NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4107 8.2893 120.3486 55.3819 33.1820 174.6432 2 N 4.6905 8.5976 123.9501 51.3005 39.0163 172.9606 3 I 4.6028 8.8067 121.2626 59.5705 41.9147 176.2652 4 I 4.3887 8.3268 123.7765 59.6026 38.6348 175.1505 5 K 4.4519 8.6236 124.7600 54.3949 34.1579 176.1703 6 A 4.5802 8.3905 126.3186 50.7425 21.0262 174.9567 7 N 5.0624 8.2235 116.9787 51.9730 41.4468 174.8639 8 V 3.8741 8.1825 114.2874 62.5430 32.3170 176.7712 9 A 4.2741 8.0949 123.5804 52.0693 18.7196 177.8992 10 A 4.5939 8.2784 121.8333 51.3022 21.3963 174.1379 11 P 4.6869 0.0000 0.0000 64.8419 32.1884 178.7229 12 D 4.7741 8.0601 115.9203 54.2303 40.5943 175.8294 13 A 4.5950 7.5964 124.9144 51.9377 20.0794 178.3303 14 R 4.8360 9.4935 120.7843 55.1054 32.7281 175.8118 15 V 4.9479 8.9484 124.3829 59.9960 34.9478 173.9583 16 A 4.9228 8.5490 128.3432 50.0519 21.6411 175.1710 17 I 4.8408 8.7108 123.3503 59.5485 39.6178 174.6584 18 T 4.9338 8.6303 117.8284 59.9886 70.7842 173.4752 19 I 5.1568 8.3878 126.3655 58.2498 40.6870 174.3667 20 A 5.1113 8.4228 127.5815 51.0801 19.4753 177.9253 21 R 4.4326 9.2890 119.6703 58.4271 30.2499 176.9285 22 F 4.6461 8.1977 121.5419 59.8933 39.6684 174.3372 23 N 4.6826 9.8576 124.0418 54.4821 35.5890 176.1704 24 Q 4.1587 8.2464 119.9636 59.3105 28.0941 177.8426 25 F 4.0065 8.4904 121.6772 61.2239 39.4974 176.4522 26 I 4.1808 8.2706 118.7005 63.8491 37.4838 177.8068 27 N 4.3664 8.2839 116.6389 56.2996 38.2791 176.9265 28 D 4.5590 8.6537 120.7546 57.6613 41.0187 178.8637 29 S 4.0842 7.9587 112.9511 60.9870 62.3812 175.4846 30 L 4.0667 7.7367 123.1546 58.6197 41.6856 178.2839 31 L 3.8646 8.4780 120.5970 57.6446 41.9553 178.6792 32 D 4.5021 8.4792 118.5520 57.3015 40.9625 179.6953 33 G 3.6126 8.1694 105.8097 47.8153 0.0000 175.2285 34 A 3.9951 7.9011 123.3866 54.6949 18.4647 179.3111 35 V 3.4395 7.9513 116.7144 66.3313 31.5643 177.3300 36 D 4.3062 8.1844 117.1030 57.7704 40.9424 177.7647 37 A 3.9147 8.3310 120.8981 55.7780 18.2921 179.0546 38 L 3.8722 8.5527 116.4919 59.2073 41.8885 179.8361 39 T 4.1911 8.2191 110.9349 64.0664 68.5929 176.2932 40 R 3.8619 8.2584 123.8839 58.2303 30.6890 178.0404 41 I 4.0766 8.0491 117.3943 63.5113 37.8389 177.1117 42 G 3.7356 7.9360 106.5452 45.2667 0.0000 173.9857 43 Q 3.6328 8.2624 119.8784 56.4694 27.9393 172.8246 44 V 3.8139 7.5502 117.0512 62.0168 32.1283 175.2122 45 K 4.3192 8.5929 128.9780 56.2752 32.5202 176.6593 46 D 4.6480 8.8160 124.1545 54.1036 39.0814 176.1751 47 D 4.7939 7.9815 117.2332 53.7443 40.1224 176.3148 48 N 4.7234 8.4856 117.7665 53.6143 39.3833 174.0590 49 I 4.9074 7.5901 120.2253 60.1945 38.4840 175.1716 50 T 4.7066 8.8086 117.3533 59.6997 71.8619 172.9962 51 V 4.6119 8.4084 123.7918 61.0331 34.1212 174.5245 52 V 4.3074 9.0346 129.1323 60.7904 33.7555 174.4856 53 W 4.9159 8.9793 129.0806 56.5623 29.5715 176.4708 54 V 4.3767 8.6926 119.1638 59.0634 33.6725 174.7647 55 P 4.3119 0.0000 0.0000 65.1677 31.2961 176.9150 56 G 4.4807 7.9733 108.4356 42.7965 0.0000 174.1039 57 A 4.0749 8.4877 120.6888 54.8464 18.0818 179.2877 58 Y 4.2030 8.1657 117.1438 60.7089 39.2105 177.4212 59 E 4.1342 8.2042 118.9005 57.8048 29.6325 178.4389 60 L 3.9052 7.5553 119.7558 58.2083 41.6500 177.0092 61 P 4.1671 0.0000 0.0000 64.9104 31.1397 177.9315 62 L 3.8380 7.7219 117.8984 58.4885 42.2895 179.2603 63 A 3.9846 7.8433 120.2146 55.6320 18.3019 179.8225 64 T 3.8105 8.1791 108.3673 64.5561 68.6596 176.1169 65 E 3.8460 8.8943 122.5120 59.1595 29.6694 178.2802 66 A 4.0111 7.9896 120.6177 55.6126 18.1817 179.6030 67 L 4.0957 7.5827 114.8267 57.9043 41.9454 179.4981 68 A 4.2187 8.3897 120.9622 55.1810 18.2095 179.8394 69 K 3.9243 8.2359 116.2113 59.6117 32.1293 179.0379 70 S 4.2032 8.1163 112.9396 59.4050 61.8598 175.8864 71 G 3.9589 8.5767 110.5390 46.3006 0.0000 176.1702 72 K 3.9362 7.6604 120.2531 56.4636 31.8139 182.2044 73 Y 5.1162 6.9718 114.1164 56.7302 40.5812 175.4090 74 D 4.7544 9.1891 121.7832 55.7375 41.9092 176.4873 75 A 4.5513 7.3535 117.3730 51.2016 22.5531 175.0934 76 V 4.7415 8.3191 120.1546 61.0369 34.6099 174.4577 77 V 4.4246 8.8494 128.1969 61.4283 33.4445 174.1356 78 A 4.9417 8.5677 130.0140 