NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.5466 8.1876 119.6125 55.8249 30.8153 173.6408 3 I 4.4033 8.2183 115.8422 58.5380 41.5091 173.0620 4 F 5.4617 9.3601 121.4864 55.6967 42.5144 176.1146 5 V 4.7321 8.9538 123.0879 60.8978 34.1626 174.5160 6 K 4.8083 9.0698 130.9271 56.0587 32.1265 176.7467 7 T 4.6833 8.7331 119.6751 60.6616 70.1930 175.4420 8 L 4.2090 8.2932 120.3018 57.2532 41.8644 178.7582 9 T 4.0125 7.3593 107.3269 63.0904 69.0168 175.1106 10 G 3.9286 7.4689 108.5178 45.5042 0.0000 174.0528 11 K 4.3882 7.7659 118.6603 56.4990 33.9101 175.9408 12 T 5.1320 8.2690 117.1594 62.0076 71.2449 174.0616 13 I 4.5615 9.0990 120.4086 59.7885 40.5492 174.5255 14 T 5.0511 8.4426 119.7140 62.0672 70.5736 173.9885 15 L 4.7299 8.6573 125.3930 52.7083 45.3445 175.2728 16 E 4.4145 8.7886 125.0191 55.8791 30.1477 175.8229 17 V 4.6808 8.2111 119.0067 59.6201 36.0417 174.2711 18 E 4.7648 8.9470 118.9780 53.8371 32.9927 175.5432 19 P 4.1502 0.0000 0.0000 65.6635 31.4556 177.9461 20 S 4.6054 7.7970 110.5510 57.9557 63.6593 173.9532 21 D 4.3407 8.0263 122.4312 55.0564 41.3065 176.9144 22 T 4.6204 8.4631 114.2086 61.3358 71.1276 175.7012 23 I 3.7751 8.3548 122.2496 64.1738 36.9766 178.2910 24 E 3.9211 8.3208 120.4101 59.5039 29.4174 178.6884 25 N 4.2982 7.8784 115.9481 56.3075 38.5852 177.5038 26 V 3.5527 7.6470 119.0892 66.0691 31.6522 178.1181 27 K 4.1913 8.6423 119.5673 58.7070 31.7306 179.1732 28 A 3.9551 7.9031 120.9306 55.0900 18.3635 179.5180 29 K 3.7983 7.9451 117.0213 59.9596 32.1039 179.4070 30 I 3.6933 7.8659 119.7256 64.5923 37.0402 178.3290 31 Q 4.0880 8.0992 121.5656 58.5186 28.5831 177.9416 32 D 4.3052 8.1076 119.5537 57.3427 41.0126 178.7147 33 K 4.1218 7.8352 117.2712 59.3730 32.3621 178.8148 34 E 4.4252 8.8055 116.3738 55.2679 30.1091 176.3713 35 G 3.9105 7.9126 106.8838 46.6299 0.0000 173.2490 36 I 4.4441 7.4283 118.6485 57.8214 40.4047 172.8075 37 P 4.4657 0.0000 0.0000 61.6323 32.1638 175.3845 38 P 4.3015 0.0000 0.0000 66.0117 31.4472 178.4143 39 D 4.3353 8.1413 116.3744 57.1261 40.9334 177.1366 40 Q 4.4824 8.4991 116.6786 56.1952 29.2443 174.7293 41 Q 4.9046 8.0570 118.8138 54.2536 31.3279 174.6130 42 R 4.6867 8.7787 123.0542 54.5345 33.3919 173.6523 43 L 5.1402 8.5641 125.8786 53.1340 44.3172 175.1461 44 I 4.9273 9.4766 125.7849 59.4302 40.0758 174.3800 45 F 5.1456 9.1144 128.9032 56.7680 42.3506 174.7794 46 A 3.4486 9.2827 129.6242 53.1811 15.8270 177.2543 47 G 3.8273 8.2000 