 29.6687 178.7505 123 F 4.0257 8.6004 118.3876 60.5484 38.7114 177.6566 124 K 4.1569 8.1863 117.8306 59.5000 31.6754 179.3103 125 K 3.8449 8.2675 117.6084 59.9543 32.1767 179.1933 126 Q 4.2355 8.4148 116.3498 57.3783 28.6405 175.5121 127 Y 4.7839 8.1630 117.9540 56.8738 41.1277 174.6275 128 N 4.6245 6.0275 111.6729 52.3236 43.3366 174.6199 129 D 4.3168 8.8393 125.1727 57.2808 41.4201 176.4568 130 D 4.7043 8.3476 116.3097 54.3441 41.0509 176.6146 131 K 4.5053 7.8053 117.7320 55.8651 34.4901 175.4267 132 I 4.7400 7.7588 121.3683 59.7949 38.2113 175.1006 133 K 4.7985 9.1039 127.6000 54.5591 35.0511 175.5004 134 I 5.3813 7.6050 114.7083 57.4015 40.9854 176.2756 135 G 4.1885 8.2271 113.4730 45.9428 0.0000 177.2287 136 K 4.4910 8.5936 126.6762 54.0392 32.9755 173.9509 137 F 3.5477 8.7458 126.2383 59.3988 39.4358 175.7209 138 G 3.9594 8.3966 114.6806 46.0397 0.0000 172.6274 139 N 4.9912 7.7159 116.4136 51.1910 40.3858 174.0168 140 Y 4.2294 8.4073 121.9683 58.0743 39.8978 174.3694 141 M 5.0501 7.6437 124.7538 53.3652 36.3872 174.3633 142 N 4.8135 9.9805 119.8988 52.0045 41.8931 173.1981 143 I 4.8180 8.3618 127.0900 59.6551 39.9123 175.0073 144 D 4.7044 8.9139 128.6461 53.3260 42.0042 175.9113 145 V 4.6049 8.3528 123.7869 61.5290 34.0591 175.8446 146 T 4.4098 9.4419 127.1820 62.0062 67.9316 172.8062 147 N 4.7441 8.4838 122.4522 53.3703 39.5549 174.0771 148 D 4.3615 9.6744 124.6133 55.5825 41.4672 173.5893 149 G 3.6183 8.9477 116.1635 44.9810 0.0000 171.3645 150 P 4.5419 0.0000 0.0000 61.1738 32.7466 175.9633 151 V 4.5042 8.0795 118.1177 61.6742 34.4490 174.0765 152 T 5.2243 8.6876 123.7853 61.8995 71.7294 173.3470 153 I 4.6455 8.9473 127.0479 59.5154 40.8029 173.7833 154 Y 5.3099 8.7356 127.0707 55.8762 41.3643 174.6255 155 I 4.3076 7.9967 126.1332 59.3586 41.2218 173.6584 156 D 5.2079 8.1777 126.8438 52.4653 41.2267 176.7455 157 T 3.8688 9.0535 117.5405 63.7859 68.9769 175.4832 158 H 4.1661 8.2543 118.4827 56.7868 29.2454 175.8192 159 D 4.5103 8.1943 122.0528 56.8927 41.3559 177.2256 160 I 3.8251 6.9320 120.2542 59.9846 35.2950 178.4930 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 5.02 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.03 5.02 0.00 1.44 1.78 0.00 2.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 3 V 8.69 5.04 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 0.75 0.00 0.00 1.01 0.00 0.00 4 V 8.76 4.98 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 1.13 0.00 0.00 1.08 0.00 0.00 5 I 8.99 5.00 1.90 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 1.27 0.63 0.93 0.00 0.00 6 Q 9.09 5.68 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 7 R 8.51 4.57 0.00 1.61 1.65 0.00 2.21 0.00 0.00 2.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.06 0.00 8 V 8.93 5.05 2.32 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 0.84 0.00 0.00 1.06 0.00 0.00 9 K 9.25 4.36 0.00 1.58 1.84 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.57 7.81 10 G 7.68 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 0.00 0.00 0.00 0.00 11 A 8.39 5.32 1.19 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 12 I 8.87 4.67 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 1.11 0.87 0.91 0.00 0.00 13 L 9.20 4.92 0.00 1.67 1.53 0.90 0.94 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 14 S 9.48 5.81 0.00 3.86 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 15 V 8.25 4.43 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 0.97 0.00 0.00 16 R 7.94 4.16 0.00 1.82 1.93 0.00 3.07 0.00 0.00 3.14 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 *27 L 8.29 4.32 0.00 1.59 1.69 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.77 4.64 0.00 2.03 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 2.21 2.26 0.00 29 I 8.59 4.52 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 1.41 0.66 0.92 0.00 0.00 30 I 9.01 4.44 1.89 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 1.24 0.65 0.97 0.00 0.00 31 S 7.80 4.78 0.00 3.74 3.71 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 0.00 0.00 0.00 32 E 8.72 5.21 0.00 1.77 1.78 0.00 0.00 0.00 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 2.29 0.00 33 I 8.40 5.02 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 1.21 1.77 0.89 0.00 0.00 34 K 8.99 4.64 0.00 1.79 1.04 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 35 N 8.54 4.56 0.00 1.44 1.42 0.00 0.00 6.68 7.70 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 36 G 7.01 4.47 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 0.00 37 L 8.89 5.27 0.00 1.65 1.56 1.