49.6793 20.8659 175.2003 79 L 5.2525 7.9832 123.0992 52.6254 44.4740 176.4109 80 G 4.2123 7.6949 108.5636 45.9990 0.0000 171.8446 81 T 5.0898 8.5226 115.9907 61.5257 72.0612 174.3347 82 V 4.2181 9.0577 125.2928 61.3405 34.1153 173.7987 83 I 4.7643 8.1805 128.6799 59.5118 38.6219 176.0155 84 R 3.6463 8.5483 128.0244 56.6205 30.2956 176.4209 85 G 4.4259 8.3395 115.8474 44.3700 0.0000 173.0252 86 G 3.6428 8.7898 107.7493 47.4736 0.0000 173.3024 87 T 4.5299 7.5983 108.3104 59.7003 71.5856 173.4772 88 A 4.4820 8.3719 121.2730 52.7538 18.8287 178.6896 89 H 4.3000 8.3730 120.1034 60.2775 29.8942 176.9048 90 F 4.0195 8.4816 122.0228 61.5644 39.0000 176.6127 91 E 3.6139 7.9526 118.2374 59.5725 29.3328 178.3976 92 Y 4.3268 7.4172 115.8592 60.7473 38.1803 177.5674 93 V 3.6818 7.6921 119.3121 65.8495 31.6683 177.8309 94 A 4.0826 7.8506 120.2213 55.0985 18.0635 179.7299 95 G 3.5998 8.1263 104.6986 47.8200 0.0000 176.1319 96 G 3.8425 8.6352 108.4145 45.9396 0.0000 174.7910 97 A 4.2784 7.8868 122.7473 54.2553 19.7144 179.1737 98 S 4.1238 8.1748 111.6419 61.8022 62.4341 176.2480 99 N 4.4395 8.5261 119.4977 55.9335 38.3240 177.3860 100 G 3.7522 7.7244 106.8557 48.1161 0.0000 175.5429 101 L 3.9895 8.0185 121.6774 57.2124 41.8050 179.5487 102 A 3.9908 8.0469 120.6457 55.0830 18.1944 179.5984 103 S 3.9525 8.2451 111.6230 61.5217 62.5156 176.1556 104 V 3.5377 7.7248 120.7554 66.2880 31.1623 177.7590 105 A 4.3692 7.8329 121.1705 54.8079 17.9979 179.4323 106 Q 3.9206 7.6493 116.3800 59.2136 29.1584 177.8326 107 D 4.5155 8.1199 119.5503 57.1408 41.2002 178.5514 108 S 4.3318 8.2304 112.9658 58.8567 63.4090 175.6296 109 G 3.8917 8.0598 109.3303 45.6343 0.0000 173.6892 110 V 3.9610 7.5678 121.1031 61.6352 32.9664 173.6050 111 P 4.5584 0.0000 0.0000 62.6431 32.4969 175.1779 112 V 4.8370 8.3990 123.4696 61.0214 34.1491 174.1979 113 A 4.4791 8.7850 130.0608 50.8712 20.5312 176.1848 114 F 4.8231 9.0241 126.6436 56.1868 38.5742 175.8975 115 G 3.9970 8.1251 118.3148 44.9843 0.0000 170.8557 116 V 4.6291 6.0999 117.6443 60.5436 33.8673 176.0070 117 L 4.2583 8.7933 129.5128 55.0987 42.7480 176.6098 118 T 5.0987 8.7469 112.8951 58.7500 68.7980 172.6598 119 T 4.5967 8.1599 120.9154 61.0309 72.0419 175.1236 120 E 4.0730 9.7629 120.6862 57.3469 30.4292 177.2048 121 S 4.6993 7.5753 112.0700 55.5853 67.5919 174.8232 122 I 3.6756 8.2268 123.0886 64.2924 36.6146 177.8909 123 E 3.8988 8.2191 118.9059 59.8561 29.7257 178.7100 124 Q 4.2896 8.0852 117.2874 58.8317 28.7945 178.5757 125 A 4.0305 7.7888 121.9553 55.4062 18.2639 179.7491 126 I 3.7611 7.8851 118.1872 64.6177 37.1161 178.5494 127 E 4.5459 8.0899 120.3040 58.0505 29.2915 178.4062 128 R 4.5389 7.9188 115.6981 55.6470 30.5757 176.6240 129 A 4.7919 7.2263 121.8153 52.7161 19.5048 177.1766 130 G 4.4572 8.0476 107.9556 48.1032 0.0000 175.4122 131 T 4.6085 7.5304 115.0710 60.0612 68.8342 175.7856 132 K 3.8045 9.1851 117.0534 59.2901 31.8017 177.7708 133 A 4.5844 7.8002 119.4589 51.9822 19.9966 178.7554 134 G 3.7629 8.0800 110.9553 47.1696 0.0000 173.6623 135 N 5.3002 8.2241 117.2327 50.9002 40.7415 175.5563 136 K 3.9740 8.9128 128.7699 59.1414 32.1483 178.9547 137 G 4.0749 8.2955 107.6409 47.3272 0.0000 175.5238 138 A 4.1037 7.9007 123.3139 54.4384 18.4162 179.2324 139 E 3.8528 8.3941 117.8410 59.3361 29.7284 178.9289 140 A 4.0897 8.5983 122.3343 54.3952 18.4048 179.4180 141 A 3.9114 8.1201 119.3769 55.2637 18.3972 179.9105 142 L 3.9122 8.0779 117.7075 58.2400 41.5970 179.8750 143 T 3.8814 8.1212 109.4512 64.6400 68.4490 176.0909 144 A 4.0207 8.0530 123.6543 55.0373 18.3268 179.1592 145 L 3.8952 7.8713 116.9896 58.2211 41.7561 179.3811 146 E 4.1006 8.5223 119.1415 59.7901 29.4119 178.8584 147 M 4.0238 8.1113 118.4396 58.4125 31.9570 178.3708 148 I 3.6888 7.7724 119.9653 64.9124 37.2717 178.1143 149 N 4.3278 7.9640 116.6566 56.2228 38.1576 177.5859 150 V 3.5781 7.8309 118.9282 66.1269 31.7861 177.8811 151 L 4.0763 8.3897 118.9484 57.7015 41.3795 179.1512 152 K 3.8292 8.1752 118.8317 59.4983 32.1281 176.8618 153 A 4.4722 8.1157 120.4321 51.8181 19.5412 177.2301 154 I 3.8626 7.8120 121.0437 63.1704 37.7777 173.9081 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.60 