105.1126 46.0664 0.0000 173.2349 48 K 4.4653 7.9232 121.1040 53.8392 34.3009 174.9806 49 Q 4.5299 8.6968 128.1004 56.2201 29.6328 175.0199 50 L 4.3126 8.6023 126.9211 53.5562 43.3811 175.6304 51 E 4.5182 9.8131 124.6600 54.8892 31.1111 176.6190 52 D 4.4117 9.1147 126.3640 57.4755 41.0617 178.5758 53 G 3.8435 7.9846 104.8156 46.3819 0.0000 173.5544 54 R 4.5618 7.9071 119.9224 55.4688 32.3174 175.7677 55 T 4.8564 8.7144 111.3928 60.2217 71.3187 175.5793 56 L 4.1252 8.6171 122.5628 58.2603 42.0325 180.4254 57 S 4.0991 8.4430 113.3843 61.2462 63.1868 176.0876 58 D 4.1859 8.2662 120.6617 56.9501 40.5362 176.8194 59 Y 4.5631 7.5371 114.0175 56.7670 38.2700 174.8499 60 N 4.0602 8.0218 117.7909 54.4243 37.9406 174.9708 61 I 3.7535 7.9055 118.3599 60.5088 37.4516 176.3861 62 Q 4.4915 8.1174 124.9107 53.3846 30.7524 175.2924 63 K 4.0708 8.3395 117.8001 58.5297 32.2836 177.3282 64 E 3.8074 9.1722 119.9482 56.7724 28.3260 175.1764 65 S 4.4927 7.8630 115.8060 59.3050 64.2906 173.4831 66 T 5.1681 8.7064 119.1857 62.0027 70.3052 173.7618 67 L 4.7073 9.5053 128.3279 54.3351 43.5531 175.6225 68 H 4.9942 9.6516 121.7292 54.2592 30.4945 173.8949 69 L 4.9208 8.2970 126.3545 54.4206 42.9286 176.0495 70 V 4.5553 8.9622 125.8868 60.6593 35.0321 174.3177 71 L 4.5986 8.6125 128.7531 55.0964 42.9451 175.7135 72 R 4.6254 8.9069 126.6411 54.6495 31.6908 174.9950 73 L 4.8670 8.5326 125.2171 53.1673 44.8727 176.0085 74 R 4.6095 8.0911 118.0176 53.5992 33.9423 175.1571 75 G 4.4550 8.3619 118.2569 44.8630 0.0000 172.4037 76 G 4.1190 7.9946 110.9798 44.3518 0.0000 172.9330 77 M 4.0795 8.5105 120.3031 55.9087 33.1003 175.0630 78 Q 5.8022 8.8910 124.2559 53.3887 32.9310 174.3617 79 I 4.6217 7.7352 113.3277 59.2781 41.8297 173.6039 80 F 5.4144 8.8423 121.4002 55.8252 42.0878 175.0991 81 V 4.7488 8.7996 122.0333 61.1857 33.9962 174.5751 82 K 4.9998 9.0227 128.5243 55.9179 33.8936 176.6519 83 T 4.6744 8.2428 113.8116 59.8955 71.1533 175.3425 84 L 3.9028 8.7239 124.0908 58.3651 41.8142 178.3352 85 T 4.4275 7.8330 105.7426 61.5342 69.1014 175.5622 86 G 3.8997 8.0323 109.2651 46.2770 0.0000 174.7768 87 K 4.0813 7.7777 121.4081 56.5306 32.7995 175.3143 88 T 5.1230 8.3162 121.6317 61.9575 70.6280 173.6363 89 I 4.3915 8.5698 127.4690 60.5154 39.1762 174.7598 90 T 4.9963 8.5108 122.7338 61.9499 70.3684 173.9225 91 L 4.7969 8.8095 125.7360 52.8377 45.8938 175.4441 92 E 4.7223 8.6253 122.3847 55.9593 30.7908 175.9753 93 V 5.0222 8.7708 117.7628 