NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9308 8.1633 120.7237 55.2020 35.2773 173.5968 2 R 5.2297 8.6242 114.5643 53.6934 34.3370 169.6751 3 V 4.8186 8.4292 123.0091 59.8631 35.6510 174.0633 4 V 4.6517 9.5040 122.8441 61.3622 33.9941 174.1739 5 I 4.9727 8.6743 128.7429 59.7148 39.6045 174.5217 6 Q 5.8360 9.3093 126.1584 53.1218 32.0589 174.9493 7 R 4.6175 8.5045 123.9175 56.4928 31.7215 175.5042 8 V 5.1461 9.5923 119.0047 60.1022 36.6274 175.5812 9 K 4.4592 8.9710 117.6708 55.4235 34.6010 176.8106 10 G 4.4207 7.4764 109.4895 46.2431 0.0000 171.8201 11 A 5.2174 8.4682 123.1593 50.3887 23.4525 175.3664 12 I 4.4711 9.2331 122.8219 59.4744 40.4672 174.2647 13 L 5.1082 8.3281 129.5329 53.4646 44.1782 175.4769 14 S 5.2487 9.4124 121.6222 56.0579 67.7717 172.7820 15 V 5.0924 7.9567 112.8341 60.4544 35.5537 174.2606 16 R 5.4164 8.7311 123.2201 55.5352 31.9913 176.4779 *26 E 4.3813 8.6230 117.7418 55.0579 31.8658 171.4603 27 L 5.6185 7.5780 116.6495 53.0794 45.5136 176.2204 28 E 4.5134 8.4086 122.4512 54.2487 31.5707 173.5171 29 I 4.5776 8.6545 125.9657 61.4436 37.3138 175.4886 30 I 4.5682 8.4525 115.7764 61.7082 40.3201 175.3401 31 S 4.9129 7.8481 116.4413 56.6687 67.2384 172.9512 32 E 5.0817 8.3878 120.9016 55.3761 32.3727 174.1375 33 I 4.8828 8.4524 119.3026 57.3582 41.3746 175.6437 34 K 5.0255 9.0970 122.3152 54.9437 31.3316 178.2311 35 N 4.0263 8.6515 124.8169 53.3304 39.5764 173.3192 36 G 4.3132 6.8440 111.2428 45.9944 0.0000 171.7293 37 L 5.3076 8.9653 124.7997 52.8455 45.0597 175.0026 38 I 4.5524 8.6813 123.2031 59.4944 40.3060 174.0159 39 C 4.9642 9.0765 127.1658 58.0125 30.7593 173.5366 40 F 5.0591 9.2149 125.3834 56.5740 38.9613 174.6769 41 L 5.1128 9.4237 127.2440 53.0019 44.9496 175.2483 42 G 4.5339 9.2675 112.9200 44.5340 0.0000 172.1191 43 I 4.7146 8.9628 126.2033 61.4319 39.2147 174.1351 44 H 4.2927 10.2230 128.5814 55.3908 31.3145 177.6093 45 K 4.5233 7.5405 126.7079 57.0212 32.0365 174.5226 46 N 5.0594 8.3490 113.1129 52.6425 39.8523 174.0365 47 D 4.6522 8.1141 119.5797 54.3076 41.3330 177.7772 48 T 4.3611 8.4685 115.7336 61.2285 71.6522 174.6594 49 W 4.4938 9.0262 128.3709 60.8650 30.7137 178.4053 50 E 3.8280 8.4855 118.5405 59.5595 28.7759 178.8844 51 D 4.3066 8.1784 117.9117 57.2739 41.0987 178.0371 52 A 3.8553 7.5287 120.9163 55.4472 18.2727 179.7168 53 L 3.3125 8.1558 118.0966 57.9556 41.6150 178.7590 54 Y 3.8043 8.4449 119.6802 60.5914 38.7581 177.9595 55 I 3.7632 8.7118 121.0259 65.2847 37.5158 177.7505 56 I 3.0186 8.1933 120.4721 63.7876 36.6038 178.4764 57 R 3.6665 7.8312 118.8792 59.4773 30.0818 178.8358 58 K 3.7740 7.8437 118.0800 59.7131 31.8857 178.9848 59 C 4.0948 7.7350 115.2545 62.9901 28.2286 175.8977 60 L 4.1975 7.7552 117.6906 56.1289 41.4753 177.3069 61 N 4.9095 7.5904 113.6344 52.8106 41.0000 175.0965 62 L 3.9359 7.9082 118.2403 55.4967 41.8691 177.8904 63 R 4.6731 8.4531 122.5613 55.0758 29.0375 176.1785 64 L 4.9890 8.1446 118.6725 53.8552 42.5745 176.4591 65 W 4.5672 8.1116 119.8119 54.4518 31.5748 175.5374 66 N 4.7793 8.4932 119.7980 52.8739 38.9221 173.7324 67 N 4.2831 9.0526 117.4086 54.7076 43.3758 174.6057 68 D 4.0111 8.7556 126.5439 56.4931 40.7714 175.2969 69 N 4.4819 9.1195 110.6519 54.9366 38.1392 173.7190 70 K 4.0029 7.7988 118.2323 56.4856 32.2554 176.1539 71 T 4.4361 8.4014 113.9960 60.8222 70.4096 173.7225 72 W 3.9395 7.4412 118.2138 57.2879 27.2653 174.9791 73 D 4.9026 8.6453 118.2712 54.8218 42.8798 176.5202 74 K 5.0090 8.1740 116.2083 54.5799 36.3228 175.4304 75 N 5.7874 10.4913 120.7719 51.1842 40.3036 175.6931 76 V 3.5582 8.7235 117.3737 64.3993 31.0829 178.2037 