4.69 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.81 4.60 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.39 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 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.45 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.58 1.26 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 0.00 0.00 7 N 8.22 5.06 0.00 2.66 2.67 0.00 0.00 6.97 7.71 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 8 V 8.18 3.87 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.09 4.27 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 10 A 8.28 4.59 1.23 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 0.00 0.00 11 P 0.00 4.69 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.06 4.77 0.00 2.69 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 13 A 7.60 4.59 1.26 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 0.00 0.00 14 R 9.49 4.84 0.00 1.42 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.95 4.95 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 0.85 0.00 0.00 0.95 0.00 0.00 16 A 8.55 4.92 0.26 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 0.00 0.00 17 I 8.71 4.84 1.68 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 1.16 0.91 0.69 0.00 0.00 18 T 8.63 4.93 4.14 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 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.39 5.16 0.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.03 0.33 0.00 0.00 20 A 8.42 5.11 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 21 R 9.29 4.43 0.00 2.07 2.50 0.00 2.86 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 22 F 8.20 4.65 0.00 3.15 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 23 N 9.86 4.68 0.00 2.97 3.00 0.00 0.00 6.88 8.14 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 24 Q 8.25 4.16 0.00 2.53 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 25 F 8.49 4.01 0.00 3.13 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 26 I 8.27 4.18 2.11 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 1.66 1.21 0.95 0.00 0.00 27 N 8.28 4.37 0.00 2.87 2.92 0.00 0.00 7.08 8.08 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 28 D 8.65 4.56 0.00 2.65 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 29 S 7.96 4.08 0.00 3.81 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 30 L 7.74 4.07 0.00 1.93 1.62 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.48 3.86 0.00 1.77 1.77 0.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.48 4.50 0.00 2.87 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 33 G 8.17 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 34 A 7.90 4.00 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 35 V 7.95 3.44 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 0.97 0.00 0.00 0.93 0.00 0.00 36 D 8.18 4.31 0.00 2.82 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 37 A 8.33 3.91 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 38 L 8.55 3.87 0.00 1.84 1.74 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.22 4.19 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 40 R 8.26 3.86 0.00 1.80 2.23 0.00 3.24 0.00 0.00 3.59 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.05 4.08 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 42 G 7.94 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 43 Q 8.26 3.63 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.55 3.81 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 0.88 0.00 0.00 1.03 0.00 0.00 45 K 8.59 4.32 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.82 4.65 0.00 2.83 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 47 D 7.98 4.79 0.00 2.78 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 48 N 8.49 4.72 0.00 2.88 2.99 0.00 0.00 6.91 6.99 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 49 I 7.59 4.91 1.88 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 1.40 0.53 0.88 0.00 0.00 50 T 8.81 4.71 4.32 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 1.54 0.00 0.00 51 V 8.41 4.61 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.83 0.00 0.00 52 V 9.03 4.31 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.92 