NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.6181 8.3149 120.0860 56.4159 33.6467 174.6737 6 I 4.5069 9.1015 125.2799 58.5180 41.6900 169.2203 7 V 4.9016 9.0136 124.7134 60.5642 34.1722 173.7623 8 L 5.0083 8.6379 128.2990 53.2481 44.1169 175.9520 9 K 4.5986 8.8771 125.1159 54.7345 32.0923 176.4247 10 S 4.6215 8.4508 119.9876 58.1441 63.0618 174.9558 11 S 4.3146 8.7683 115.4129 60.1646 62.3618 173.5911 12 D 4.8969 7.3087 120.1995 53.8829 39.1611 177.1330 13 G 3.9593 8.2855 104.2345 47.5266 0.0000 172.0494 14 E 4.7479 7.8305 121.7467 55.1172 32.4294 173.9822 15 S 4.5625 8.5149 119.2974 58.9277 64.2149 173.6532 16 F 4.6122 8.6422 119.5320 55.5871 42.4675 173.7585 17 E 4.4050 8.9555 125.9065 56.0454 30.0181 176.0563 18 V 4.6717 8.5443 119.4017 59.5308 36.6491 175.6397 19 E 4.3982 8.6534 122.5065 55.6503 29.8135 176.9051 20 E 3.9912 8.2086 119.4281 59.5183 29.3128 177.4046 21 A 4.2661 7.5811 120.3050 53.0824 19.1026 178.7411 22 V 3.7583 7.5668 117.6556 65.2416 31.8033 177.0460 23 A 4.3820 7.5083 117.9757 53.0786 17.2322 177.6931 24 L 4.3892 7.6411 115.3080 55.2806 42.4222 178.5361 25 E 4.0229 7.6584 116.8504 58.5254 29.6064 176.8204 26 S 4.4869 7.4377 113.3093 56.7292 62.0761 174.2482 27 Q 4.3404 8.5893 124.6488 57.4395 28.2968 178.3550 28 T 4.2434 7.8099 116.6013 64.9018 69.3801 176.8286 29 I 4.0706 7.4383 120.8104 62.6241 38.5395 177.8816 30 A 3.9158 8.4167 124.0718 55.7241 18.1921 178.8231 31 H 4.4861 7.7208 107.8457 56.8407 28.1461 175.5502 32 M 4.8512 7.9179 118.0756 55.3627 32.6042 176.7652 33 V 4.1820 7.5544 108.7631 61.5869 31.9084 176.9108 34 E 4.1556 7.4800 120.2741 58.7580 30.2115 177.5394 35 D 4.5939 7.7230 121.2774 52.8829 39.3822 176.1711 36 D 4.6256 7.7895 120.1741 54.4158 38.4435 175.7990 37 C 4.4996 8.4430 121.9012 60.0201 28.6092 175.8602 38 V 3.7823 7.6261 120.4958 64.6186 31.1309 177.1935 39 D 4.3541 7.4196 117.9637 58.4867 40.7966 177.2263 40 N 4.6821 8.0974 113.8016 52.8152 38.7035 173.5063 41 G 4.0484 7.7374 110.7817 44.6558 0.0000 174.5160 42 V 3.7768 8.1550 121.9838 61.0413 32.3355 173.4353 43 P 4.9166 0.0000 0.0000 61.8050 32.4480 176.8985 44 L 4.8422 8.6286 124.2093 53.3792 40.7830 174.8785 45 P 4.5358 0.0000 0.0000 63.9565 31.3322 176.5426 46 N 4.6893 7.9676 113.9101 52.4867 39.2282 174.2033 47 V 4.2103 7.3870 118.9906 60.5254 33.6044 174.9304 48 T 4.1866 8.3605 121.3701 62.5129 69.2890 174.4390 49 S 4.2607 8.7176 121.1691 60.7213 62.1706 176.3944 50 K 4.0468 8.0899 122.1006 59.3200 31.8834 178.7576 51 I 3.7858 7.6270 119.6601 64.3330 37.5186 177.5931 52 L 3.7935 8.0071 120.8932 58.2841 41.5086 179.0603 53 A 3.9939 7.8391 120.0838 55.3005 18.0591 179.9127 54 K 4.2007 7.7931 116.2340 59.2286 32.0177 180.0161 55 V 3.7747 7.9963 119.1059 66.2381 31.5595 178.2034 56 I 3.7892 7.6960 119.1687 64.2824 36.6247 178.0688 57 E 4.1290 8.1618 120.5537 59.1780 29.4500 178.3036 58 Y 4.0467 7.6947 119.2082 60.8395 38.8941 177.4187 59 C 3.8137 8.1124 117.5512 62.6589 28.3527 175.7125 60 K 3.7260 8.3327 121.4950 60.0322 31.4487 178.5023 61 R 3.6477 7.2090 117.0544 59.4911 29.7480 177.9077 62 H 4.0802 7.8524 116.1037 58.4532 28.7911 177.6039 63 V 3.5605 7.9710 120.5338 65.7357 31.4082 176.8041 64 E 4.4412 7.5875 116.3599 56.5879 28.8424 176.9774 65 A 4.4242 7.3188 119.2136 51.8356 19.9964 178.7054 66 A 4.0925 7.4532 118.7558 55.2734 19.2879 180.2770 67 A 4.3119 7.4545 120.1929 51.8073 17.6457 178.2344 *80 D 4.6213 8.6219 112.3377 55.0833 43.4192 177.3613 81 D 4.1619 8.0848 118.8879 57.2396 41.6504 177.0433 82 D 4.7201 7.9643 116.2122 54.9511 41.7576 178.2454 83 L 4.1111 7.6869 120.6908 57.7342 41.9948 179.2045 84 K 4.3029 8.1868 117.2504 58.8895 31.9445 179.0246 85 A 4.0343 7.4324 119.3649 54.8878 18.5286 179.2977 86 W 4.2357 8.1980 126.0661 60.6347 30.4781 177.8856 87 D 4.3717 9.0309 118.8634 57.5361 40.1706 178.4559 88 A 3.9866 7.6405 119.2391 55.4942 18.4697 178.8736 89 D 4.3161 8.0561 116.1718 57.1800 41.0845 178.2219 90 F 3.8655 7.9374 120.8284 61.0592 39.2922 176.4749 91 M 3.9425 7.3735 116.7637 56.2009 33.2825 176.9146 92 K 4.1438 7.2458 119.9442 56.5720 29.9770 174.6850 93 