77 K 3.7823 8.2232 119.1999 59.5434 32.5850 178.0388 78 D 4.3432 8.3732 118.2963 57.8735 40.5062 178.1112 79 L 3.7313 7.7038 119.2768 54.5770 42.1870 176.4821 80 N 4.4067 7.3004 115.5941 53.8893 37.7307 172.2451 81 Y 5.0408 7.8100 115.5706 56.8696 40.5793 175.8125 82 E 5.1825 8.7364 117.9576 55.0916 33.7063 175.3902 83 L 5.0977 8.3435 121.0948 52.9445 45.1304 175.2254 84 L 4.6942 9.0021 126.8038 53.6317 44.0934 174.8732 85 I 4.7480 8.3381 127.5155 59.5495 39.7060 174.8531 86 V 4.8070 8.8522 126.9897 60.8082 34.7727 174.3886 87 S 4.8460 8.9836 123.0961 58.7275 62.9314 173.8185 88 Q 4.6133 10.3864 129.4558 54.0276 29.0210 175.2314 89 F 4.7641 8.6698 116.5138 57.8027 38.8194 177.9015 90 T 4.0393 7.0412 111.8025 63.6290 69.0413 175.9266 91 L 4.1570 7.5031 120.8025 56.1437 41.4826 177.1123 92 F 4.8004 7.8195 116.6668 56.7730 39.9908 176.3517 93 G 4.4755 7.9853 108.2158 45.7217 0.0000 172.2782 94 N 4.4564 8.2614 120.2111 55.0497 39.8785 175.0457 95 T 4.5932 8.6741 115.4844 61.2664 70.1442 175.9887 96 K 3.4754 7.9930 126.6456 57.6164 31.6993 182.1835 97 K 4.4000 7.4742 118.1926 53.3479 33.7206 180.9449 98 G 4.0137 8.6107 115.8901 44.2930 0.0000 172.7774 99 N 4.8566 8.7895 120.4315 53.4025 39.2553 175.6354 100 K 4.2839 7.7771 120.6295 51.4421 32.7405 175.0981 101 P 4.3621 0.0000 0.0000 60.3755 31.0760 175.7838 102 D 4.1749 8.2266 122.2288 54.8832 41.6345 176.9751 103 F 5.2953 8.2884 120.3479 57.1847 41.0198 176.4218 104 H 4.5736 9.0041 118.9991 58.6544 28.4898 176.6499 105 L 3.9982 7.9993 118.1817 56.4443 41.9671 176.4606 106 A 3.8092 8.2032 121.1347 50.8677 19.3364 177.3930 107 K 3.9309 8.7247 123.6141 57.3890 33.1440 175.9977 108 E 3.7149 8.3344 127.0933 54.5594 30.1561 175.9295 109 P 4.6546 0.0000 0.0000 64.5510 31.8141 177.0417 110 N 4.6438 8.1892 116.1685 55.9002 39.2534 177.1059 111 E 4.1199 8.4938 117.0712 59.0268 29.5702 178.8559 112 A 4.1027 7.8550 120.8671 55.9164 18.4676 178.6189 113 L 2.7098 7.7842 117.7444 58.2110 41.6350 178.5010 114 I 3.8620 7.5695 120.9459 63.8380 38.3240 177.8729 115 F 4.6275 8.6522 122.1026 61.7444 39.3442 176.4384 116 Y 4.0750 8.4983 119.4254 60.8677 38.4385 177.8975 117 N 4.4790 9.2038 120.2689 56.8107 38.5751 177.9770 118 K 4.0699 8.2052 124.8963 59.1880 31.6463 182.1933 119 I 4.0149 7.4474 118.8233 64.5942 37.0973 177.9506 120 I 3.7506 8.1802 121.0520 64.7566 36.8002 178.1557 121 D 4.4170 7.6774 119.0609 57.2223 40.5493 178.4735 122 E 3.9680 8.2158 119.4818 59.2126 29.6590 178.4252 123 F 4.1798 7.5887 117.9442 60.8414 38.8203 177.9449 124 K 4.3447 7.8310 119.6814 59.6944 32.0905 180.1609 125 K 4.2030 8.2382 121.7829 58.7411 31.5877 180.2663 126 Q 4.5515 8.0352 116.1556 57.1721 29.7543 175.5732 127 Y 4.2595 9.1522 121.4276 58.6247 37.2543 175.8206 128 N 4.9496 8.9002 114.7450 52.8130 42.6261 174.3840 129 D 4.5254 8.5872 121.3139 55.8069 40.1802 178.2763 130 D 4.5171 10.2060 116.3596 56.4725 41.5840 177.0191 131 K 4.2844 7.9668 116.2374 56.1911 32.1561 175.5227 132 I 4.5800 7.6394 122.7251 60.2857 38.7267 175.6179 133 K 4.8044 8.4071 131.1405 53.5754 34.3310 172.7421 134 I 5.0804 8.0954 113.0758 59.7855 41.1760 175.2316 135 G 4.0425 8.4460 110.3878 45.2774 0.0000 172.2931 136 K 4.5691 8.3530 120.8521 54.4285 33.4415 176.3253 137 F 3.9738 8.6903 128.6931 59.0379 39.9405 176.5462 138 G 3.5832 7.0983 113.5360 45.8816 0.0000 173.5382 139 N 4.6577 7.4368 116.7684 52.2047 39.6063 174.2527 140 Y 4.1236 8.5108 122.6497 57.8339 39.1328 174.8418 141 M 4.6819 7.7594 126.2283 53.6042 35.3908 174.9395 142 N 4.6770 8.8005 117.6210 52.1903 42.0295 173.2497 143 I 4.7411 8.2914 127.6842 59.3819 39.5232 175.3020 