NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8380 8.0544 114.0551 61.2628 32.7806 173.9438 2 E 4.0254 8.3038 123.8983 55.3532 29.0432 174.7868 3 W 5.1208 8.3657 126.6032 55.3240 32.5703 176.1981 4 T 4.6494 8.9318 112.6684 60.4675 71.6008 175.8186 5 D 4.4161 8.5633 121.6088 57.4378 40.7492 179.0294 6 K 3.9740 8.0498 119.6500 59.6035 32.2417 178.5695 7 E 4.0744 8.2784 118.8928 59.5105 29.4310 179.5530 8 R 3.7337 8.1780 118.1469 59.1261 30.0938 179.1346 9 S 4.0593 8.2003 112.8675 61.3522 62.4370 176.0732 10 I 3.6559 7.9626 122.6921 64.6666 36.9400 178.4111 11 I 3.7782 7.8996 120.5210 64.4934 36.9090 178.5046 12 S 4.0905 8.1298 113.9114 61.2812 61.9922 175.7213 13 D 4.3266 8.3428 120.0739 57.3675 41.1916 177.8157 14 I 3.7642 8.1173 120.6687 64.7082 36.6478 178.5497 15 F 4.0869 8.3647 118.5136 60.2074 38.5229 177.3416 16 S 4.5074 8.1123 111.9920 59.8606 63.1474 174.4400 17 H 4.7501 7.7758 118.5057 55.5100 29.2458 172.6837 18 M 4.3623 7.5974 118.8548 53.8694 33.4599 175.5496 19 D 4.6366 8.4368 125.4540 53.1937 41.9927 176.1239 20 Y 4.2744 8.5196 126.3856 61.3712 37.7467 178.2109 21 D 4.5337 8.3083 117.8966 56.1014 40.7772 177.2378 22 D 4.6038 7.7549 118.1188 56.4756 41.9831 178.2000 23 I 3.8158 7.9842 120.5656 64.3003 37.1252 178.2543 24 G 3.7380 8.0817 106.4778 47.7309 0.0000 173.6849 25 P 4.2328 0.0000 0.0000 64.9038 31.4777 178.9637 26 K 3.9117 7.7486 115.8802 59.3053 31.9277 179.3645 27 A 3.9644 8.1215 121.1092 55.0203 18.3516 179.5118 28 L 3.8480 7.8481 118.8853 58.2602 42.2108 179.1508 29 S 4.0241 8.1529 115.3293 61.7196 62.8040 176.7324 30 R 3.8163 7.9726 121.1308 59.5474 29.7169 178.0305 31 C 4.1842 7.9580 118.4601 62.5869 31.6079 175.6098 32 L 3.9355 8.0527 120.3255 57.1597 40.8887 179.4413 33 V 3.6397 7.1440 117.2255 65.4380 31.7217 177.8814 34 V 3.5192 7.8109 117.4285 64.2890 32.8764 175.6701 35 Y 3.7400 7.3807 115.9631 53.8050 37.9780 173.8881 36 P 4.7275 0.0000 0.0000 64.2619 31.6008 177.3654 37 W 4.4929 7.9107 113.7433 58.4553 28.0142 177.2007 38 T 4.5897 7.7302 110.3483 62.9575 68.7735 176.4604 39 Q 4.2941 8.2155 122.1134 58.7797 28.4628 178.3070 40 R 3.9181 7.9623 116.3253 59.3802 29.3895 177.8787 41 Y 4.1324 7.3629 114.6395 57.5538 38.2038 175.9505 42 F 4.5401 8.3247 114.7769 57.7265 39.5201 176.3628 *54 I 4.2077 8.7497 131.6340 62.5358 38.8839 177.4375 55 M 4.0918 8.1666 118.6381 58.3540 31.7966 177.3313 56 S 4.4136 7.8422 109.3826 58.2688 63.9113 173.7580 57 N 4.4831 7.7797 119.9688 53.2999 39.2703 175.1976 58 A 4.0552 8.6709 130.6620 55.2986 18.5168 178.8642 59 N 4.3622 8.4984 115.2515 56.4441 38.5856 177.8148 60 V 3.2766 7.9683 119.0088 65.7205 31.6991 177.7188 61 A 3.9372 8.1059 120.3293 55.0093 18.2409 179.3931 62 A 3.9616 8.3422 119.5836 55.8283 18.5362 179.4877 63 H 4.3514 8.4548 116.7923 59.0859 29.5866 177.6720 64 G 3.6054 8.2201 107.9554 47.8223 0.0000 175.7796 65 I 3.7764 7.8614 122.3815 64.0544 37.1277 178.6095 66 K 4.0322 8.1743 119.3451 59.3965 31.8426 179.4693 67 V 3.5665 7.8613 118.4565 66.1488 31.4231 178.1660 68 L 3.9518 7.5275 118.3265 58.0940 41.0879 179.2986 69 H 4.4911 8.4567 116.2711 58.6130 28.1350 178.0670 70 G 3.7370 8.3124 107.9362 47.5415 0.0000 175.9528 71 L 4.1277 8.0789 121.4191 57.5433 41.6825 178.6126 72 D 3.9776 8.4135 118.3827 57.5172 41.1289 178.4345 73 R 3.9310 7.8232 118.7937 59.6168 29.7915 178.6704 74 G 3.9581 7.4830 105.1737 47.0649 0.0000 175.1744 75 M 3.8995 7.8324 119.8807 58.2669 32.1556 178.1372 76 K 4.1622 7.7785 118.0241 57.7569 33.4173 176.8924 77 N 4.9389 7.6056 115.6848 51.7804 38.6354 174.4181 78 M 4.2987 7.9090 119.8471 57.4714 32.7486 177.7442 79 D 4.7414 8.1162 117.6056 