I 4.5212 6.8349 113.5295 57.8571 41.5110 175.9001 94 D 4.5282 8.0202 120.2284 52.5531 41.4975 177.0551 95 Q 3.3055 8.1965 118.1824 59.0478 28.4888 178.9092 96 A 3.8879 7.7932 120.9600 55.4955 18.3082 179.8140 97 T 3.8095 7.5182 113.6529 66.7033 68.6925 176.3746 98 L 3.7896 7.4693 122.1844 58.4443 41.8853 179.2648 99 F 4.5732 7.9807 117.4154 60.8757 38.7871 177.5860 100 E 4.1282 8.0088 117.6397 58.8437 29.0340 179.6023 101 L 4.0539 7.7126 119.1839 57.6468 41.8547 179.0348 102 I 3.7611 7.4922 119.7623 64.6723 37.2529 178.3049 103 L 4.0097 8.0376 119.3034 57.8446 41.3062 179.7242 104 A 4.1091 7.7714 120.1811 55.1574 18.7053 179.5437 105 A 3.9929 8.8689 119.8399 54.9070 18.1457 178.7380 106 N 4.5476 8.1246 113.9854 55.4396 39.3544 176.0572 107 Y 4.3683 7.7369 119.8978 61.2450 39.4380 175.7195 108 L 4.3255 8.3374 124.7590 53.7675 41.9486 178.0390 109 N 4.9379 8.3257 114.9233 53.6657 39.3270 176.7387 110 I 4.2752 7.8034 121.6897 59.5725 37.1437 176.9392 111 K 4.0037 8.4000 126.8841 59.2656 31.9014 177.7504 112 N 4.4910 8.2090 116.7869 55.4837 37.2781 176.6039 113 L 3.9341 8.0114 122.7242 57.1708 42.2382 178.4370 114 L 4.0776 7.7186 121.4672 57.4219 42.0625 178.0002 115 D 4.5684 7.8793 116.1516 55.7438 40.8069 176.9076 116 L 4.5287 7.0663 117.4159 56.9688 43.4433 178.2164 117 T 3.8627 8.0901 110.0416 64.9833 68.6228 176.3131 118 C 4.2613 8.1528 119.6486 62.5853 28.0420 175.8203 119 Q 4.1069 8.0552 118.9255 58.8869 28.7063 178.0282 120 T 4.1004 7.6131 116.9845 66.6134 68.6299 176.9845 121 V 3.7614 7.6804 120.0744 66.0613 31.5991 177.9222 122 A 4.1030 8.5345 120.8457 55.1896 17.8833 179.1926 123 D 4.4559 7.8957 117.3589 57.3108 40.7135 178.7176 124 M 4.1685 7.9164 118.6580 57.7179 32.0746 178.2365 125 I 4.3960 7.1875 117.0590 62.8404 37.9887 174.2507 126 K 4.1964 7.6583 122.0886 59.4953 32.2569 174.8769 127 G 3.6967 8.6558 115.4512 45.6436 0.0000 173.0089 128 K 4.4593 8.2549 118.8995 55.5371 32.9463 177.1587 129 T 4.4253 8.1854 111.5863 60.2330 71.5491 173.8393 130 P 4.2930 0.0000 0.0000 65.6698 31.1674 178.6617 131 E 3.9598 8.0777 117.5713 59.4769 29.4865 178.2858 132 E 4.0189 7.9630 118.4964 59.8834 29.2073 179.2518 133 I 4.0753 7.7721 119.7774 64.0560 37.6828 178.1311 134 R 4.1903 8.1234 116.8642 59.1745 29.2537 178.4510 135 T 4.0234 8.1821 118.1884 66.4834 68.3093 176.4941 136 T 4.4697 7.9711 111.5810 61.6478 70.0566 175.4550 137 F 4.5995 8.6677 117.0785 58.2968 45.2913 173.8226 138 N 4.1800 8.1281 118.1339 54.4373 36.4642 172.4001 139 I 4.4369 8.4501 118.8138 58.6978 40.0451 176.0335 140 K 4.0677 8.5906 125.2979 55.9244 32.6786 176.3361 141 N 4.1936 8.8209 123.5834 53.9937 39.0300 173.8204 142 D 4.8862 8.1747 124.3829 52.8892 40.0184 175.3935 143 F 4.8587 8.2697 119.6123 57.5347 39.5802 176.4827 144 T 4.0716 8.5399 117.1872 61.2657 70.5084 173.7679 145 P 4.3198 0.0000 0.0000 65.5618 31.2533 178.9626 146 E 3.9363 8.0849 117.3884 59.2278 29.4523 178.7590 147 E 3.8384 7.7459 117.2099 59.5072 29.5838 178.8492 148 E 3.2335 7.8913 119.1575 59.2180 29.5037 178.6429 149 E 3.7336 7.9675 119.1388 59.1104 29.6436 178.3457 150 E 3.8128 8.1776 119.5557 59.1768 29.6161 179.0479 151 V 3.4551 7.6779 118.3371 65.8234 31.6771 177.9639 152 R 3.6956 7.8274 118.5125 59.3373 29.8726 178.5809 153 R 2.8730 7.9079 118.1189 58.9867 29.9978 178.7717 154 E 3.7022 8.1490 118.4324 59.5847 29.2744 179.2666 155 N 4.3696 8.0450 115.0809 55.7700 38.6930 176.5569 156 Q 4.4874 7.6818 116.3933 55.8159 30.0534 176.9069 157 W 4.8018 7.9594 118.6504 57.2440 30.4778 176.0492 158 A 4.2464 7.7171 118.3945 52.9766 19.9375 177.3699 159 F 4.9095 8.8935 120.9960 57.0563 38.7885 175.8569 160 E 4.7467 8.8614 124.7904 55.5401 29.9981 176.4772 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 5 K 8.31 4.62 0.00 1.67 1.96 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.10 4.51 1.89 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 1.12 1.39 0.93 0.00 0.00 7 V 9.01 4.90 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 1.40 0.00 0.00 0.96 0.00 0.00 8 L 8.64 5.01 0.00 1.66 1.58 0.89 0.95 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 