0.00 3.20 3.18 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 0.00 54 V 8.69 4.38 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 0.85 0.00 0.00 0.99 0.00 0.00 55 P 0.00 4.31 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.97 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 57 A 8.49 4.07 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 58 Y 8.17 4.20 0.00 2.92 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 59 E 8.20 4.13 0.00 2.00 2.00 0.00 0.00 0.00 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 2.58 0.00 60 L 7.56 3.91 0.00 1.79 1.71 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.03 1.85 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 62 L 7.72 3.84 0.00 1.63 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.84 3.98 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 64 T 8.18 3.81 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 1.29 0.00 0.00 65 E 8.89 3.85 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 66 A 7.99 4.01 1.42 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 67 L 7.58 4.10 0.00 1.77 1.67 0.63 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.39 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.24 3.92 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.12 4.20 0.00 3.92 4.22 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 0.00 0.00 0.00 0.00 71 G 8.58 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 72 K 7.66 3.94 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.97 5.12 0.00 3.12 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 74 D 9.19 4.75 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 75 A 7.35 4.55 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 76 V 8.32 4.74 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 0.84 0.00 0.00 0.85 0.00 0.00 77 V 8.85 4.42 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.57 4.94 1.21 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 0.00 0.00 79 L 7.98 5.25 0.00 1.50 1.40 0.80 0.66 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 80 G 7.69 4.21 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 0.00 0.00 0.00 81 T 8.52 5.09 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 1.19 0.00 0.00 82 V 9.06 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.76 1.85 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 1.24 0.70 0.84 0.00 0.00 84 R 8.55 3.65 0.00 0.67 1.39 0.00 3.06 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 85 G 8.34 4.43 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 0.00 0.00 0.00 86 G 8.79 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 87 T 7.60 4.53 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 1.24 0.00 0.00 88 A 8.37 4.48 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 89 H 8.37 4.30 0.00 3.29 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.02 0.00 3.10 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 91 E 7.95 3.61 0.00 1.95 1.12 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 2.00 2.18 0.00 92 Y 7.42 4.33 0.00 2.99 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 93 V 7.69 3.68 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 1.06 0.00 0.00 0.73 0.00 0.00 94 A 7.85 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.13 3.60 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 0.00 96 G 8.64 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.89 4.28 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 98 S 8.17 4.12 0.00 3.72 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.53 4.44 0.00 2.79 2.82 0.00 0.00 6.95 8.40 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 0.00 100 G 7.72 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 0.00 0.00 0.00 101 L 8.02 3.99 0.00 1.88 1.81 1.03 1.09 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 0.00 102 A 8.05 3.99 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 0.00 103 S 8.25 3.95 0.00 3.96 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 0.00 104 V 7.72 3.