144 D 4.5188 9.2964 129.3193 54.1458 41.7014 175.9032 145 V 4.4796 8.3559 124.0148 61.3031 33.9413 175.2820 146 T 4.3422 8.4690 125.5019 62.4813 68.8897 173.8367 147 N 4.7317 8.6717 124.8163 53.1144 39.1400 176.1091 148 D 4.3677 8.9295 126.9145 50.8032 38.5400 176.1105 149 G 4.5029 7.7332 119.1638 46.0228 0.0000 169.0630 150 P 4.5262 0.0000 0.0000 61.5106 32.7436 175.7437 151 V 4.5561 8.1550 118.5973 61.5548 34.6286 174.2216 152 T 5.7391 8.4922 122.9914 60.9010 72.3212 173.3539 153 I 4.6534 8.3387 125.4290 59.7850 41.3221 173.2917 154 Y 5.1965 8.8153 127.7937 55.9921 41.0275 174.7007 155 I 4.6183 7.5665 125.7144 59.4721 41.1885 173.5190 156 D 5.2126 8.4453 125.8806 52.5183 43.1796 176.8824 157 T 3.6777 9.1983 116.1786 63.6101 69.2961 175.3189 158 H 4.5819 8.2308 119.4505 58.3769 29.3603 176.5407 159 D 4.5069 8.2941 118.3315 57.4415 40.8837 176.3380 160 I 3.8063 6.9166 123.0079 61.8157 37.0391 175.8528 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 4.93 0.00 1.73 1.96 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 8.62 5.23 0.00 1.34 1.38 0.00 2.52 0.00 0.00 3.26 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.00 3 V 8.43 4.82 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 0.77 0.00 0.00 1.02 0.00 0.00 4 V 9.50 4.65 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 1.17 0.00 0.00 1.06 0.00 0.00 5 I 8.67 4.97 1.88 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 1.23 0.50 0.89 0.00 0.00 6 Q 9.31 5.84 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.21 0.00 7 R 8.50 4.62 0.00 1.72 1.75 0.00 2.27 0.00 0.00 2.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 8 V 9.59 5.15 2.35 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 0.86 0.00 0.00 1.02 0.00 0.00 9 K 8.97 4.46 0.00 1.63 1.73 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.35 7.81 10 G 7.48 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 0.00 0.00 0.00 0.00 11 A 8.47 5.22 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 12 I 9.23 4.47 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 0.67 0.91 0.00 0.00 13 L 8.33 5.11 0.00 1.71 1.66 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.41 5.25 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.96 5.09 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 1.06 0.00 0.00 1.00 0.00 0.00 16 R 8.73 5.42 0.00 1.84 1.87 0.00 3.01 0.00 0.00 3.85 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 *26 E 8.62 4.38 0.00 1.92 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 2.21 1.91 0.00 27 L 7.58 5.62 0.00 1.58 1.56 0.95 1.02 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 28 E 8.41 4.51 0.00 2.01 1.79 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 2.28 2.35 0.00 29 I 8.65 4.58 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 1.03 0.62 0.91 0.00 0.00 30 I 8.45 4.57 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 1.36 0.67 0.99 0.00 0.00 31 S 7.85 4.91 0.00 3.81 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 32 E 8.39 5.08 0.00 1.93 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 2.26 2.28 0.00 33 I 8.45 4.88 1.96 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 1.20 1.53 0.88 0.00 0.00 34 K 9.10 5.03 0.00 1.81 1.32 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.45 7.81 35 N 8.65 4.03 0.00 1.93 1.42 0.00 0.00 6.69 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 36 G 6.84 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 0.00 0.00 0.00 0.00 37 L 8.97 5.31 0.00 1.56 1.55 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.68 4.55 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.90 0.87 