9 K 8.88 4.60 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.45 4.62 0.00 4.04 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 11 S 8.77 4.31 0.00 3.89 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 12 D 7.31 4.90 0.00 2.98 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 13 G 8.29 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 14 E 7.83 4.75 0.00 2.04 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 2.34 2.51 0.00 15 S 8.51 4.56 0.00 3.74 3.83 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 16 F 8.64 4.61 0.00 3.17 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 17 E 8.96 4.40 0.00 1.97 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 2.30 2.42 0.00 18 V 8.54 4.67 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 1.00 0.00 0.00 19 E 8.65 4.40 0.00 1.93 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 2.30 2.35 0.00 20 E 8.21 3.99 0.00 2.07 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 2.37 2.43 0.00 21 A 7.58 4.27 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 22 V 7.57 3.76 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.51 4.38 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 24 L 7.64 4.39 0.00 1.70 1.69 0.91 0.95 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 25 E 7.66 4.02 0.00 2.12 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 2.32 2.35 0.00 26 S 7.44 4.49 0.00 3.89 3.75 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 27 Q 8.59 4.34 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 28 T 7.81 4.24 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 1.05 0.00 0.00 29 I 7.44 4.07 2.06 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 1.30 1.43 0.90 0.00 0.00 30 A 8.42 3.92 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 31 H 7.72 4.49 0.00 3.35 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.92 4.85 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.55 4.18 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 0.78 0.00 0.00 1.02 0.00 0.00 34 E 7.48 4.16 0.00 1.96 1.90 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 2.28 2.22 0.00 35 D 7.72 4.59 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 36 D 7.79 4.63 0.00 2.78 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 37 C 8.44 4.50 0.00 3.01 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 38 V 7.63 3.78 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 1.00 0.00 0.00 0.93 0.00 0.00 39 D 7.42 4.35 0.00 2.73 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 40 N 8.10 4.68 0.00 2.72 2.84 0.00 0.00 6.90 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 41 G 7.74 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 0.00 0.00 0.00 42 V 8.15 3.78 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 0.83 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.92 0.00 2.00 2.06 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 44 L 8.63 4.84 0.00 2.04 1.91 0.97 0.76 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 45 P 0.00 4.54 0.00 2.08 2.13 0.00 3.74 0.00 0.00 3.80 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 46 N 7.97 4.69 0.00 1.53 2.00 0.00 0.00 6.59 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 47 V 7.39 4.21 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 1.02 0.00 0.00 1.10 0.00 0.00 48 T 8.36 4.19 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 49 S 8.72 4.26 0.00 4.52 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 50 K 8.09 4.05 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.56 7.81 51 I 7.63 3.79 2.00 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 1.53 0.68 0.98 0.00 0.00 52 L 8.01 3.79 0.00 1.65 1.66 0.67 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.84 3.99 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 54 K 7.79 4.20 0.00 2.03 2.08 0.00 1.63 0.00 0.00 1.42 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.68 1.54 7.81 55 V 8.00 3.77 2.27 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 1.11 0.00 0.00 1.05 0.00 0.00 56 I 7.70 3.79 1.93 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.96 0.00 0.00 57 E 8.16 4.13 0.00 2.15 2.34 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 2.64 2.53 0.00 58 Y 7.69 4.05 0.00 2.79 3.16 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 0.00 0.00 0.00 0.00 59 C 8.11 3.81 0.00 3.03 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 60 K 8.33 3.73 0.00 1.96 1.91 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 R 7.21 3.65 0.00 1.06 1.62 0.00 2.87 0.00 0.00 2.