56.1745 41.6927 176.6455 80 N 5.0282 7.9621 115.7356 52.8226 39.1116 176.6589 81 I 3.7685 8.3663 121.5412 64.8143 37.1823 177.3310 82 A 4.2009 8.2669 122.3223 55.4406 18.2806 178.9443 83 D 4.1794 8.0055 112.4987 56.1054 41.2918 178.1106 84 A 4.0337 7.7627 120.0781 53.7697 18.0167 178.0355 85 Y 4.5644 7.1370 113.8129 57.9096 38.5379 177.3977 86 T 3.9519 7.9557 119.4094 66.9175 68.5975 175.7054 87 D 4.3865 8.0630 120.2003 56.7142 39.3694 178.5092 88 L 4.1290 7.9191 120.0746 57.1517 41.8318 179.0842 89 S 4.1849 8.7343 113.5695 61.8641 62.3318 176.5106 90 T 3.9426 7.8874 118.0572 66.3403 68.1650 176.4010 91 L 3.9176 7.9033 122.2172 58.7762 42.1009 178.8516 92 H 4.2501 8.4810 115.9626 59.5219 28.7770 176.7423 93 S 4.4159 8.3645 115.6606 60.4058 61.8627 175.6157 94 E 3.8589 8.4768 124.4450 59.0437 29.9849 178.5465 95 K 4.0529 7.7064 118.0465 59.1754 32.6600 177.8116 96 L 4.0984 8.1766 117.5285 55.7722 41.7920 176.7939 97 H 4.2077 7.7542 113.9334 56.6006 26.6064 175.1465 98 V 3.5876 8.0091 119.6245 62.0870 31.9854 175.0746 99 D 4.4500 8.8637 127.9840 53.3604 41.9201 174.9896 100 P 4.1240 0.0000 0.0000 66.3533 30.8102 178.0414 101 D 4.3723 8.3637 116.8187 57.0897 41.0640 177.6443 102 N 4.3545 8.0180 116.5019 55.4667 38.4472 177.2312 103 F 4.4173 7.8344 119.9875 60.2616 38.9512 177.5214 104 K 4.0124 7.9196 119.5497 59.2130 32.1031 178.9608 105 L 3.6751 7.6113 118.9146 57.5305 41.4717 179.0341 106 L 3.9591 7.8522 120.2275 58.1839 42.0646 178.6282 107 S 4.0683 8.0880 113.0763 61.8492 62.1845 176.0595 108 D 4.4346 8.1408 121.2488 57.6294 40.5101 178.6131 109 C 4.2170 8.0515 116.8899 62.7307 28.0046 176.2076 110 I 3.7432 8.1838 121.8833 64.6634 36.6895 178.5639 111 T 4.0744 8.1725 116.5829 66.8885 68.3880 176.8351 112 I 3.6758 7.9939 121.7864 64.1626 37.1979 178.7693 113 V 3.4951 7.9351 119.3301 65.8230 31.3072 177.8985 114 L 3.7263 8.0166 120.1210 57.8736 41.8493 178.7311 115 A 3.0335 7.4811 120.5275 54.8055 18.0010 179.5090 116 A 3.8819 7.4853 118.1491 54.8553 18.4428 179.6144 117 K 3.9688 7.5078 117.0950 59.9915 32.7044 178.8486 118 M 4.1934 8.3456 118.7020 55.9670 32.3511 177.7743 119 G 3.6667 8.5845 108.4391 46.8191 0.0000 176.4566 120 H 4.3783 8.8012 120.1562 57.6721 28.6842 176.0821 121 A 4.1492 7.8835 121.8501 54.0093 18.7680 178.1308 122 F 4.4874 7.9554 120.4901 56.9836 37.8055 175.1741 123 T 4.1219 7.3351 115.8882 60.6923 71.3155 175.1403 124 A 3.8618 8.3452 122.5359 55.3367 18.3491 179.4352 125 E 3.9247 8.0225 117.2367 59.6699 29.7600 179.0824 126 T 3.7908 7.3934 115.9884 66.4694 68.4335 176.4743 127 Q 3.7985 7.7908 121.9922 58.8704 28.9872 178.4844 128 G 3.6442 8.4962 106.8627 47.8850 0.0000 175.3651 129 A 4.2250 7.9828 123.8890 54.7859 18.3572 179.4954 130 F 4.5272 8.5443 119.1015 61.7868 39.5224 177.4109 131 Q 3.9812 8.8256 118.2127 58.7523 28.5081 178.6067 132 K 4.0033 8.4649 120.8739 59.3181 32.2291 178.6273 133 F 4.6919 8.7709 121.0452 61.6750 39.4074 177.2108 134 L 3.6195 8.1483 118.5425 57.4067 41.3145 179.3559 135 A 3.9226 8.4603 121.1283 55.0231 18.3484 179.5413 136 A 3.8848 7.9875 119.2971 55.2074 18.4736 180.1192 137 V 3.0409 7.3540 116.7665 65.7946 31.5195 178.3141 138 V 3.2391 7.8181 118.3878 66.0160 31.2943 178.1140 139 S 3.9993 7.9752 114.4264 61.6779 62.5000 176.5504 140 A 4.0005 7.4831 121.7449 55.2036 18.0986 179.3451 141 L 3.9410 7.4680 116.7311 56.8723 41.6945 178.8353 142 G 3.9351 7.5787 103.4178 44.7232 0.0000 174.1616 143 K 4.1690 7.6054 126.6376 57.0613 32.3382 175.4771 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 V 8.05 3.84 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 0.74 0.00 0.00 0.11 0.00 0.00 2 E 8.30 