0.00 0.00 39 C 9.08 4.96 0.00 2.69 2.77 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 40 F 9.21 5.06 0.00 3.05 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 41 L 9.42 5.11 0.00 1.81 1.79 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.27 4.53 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 0.00 43 I 8.96 4.71 2.21 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 1.29 0.00 0.00 44 H 10.22 4.29 0.00 3.11 3.48 0.00 5.61 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.54 4.52 0.00 1.83 1.66 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 46 N 8.35 5.06 0.00 2.62 2.76 0.00 0.00 7.07 7.95 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 47 D 8.11 4.65 0.00 2.90 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 48 T 8.47 4.36 4.40 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 1.28 0.00 0.00 49 W 9.03 4.49 0.00 3.47 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.49 3.83 0.00 2.06 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 2.51 2.42 0.00 51 D 8.18 4.31 0.00 2.82 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 52 A 7.53 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.16 3.31 0.00 1.47 1.46 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.44 3.80 0.00 3.10 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 55 I 8.71 3.76 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 1.69 1.20 0.94 0.00 0.00 56 I 8.19 3.02 1.27 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 0.11 0.00 0.00 57 R 7.83 3.67 0.00 1.76 1.83 0.00 2.95 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 58 K 7.84 3.77 0.00 1.92 1.77 0.00 1.59 0.00 0.00 1.35 0.00 0.00 2.42 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.88 1.43 7.81 59 C 7.73 4.09 0.00 3.40 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 60 L 7.76 4.20 0.00 1.63 1.65 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.59 4.91 0.00 2.67 2.76 0.00 0.00 6.96 9.20 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 62 L 7.91 3.94 0.00 1.72 1.62 0.89 1.10 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 63 R 8.45 4.67 0.00 2.00 2.00 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 1.72 1.89 0.00 64 L 8.14 4.99 0.00 0.72 1.21 0.77 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.11 4.57 0.00 3.53 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 66 N 8.49 4.78 0.00 2.61 2.66 0.00 0.00 6.82 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 9.05 4.28 0.00 2.63 2.68 0.00 0.00 7.18 8.27 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 68 D 8.76 4.01 0.00 2.82 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 0.00 0.00 0.00 0.00 69 N 9.12 4.48 0.00 2.79 2.71 0.00 0.00 6.50 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.80 4.00 0.00 1.99 1.92 0.00 1.63 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.49 7.81 71 T 8.40 4.44 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 1.17 0.00 0.00 72 W 7.44 3.94 0.00 3.52 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 73 D 8.65 4.90 0.00 2.89 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 74 K 8.17 5.01 0.00 1.74 1.70 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.29 7.81 75 N 10.49 5.79 0.00 2.96 3.16 0.00 0.00 6.92 7.55 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 76 V 8.72 3.56 2.39 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 0.68 0.00 0.00 1.10 0.00 0.00 77 K 8.22 3.78 0.00 1.83 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.76 1.31 7.81 78 D 8.37 4.34 0.00 2.56 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 79 L 7.70 3.73 0.00 0.27 0.13 0.02 0.78 