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 62 H 7.85 4.08 0.00 2.87 3.13 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.97 3.56 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 0.98 0.00 0.00 0.98 0.00 0.00 64 E 7.59 4.44 0.00 2.05 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 0.00 2.25 2.26 0.00 65 A 7.32 4.42 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 66 A 7.45 4.09 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 67 A 7.45 4.31 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 *80 D 8.62 4.62 0.00 2.76 2.78 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 0.00 0.00 0.00 81 D 8.08 4.16 0.00 2.76 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 82 D 7.96 4.72 0.00 2.75 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 83 L 7.69 4.11 0.00 1.55 1.75 0.80 0.72 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 84 K 8.19 4.30 0.00 1.85 1.92 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.43 4.03 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 86 W 8.20 4.24 0.00 3.48 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 87 D 9.03 4.37 0.00 3.08 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 88 A 7.64 3.99 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 89 D 8.06 4.32 0.00 2.91 2.63 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 90 F 7.94 3.87 0.00 1.83 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 91 M 7.37 3.94 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 92 K 7.25 4.14 0.00 1.69 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.45 7.81 93 I 6.83 4.52 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.64 0.00 0.00 94 D 8.02 4.53 0.00 2.76 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 95 Q 8.20 3.31 0.00 1.81 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 96 A 7.79 3.89 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 97 T 7.52 3.81 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 1.07 0.00 0.00 98 L 7.47 3.79 0.00 1.52 1.41 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 99 F 7.98 4.57 0.00 3.08 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 0.00 100 E 8.01 4.13 0.00 2.10 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 2.51 2.51 0.00 101 L 7.71 4.05 0.00 1.96 1.69 0.78 0.55 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 0.00 102 I 7.49 3.76 2.06 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 1.57 1.21 0.93 0.00 0.00 103 L 8.04 4.01 0.00 1.87 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.77 4.11 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 0.00 105 A 8.87 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.12 4.55 0.00 2.82 2.89 0.00 0.00 7.16 6.89 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 0.00 107 Y 7.74 4.37 0.00 3.07 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 0.00 108 L 8.34 4.33 0.00 1.65 1.43 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.33 4.94 0.00 2.59 2.74 0.00 0.00 6.75 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 0.00 110 I 7.80 4.28 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 1.09 0.00 0.00 111 K 8.40 4.00 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.21 4.49 0.00 3.05 3.12 0.00 0.00 5.90 6.67 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 0.00 113 L 8.01 3.93 0.00 1.93 1.90 0.22 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.72 4.08 0.00 1.97 1.65 0.95 1.45 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 0.00 115 D 7.88 4.57 0.00 2.74 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 0.00 116 L 7.07 4.53 0.00 1.83 1.66 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.09 