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.67 4.65 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 1.40 0.92 0.00 0.00 39 C 9.08 5.09 0.00 2.71 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 40 F 9.27 4.80 0.00 2.97 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 41 L 9.47 4.86 0.00 1.84 1.85 1.19 1.24 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 42 G 9.18 4.47 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 0.00 43 I 8.78 5.02 2.15 0.00 0.00 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 1.74 1.14 1.01 0.00 0.00 44 H 9.04 3.99 0.00 3.09 3.34 0.00 5.78 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 45 K 8.35 3.76 0.00 1.80 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.38 7.81 46 N 8.21 4.44 0.00 2.79 2.83 0.00 0.00 6.92 8.06 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 47 D 7.91 4.46 0.00 2.77 2.48 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 0.00 0.00 0.00 0.00 48 T 8.30 4.49 4.36 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 1.29 0.00 0.00 49 W 8.80 4.75 0.00 3.56 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.06 0.00 2.09 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 0.00 2.44 2.55 0.00 51 D 7.95 4.42 0.00 3.02 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 52 A 7.84 3.87 0.68 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 53 L 6.99 3.50 0.00 1.50 1.54 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.61 3.84 0.00 3.13 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 55 I 7.61 3.59 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.93 1.02 0.00 0.00 56 I 7.66 2.79 1.36 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.46 0.00 0.00 0.00 57 R 7.77 3.69 0.00 1.84 1.74 0.00 3.02 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 58 K 7.59 3.83 0.00 1.73 1.66 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.60 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.76 0.73 7.81 59 C 8.10 4.18 0.00 3.34 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 60 L 8.18 4.12 0.00 1.75 1.59 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.56 4.86 0.00 2.75 2.77 0.00 0.00 7.04 7.42 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 62 L 7.95 4.00 0.00 1.77 1.64 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.58 4.79 0.00 1.99 2.07 0.00 3.13 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 64 L 8.87 4.95 0.00 0.84 1.28 0.83 1.01 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 65 W 8.24 4.71 0.00 3.28 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 66 N 8.67 4.91 0.00 2.54 2.80 0.00 0.00 6.80 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 67 N 8.77 4.77 0.00 2.75 2.84 0.00 0.00 7.05 8.48 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 68 D 9.29 4.11 0.00 2.77 2.46 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 0.00 69 N 9.24 4.55 0.00 2.69 2.87 0.00 0.00 6.86 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 70 K 8.53 4.29 0.00 1.79 1.75 0.00 2.04 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.38 7.81 71 T 8.28 4.60 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 1.13 0.00 0.00 72 W 7.84 3.85 0.00 3.48 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 73 D 8.93 4.95 0.00 2.64 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 74 K 8.21 5.01 0.00 1.78 1.62 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.29 7.81 75 N 9.05 5.66 0.00 3.09 3.20 0.00 0.00 6.60 7.56 0.00 0.00 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 V 8.73 3.33 2.38 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 0.95 0.00 0.00 1.09 0.00 0.00 77 K 7.32 3.62 0.00 1.85 1.78 0.00 1.63 0.00 0.00 1.44 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.88 7.81 78 D 8.19 4.35 0.00 2.81 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 79 L 6.99 3.92 0.00 0.27 0.13 0.16 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.91 4.28 0.00 2.73 2.89 0.00 0.00 6.94 7.46 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 81 Y 7.94 4.94 0.00 2.64 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 82 E 8.71 5.14 0.00 1.91 2.03 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 2.24 2.31 0.00 83 L 8.99 4.98 0.00 1.49 1.36 1.08 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.39 4.99 0.00 1.59 1.53 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.54 4.63 1.75 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.80 0.88 0.00 0.00 86 V 8.44 4.61 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 0.92 0.00 0.00 0.75 0.00 0.00 87 S 8.51 4.60 0.00 3.16 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 88 Q 9.56 4.38 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 89 F 8.21 4.73 0.00 3.30 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 90 T 6.98 4.09 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 0.58 0.00 0.00 91 L 7.44 4.06 0.00 1.24 1.45 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.61 4.92 0.00 3.09 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 *101 P 0.00 3.95 0.00 1.99 2.09 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 102 D 8.04 4.47 0.00 2.43 2.40 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 0.00 103 F 7.74 5.28 0.00 3.17 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 0.00 104 H 8.25 4.24 0.00 3.16 3.35 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.90 4.00 0.00 1.53 1.16 1.06 0.91 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 0.00 106 A 7.15 4.44 