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 80 N 7.30 4.41 0.00 2.94 2.81 0.00 0.00 7.10 7.20 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 81 Y 7.81 5.04 0.00 2.65 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 82 E 8.74 5.18 0.00 1.91 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 2.24 2.28 0.00 83 L 8.34 5.10 0.00 1.33 1.28 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.00 4.69 0.00 1.64 1.40 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.34 4.75 1.79 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.83 0.84 0.00 0.00 86 V 8.85 4.81 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 1.06 0.00 0.00 0.82 0.00 0.00 87 S 8.98 4.85 0.00 3.88 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 88 Q 10.39 4.61 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 89 F 8.67 4.76 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 90 T 7.04 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 91 L 7.50 4.16 0.00 1.27 1.56 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.82 4.80 0.00 3.29 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 93 G 7.99 4.48 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 0.00 94 N 8.26 4.46 0.00 2.83 2.72 0.00 0.00 6.56 7.22 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 95 T 8.67 4.59 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 96 K 7.99 3.48 0.00 1.82 1.81 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.30 7.81 97 K 7.47 4.40 0.00 1.70 1.60 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.21 7.81 98 G 8.61 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 99 N 8.79 4.86 0.00 2.64 2.76 0.00 0.00 6.42 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 0.00 100 K 7.78 4.28 0.00 1.72 1.58 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.98 7.81 101 P 0.00 4.36 0.00 1.39 1.78 0.00 3.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 102 D 8.23 4.17 0.00 2.63 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 0.00 103 F 8.29 5.30 0.00 3.20 3.07 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 0.00 0.00 0.00 0.00 104 H 9.00 4.57 0.00 3.20 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.00 4.00 0.00 1.77 1.57 1.00 0.92 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 0.00 106 A 8.20 3.81 1.57 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 0.00 107 K 8.72 3.93 0.00 1.90 1.84 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.33 7.81 108 E 8.33 3.71 0.00 2.07 1.93 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 2.37 2.34 0.00 109 P 0.00 4.65 0.00 2.05 1.99 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 110 N 8.19 4.64 0.00 3.12 2.87 0.00 0.00 6.98 7.59 0.00 0.00 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 8.49 4.12 0.00 1.99 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 2.38 2.55 0.00 112 A 7.86 4.10 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 2.71 0.00 0.78 1.49 0.59 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.57 3.86 1.87 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 1.53 0.83 1.02 0.00 0.00 115 F 8.65 4.63 0.00 3.12 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 0.00 116 Y 8.50 4.08 0.00 3.24 3.04 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 0.00 117 N 9.20 4.48 0.00 2.93 2.90 0.00 0.00 7.09 7.67 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 0.00 118 K 8.21 4.07 0.00 1.78 1.81 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.45 4.01 1.79 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.28 0.77 0.00 0.00 120 I 8.18 3.75 1.83 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.56 