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 1.18 0.00 0.00 118 C 8.15 4.26 0.00 3.15 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 0.00 119 Q 8.06 4.11 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 120 T 7.61 4.10 4.44 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 1.17 0.00 0.00 121 V 7.68 3.76 2.21 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 1.40 0.00 0.00 1.26 0.00 0.00 122 A 8.53 4.10 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 0.00 123 D 7.90 4.46 0.00 2.87 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 0.00 124 M 7.92 4.17 0.00 2.07 2.51 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 125 I 7.19 4.40 1.92 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 1.80 0.97 0.95 0.00 0.00 126 K 7.66 4.20 0.00 1.77 1.86 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.63 7.81 127 G 8.66 3.70 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 0.00 128 K 8.25 4.46 0.00 1.81 1.79 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.48 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 129 T 8.19 4.43 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 1.22 0.00 0.00 130 P 0.00 4.29 0.00 2.21 2.21 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 131 E 8.08 3.96 0.00 2.10 1.95 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 2.39 2.47 0.00 132 E 7.96 4.02 0.00 2.21 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 2.35 2.40 0.00 133 I 7.77 4.08 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.78 1.00 0.00 0.00 134 R 8.12 4.19 0.00 2.20 2.17 0.00 2.91 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 135 T 8.18 4.02 4.42 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 1.21 0.00 0.00 136 T 7.97 4.47 4.10 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 1.27 0.00 0.00 137 F 8.67 4.60 0.00 3.21 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 0.00 138 N 8.13 4.18 0.00 2.82 2.85 0.00 0.00 6.84 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 0.00 139 I 8.45 4.44 1.87 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 1.38 0.88 0.84 0.00 0.00 140 K 8.59 4.07 0.00 1.84 1.83 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.82 4.19 0.00 2.71 2.80 0.00 0.00 7.02 8.47 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 0.00 142 D 8.17 4.89 0.00 2.70 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 0.00 143 F 8.27 4.86 0.00 3.23 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 0.00 144 T 8.54 4.07 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 1.25 0.00 0.00 145 P 0.00 4.32 0.00 2.17 2.15 0.00 3.61 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 2.12 2.20 0.00 146 E 8.08 3.94 0.00 2.04 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 2.39 2.45 0.00 147 E 7.75 3.84 0.00 2.26 1.95 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 2.36 2.35 0.00 148 E 7.89 3.23 0.00 1.92 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 2.19 2.11 0.00 149 E 7.97 3.73 0.00 2.21 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 2.14 2.21 0.00 150 E 8.18 3.81 0.00 2.15 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 2.26 2.28 0.00 151 V 7.68 3.46 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 0.91 0.00 0.00 0.76 0.00 0.00 152 R 7.83 3.70 0.00 1.84 1.80 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 153 R 7.91 2.87 0.00 1.83 1.59 0.00 2.64 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 154 E 8.15 3.70 0.00 2.12 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 0.00 2.33 2.42 0.00 155 N 8.04 4.37 0.00 2.83 2.85 0.00 0.00 7.00 7.27 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 0.00 156 Q 7.68 4.49 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 157 W 7.96 4.80 0.00 3.36 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 0.00 158 A 7.72 4.25 0.25 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 0.00 159 F 8.89 4.91 0.00 3.08 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 0.00 160 E 8.86 4.75 0.00 2.09 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 2.12 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.