4.03 0.00 1.86 1.76 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 2.22 2.44 0.00 3 W 8.37 5.12 0.00 3.36 3.10 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 0.00 0.00 0.00 0.00 4 T 8.93 4.65 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 1.27 0.00 0.00 5 D 8.56 4.42 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.05 3.97 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 7 E 8.28 4.07 0.00 2.55 2.37 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 2.53 2.50 0.00 8 R 8.18 3.73 0.00 2.05 1.91 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.87 0.00 9 S 8.20 4.06 0.00 3.90 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 10 I 7.96 3.66 2.04 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 1.52 0.61 0.93 0.00 0.00 11 I 7.90 3.78 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.86 0.42 0.00 0.00 12 S 8.13 4.09 0.00 3.91 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.34 4.33 0.00 2.80 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 14 I 8.12 3.76 1.94 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 1.37 1.32 0.34 0.00 0.00 15 F 8.36 4.09 0.00 3.21 3.23 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 0.00 16 S 8.11 4.51 0.00 4.04 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 17 H 7.78 4.75 0.00 3.05 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.60 4.36 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 19 D 8.44 4.64 0.00 2.81 2.56 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 0.00 0.00 0.00 0.00 20 Y 8.52 4.27 0.00 2.91 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 21 D 8.31 4.53 0.00 2.67 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 22 D 7.75 4.60 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.98 3.82 1.85 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 1.66 0.68 0.85 0.00 0.00 24 G 8.08 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 25 P 0.00 4.23 0.00 2.15 2.10 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 26 K 7.75 3.91 0.00 1.87 1.82 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.55 7.81 27 A 8.12 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.85 3.85 0.00 1.75 1.57 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.15 4.02 0.00 3.99 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 30 R 7.97 3.82 0.00 1.94 2.03 0.00 3.07 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 31 C 7.96 4.18 0.00 3.20 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 32 L 8.05 3.94 0.00 1.78 1.66 0.69 0.72 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 33 V 7.14 3.64 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 0.72 0.00 0.00 0.94 0.00 0.00 34 V 7.81 3.52 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 0.01 0.00 0.00 0.75 0.00 0.00 35 Y 7.38 3.74 0.00 2.57 1.43 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 36 P 0.00 4.73 0.00 2.27 2.15 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 37 W 7.91 4.49 0.00 3.41 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 38 T 7.73 4.59 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 39 Q 8.22 4.29 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 40 R 7.96 3.92 0.00 1.78 1.96 0.00 2.84 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.91 0.00 41 Y 7.36 4.13 0.00 2.61 2.55 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 42 F 8.32 4.54 0.00 3.09 2.26 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 *54 I 8.75 4.21 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.84 0.00 0.00 55 M 8.17 4.09 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 56 S 7.84 4.41 0.00 3.97 3.95 