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.91 0.00 0.00 105 A 7.83 4.37 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 0.00 0.00 106 Q 7.65 3.92 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 107 D 8.12 4.52 0.00 2.69 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 0.00 108 S 8.23 4.33 0.00 4.03 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 0.00 109 G 8.06 3.89 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 0.00 0.00 0.00 110 V 7.57 3.96 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 0.96 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.56 0.00 2.12 1.96 0.00 3.78 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 2.12 2.09 0.00 112 V 8.40 4.84 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 0.81 0.00 0.00 0.93 0.00 0.00 113 A 8.79 4.48 1.27 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 0.00 0.00 0.00 114 F 9.02 4.82 0.00 3.00 3.01 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 0.00 115 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 6.10 4.63 1.27 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 0.68 0.00 0.00 -0.07 0.00 0.00 117 L 8.79 4.26 0.00 1.61 1.58 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.75 5.10 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 119 T 8.16 4.60 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 1.23 0.00 0.00 120 E 9.76 4.07 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 121 S 7.58 4.70 0.00 3.95 3.86 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 0.00 122 I 8.23 3.68 1.84 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 1.47 0.50 0.87 0.00 0.00 123 E 8.22 3.90 0.00 1.93 2.00 0.00 0.00 0.00 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 2.50 0.00 124 Q 8.09 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.79 4.03 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 0.00 126 I 7.89 3.76 2.01 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 1.88 0.93 0.99 0.00 0.00 127 E 8.09 4.55 0.00 2.28 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 0.00 2.34 2.38 0.00 128 R 7.92 4.54 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 129 A 7.23 4.79 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 0.00 130 G 8.05 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.53 4.61 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 1.27 0.00 0.00 132 K 9.19 3.80 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.80 4.58 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 0.00 134 G 8.08 3.76 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 0.00 0.00 0.00 135 N 8.22 5.30 0.00 2.70 2.65 0.00 0.00 6.93 7.11 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 0.00 136 K 8.91 3.97 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.30 4.07 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 0.00 0.00 0.00 138 A 7.90 4.10 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 0.00 139 E 8.39 3.85 0.00 2.04 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 2.31 2.33 0.00 140 A 8.60 4.09 1.36 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 0.00 0.00 0.00 141 A 8.12 3.91 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 0.00 142 L 8.08 3.91 0.00 1.99 1.72 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.12 3.88 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 1.26 0.00 0.00 144 A 8.05 4.02 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 0.00 145 L 7.87 3.90 0.00 1.86 1.90 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.52 4.10 0.00 2.00 1.96 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 2.31 2.37 0.00 147 M 8.11 4.02 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 148 I 7.77 3.69 2.06 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 1.68 0.93 0.92 0.00 0.00 149 N 7.96 4.33 0.00 2.82 2.86 0.00 0.00 6.74 8.67 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 0.00 150 V 7.83 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.96 0.00 0.00 151 L 8.39 4.08 0.00 1.87 1.69 0.93 0.72 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 0.00 152 K 8.18 3.83 0.00 1.82 2.08 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.12 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.81 3.86 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 0.73 0.91 0.00 0.00