0.93 0.00 0.00 121 D 7.68 4.42 0.00 3.05 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 0.00 122 E 8.22 3.97 0.00 2.19 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 123 F 7.59 4.18 0.00 3.26 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 7.83 4.34 0.00 1.88 1.91 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.38 7.81 125 K 8.24 4.20 0.00 1.84 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 126 Q 8.04 4.55 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 127 Y 9.15 4.26 0.00 2.94 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 0.00 128 N 8.90 4.95 0.00 2.56 2.12 0.00 0.00 7.00 8.49 0.00 0.00 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 8.59 4.53 0.00 2.74 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 0.00 130 D 10.21 4.52 0.00 2.55 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 0.00 131 K 7.97 4.28 0.00 1.45 1.89 0.00 1.98 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.27 0.84 7.81 132 I 7.64 4.58 1.89 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 1.31 1.00 0.85 0.00 0.00 133 K 8.41 4.80 0.00 1.41 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.24 7.81 134 I 8.10 5.08 2.11 0.00 0.00 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 1.35 1.22 0.97 0.00 0.00 135 G 8.45 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 0.00 0.00 0.00 136 K 8.35 4.57 0.00 1.75 1.74 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 137 F 8.69 3.97 0.00 2.87 2.81 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 0.00 138 G 7.10 3.58 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 0.00 0.00 0.00 139 N 7.44 4.66 0.00 2.95 2.78 0.00 0.00 6.91 7.47 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 0.00 140 Y 8.51 4.12 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 7.76 4.68 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 142 N 8.80 4.68 0.00 2.78 2.61 0.00 0.00 7.41 7.26 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 0.00 143 I 8.29 4.74 1.96 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 1.35 0.79 0.94 0.00 0.00 144 D 9.30 4.52 0.00 2.67 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 0.00 145 V 8.36 4.48 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 0.91 0.00 0.00 1.02 0.00 0.00 146 T 8.47 4.34 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 1.21 0.00 0.00 147 N 8.67 4.73 0.00 2.63 2.79 0.00 0.00 7.03 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 8.93 4.37 0.00 2.63 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 0.00 149 G 7.73 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.53 0.00 2.22 2.08 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 151 V 8.16 4.56 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 1.13 0.00 0.00 1.05 0.00 0.00 152 T 8.49 5.74 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 1.27 0.00 0.00 153 I 8.34 4.65 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.05 0.90 0.00 0.00 154 Y 8.82 5.20 0.00 2.94 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 0.00 155 I 7.57 4.62 1.78 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 1.15 0.61 1.01 0.00 0.00 156 D 8.45 5.21 0.00 2.94 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 9.20 3.68 4.16 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 1.02 0.00 0.00 158 H 8.23 4.58 0.00 3.33 3.39 0.00 5.66 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 0.00 159 D 8.29 4.51 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 6.92 3.81 1.53 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 1.09 0.53 0.59 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.