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 57 N 7.78 4.48 0.00 2.83 2.72 0.00 0.00 7.05 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 58 A 8.67 4.06 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 59 N 8.50 4.36 0.00 3.05 3.01 0.00 0.00 6.56 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 60 V 7.97 3.28 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 0.82 0.00 0.00 0.64 0.00 0.00 61 A 8.11 3.94 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 62 A 8.34 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 63 H 8.45 4.35 0.00 3.47 3.45 0.00 5.60 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 64 G 8.22 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 65 I 7.86 3.78 2.10 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 1.74 0.82 1.05 0.00 0.00 66 K 8.17 4.03 0.00 1.97 1.91 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.78 7.81 67 V 7.86 3.57 2.22 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 1.03 0.00 0.00 0.92 0.00 0.00 68 L 7.53 3.95 0.00 1.49 0.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.46 4.49 0.00 3.41 3.44 0.00 5.63 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 70 G 8.31 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 71 L 8.08 4.13 0.00 2.24 2.31 1.13 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.41 3.98 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.93 0.00 1.87 2.11 0.00 2.54 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 74 G 7.48 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 75 M 7.83 3.90 0.00 1.50 0.91 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.22 0.00 76 K 7.78 4.16 0.00 1.86 1.79 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 77 N 7.61 4.94 0.00 2.66 2.58 0.00 0.00 7.08 7.53 0.00 0.00 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 M 7.91 4.30 0.00 1.29 1.79 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.15 0.00 79 D 8.12 4.74 0.00 2.72 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 80 N 7.96 5.03 0.00 2.95 2.78 0.00 0.00 6.82 6.87 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 81 I 8.37 3.77 2.05 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 1.07 0.00 0.00 82 A 8.27 4.20 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 83 D 8.01 4.18 0.00 2.66 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 84 A 7.76 4.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.14 4.56 0.00 2.87 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 86 T 7.96 3.95 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 1.22 0.00 0.00 87 D 8.06 4.39 0.00 2.87 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 88 L 7.92 4.13 0.00 1.99 1.88 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.73 4.18 0.00 4.01 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 90 T 7.89 3.94 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 1.22 0.00 0.00 91 L 7.90 3.92 0.00 1.89 1.81 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.48 4.25 0.00 3.56 3.55 0.00 5.86 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 93 S 8.36 4.42 0.00 4.07 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.48 3.86 0.00 1.99 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 2.33 2.35 0.00 95 K 7.71 4.05 0.00 1.72 1.98 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 96 L 8.18 4.10 0.00 1.72 1.65 0.87 0.95 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 97 H 7.75 4.21 0.00 3.43 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.01 3.59 1.83 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 -0.08 0.00 0.00 0.37 0.00 0.00 99 D 8.86 4.45 0.00 2.88 2.57 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 