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 0.00 107 K 8.09 3.95 0.00 1.68 1.73 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.58 1.33 7.81 108 E 8.58 3.99 0.00 2.19 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 2.32 2.31 0.00 109 P 0.00 4.54 0.00 2.20 2.29 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 110 N 8.08 4.32 0.00 2.70 2.81 0.00 0.00 7.13 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 0.00 111 E 8.04 4.01 0.00 2.00 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 0.00 2.39 2.36 0.00 112 A 8.33 4.23 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.21 2.76 0.00 1.24 1.57 0.62 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.48 3.71 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 1.44 1.11 1.03 0.00 0.00 115 F 8.27 4.32 0.00 3.42 3.37 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 0.00 116 Y 8.82 4.29 0.00 3.50 3.29 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 0.00 117 N 8.12 4.33 0.00 2.90 2.87 0.00 0.00 6.98 7.32 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 0.00 118 K 8.07 4.04 0.00 2.06 1.75 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.53 7.81 119 I 7.58 3.72 2.02 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 1.07 0.00 0.00 120 I 7.62 3.73 1.86 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.31 0.85 0.00 0.00 121 D 8.26 4.43 0.00 2.73 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 0.00 122 E 8.38 4.14 0.00 2.53 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 2.45 2.35 0.00 123 F 8.60 4.03 0.00 3.36 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 0.00 124 K 8.19 4.16 0.00 2.04 1.89 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.65 1.53 7.81 125 K 8.27 3.84 0.00 1.96 1.93 0.00 1.81 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.52 7.81 126 Q 8.41 4.24 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 127 Y 8.16 4.78 0.00 2.98 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 0.00 128 N 6.03 4.62 0.00 2.05 1.75 0.00 0.00 7.08 8.37 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 0.00 129 D 8.84 4.32 0.00 2.63 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 0.00 130 D 8.35 4.70 0.00 2.60 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 0.00 131 K 7.81 4.51 0.00 1.15 1.77 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.11 0.94 7.81 132 I 7.76 4.74 1.87 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.98 0.79 0.00 0.00 133 K 9.10 4.80 0.00 1.66 1.66 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.39 7.81 134 I 7.60 5.38 2.07 0.00 0.00 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 1.28 1.83 0.87 0.00 0.00 135 G 8.23 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 0.00 136 K 8.59 4.49 0.00 1.78 1.68 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 F 8.75 3.55 0.00 2.86 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 0.00 138 G 8.40 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 0.00 0.00 0.00 139 N 7.72 4.99 0.00 2.98 2.80 0.00 0.00 6.85 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 0.00 140 Y 8.41 4.23 0.00 3.16 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 0.00 141 M 7.64 5.05 0.00 1.78 1.72 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 2.43 2.46 0.00 142 N 9.98 4.81 0.00 2.92 2.79 0.00 0.00 7.23 7.70 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 0.00 143 I 8.36 4.82 1.91 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 1.32 0.76 0.95 0.00 0.00 144 D 8.91 4.70 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 0.00 145 V 8.35 4.60 2.14 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 0.87 0.00 0.00 0.99 0.00 0.00 146 T 9.44 4.41 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 1.21 0.00 0.00 147 N 8.48 4.74 0.00 2.62 2.77 0.00 0.00 6.94 8.06 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 0.00 148 D 9.67 4.36 0.00 2.64 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 0.00 149 G 8.95 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 0.00 150 P 0.00 4.54 0.00 2.06 2.02 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 151 V 8.08 4.50 2.01 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 1.18 0.00 0.00 0.97 0.00 0.00 152 T 8.69 5.22 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 0.00 153 I 8.95 4.65 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.99 0.89 0.00 0.00 154 Y 8.74 5.31 0.00 2.88 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 0.00 155 I 8.00 4.31 1.79 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 1.09 0.78 1.03 0.00 0.00 156 D 8.18 5.21 0.00 2.62 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 0.00 157 T 9.05 3.87 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 1.42 0.00 0.00 158 H 8.25 4.17 0.00 3.32 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.19 4.51 0.00 2.84 2.72 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 0.00 160 I 6.93 3.83 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 1.16 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.