0.00 100 P 0.00 4.12 0.00 2.35 2.39 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 101 D 8.36 4.37 0.00 2.84 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 0.00 102 N 8.02 4.35 0.00 2.53 2.70 0.00 0.00 6.88 8.28 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 0.00 103 F 7.83 4.42 0.00 3.16 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 0.00 104 K 7.92 4.01 0.00 1.76 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.61 7.81 105 L 7.61 3.68 0.00 1.61 1.05 0.58 0.02 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 0.00 106 L 7.85 3.96 0.00 1.80 1.86 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.09 4.07 0.00 3.95 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 0.00 108 D 8.14 4.43 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 8.05 4.22 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 110 I 8.18 3.74 2.10 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 0.88 1.10 0.00 0.00 111 T 8.17 4.07 4.52 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 1.47 0.00 0.00 112 I 7.99 3.68 1.87 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 1.42 1.04 0.88 0.00 0.00 113 V 7.94 3.50 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 0.93 0.00 0.00 0.98 0.00 0.00 114 L 8.02 3.73 0.00 1.69 1.32 0.64 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.48 3.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.49 3.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.51 3.97 0.00 1.71 1.87 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 118 M 8.35 4.19 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 119 G 8.58 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.80 4.38 0.00 3.19 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.88 4.15 1.35 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 0.00 0.00 122 F 7.96 4.49 0.00 2.91 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 0.00 123 T 7.34 4.12 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 1.19 0.00 0.00 124 A 8.35 3.86 1.31 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 0.00 0.00 125 E 8.02 3.92 0.00 2.02 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 2.37 2.40 0.00 126 T 7.39 3.79 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 1.08 0.00 0.00 127 Q 7.79 3.80 0.00 1.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 128 G 8.50 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.98 4.22 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.54 4.53 0.00 3.32 3.43 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 0.00 131 Q 8.83 3.98 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 132 K 8.46 4.00 0.00 1.96 2.22 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.17 1.28 7.81 133 F 8.77 4.69 0.00 3.41 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 0.00 134 L 8.15 3.62 0.00 1.65 1.50 0.61 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.46 3.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.99 3.88 1.48 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 0.00 0.00 137 V 7.35 3.04 1.69 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 0.17 0.00 0.00 0.22 0.00 0.00 138 V 7.82 3.24 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 0.90 0.00 0.00 139 S 7.98 4.00 0.00 3.99 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 0.00 140 A 7.48 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.47 3.94 0.00 0.93 0.45 -0.01 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.58 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 0.00 0.00 0.00 143 K 7.61 4.17 0.00 1.89 1.91 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.