59.9622 36.4763 174.2291 94 E 4.7159 9.1696 119.1599 54.1264 33.5217 175.7514 95 P 4.2081 0.0000 0.0000 65.8751 31.4960 178.5096 96 S 4.4051 7.8912 109.7077 59.1753 63.6673 174.1406 97 D 4.4094 7.9337 123.2460 54.7620 41.2531 176.2673 98 T 4.7811 8.3196 113.6953 61.0195 71.6023 176.0799 99 I 3.7949 8.2043 122.1923 64.0884 36.9920 178.3354 100 E 3.9165 8.2442 120.0696 59.4284 29.4432 178.4397 101 N 4.3003 8.0543 116.2302 56.4856 38.6545 177.4796 102 V 3.6023 7.7575 119.4753 65.9515 31.4424 178.2182 103 K 4.2024 8.5930 119.4150 58.9490 32.0488 178.9971 104 A 3.9880 8.1050 120.9914 55.3785 18.2586 179.8789 105 K 4.4389 8.0403 118.0619 58.8698 32.0590 179.7724 106 I 3.7656 7.6982 120.5112 64.2531 37.0158 177.9981 107 Q 4.2112 8.4173 120.8089 59.2687 28.6466 178.2771 108 D 4.3288 7.9027 119.4880 57.4146 40.7046 179.0048 109 K 4.0266 7.8195 117.2931 58.7378 32.2919 177.8953 110 E 4.4554 8.5603 115.6481 55.3105 31.3061 177.1109 111 G 3.8763 8.2900 106.5906 45.6748 0.0000 173.1728 112 I 4.1249 7.5006 120.2465 59.1591 38.1317 174.1815 113 P 4.3573 0.0000 0.0000 62.2014 32.0621 175.5189 114 P 4.2597 0.0000 0.0000 65.9722 31.3594 177.8506 115 D 4.6222 8.0484 114.6918 55.6544 41.0797 176.3507 116 Q 4.6858 8.1230 118.0591 55.7413 30.3013 174.8354 117 Q 4.8308 8.1187 120.1034 54.5006 31.0013 174.8165 118 R 4.7600 9.3457 122.6932 54.2843 33.7012 174.4966 119 L 5.2449 8.5356 122.7791 52.9642 44.9614 175.2645 120 I 5.0009 8.8730 124.1379 59.4669 40.7275 174.4148 121 F 4.9940 9.6976 128.4615 56.6260 42.4584 174.4087 122 A 3.2552 8.7307 129.4262 53.2784 15.4640 178.0466 123 G 3.8800 7.7446 106.2003 45.7847 0.0000 172.8413 124 K 4.3177 7.8995 122.3301 54.7431 33.2553 174.9162 125 Q 4.4979 8.5157 127.9786 56.0017 29.5308 175.1339 126 L 4.2699 8.9285 127.1014 54.0308 42.9579 175.8573 127 E 4.7555 8.9107 121.5796 54.5119 31.7119 176.0286 128 D 4.3854 8.7146 123.7853 55.4748 41.6567 175.6756 129 G 4.2413 8.8475 109.6211 45.7047 0.0000 174.5840 130 R 4.3305 7.4789 117.6695 55.4051 31.4089 175.9587 131 T 4.9460 8.4239 110.9987 59.8906 70.9623 175.9478 132 L 4.0684 8.6393 122.4568 57.9541 42.1465 180.1031 133 S 4.0630 8.1737 113.1911 61.3697 62.4787 175.7724 134 D 4.2665 7.7052 118.5761 57.2282 40.4975 177.0149 135 Y 4.6405 7.2721 112.9969 57.1411 38.3250 174.9608 136 N 4.1644 7.8118 116.3978 54.2020 36.6708 174.8258 137 I 3.5951 7.7859 119.3511 60.7720 37.4015 176.2236 138 Q 4.5539 8.6897 125.5893 53.1576 31.0281 175.2862 139 K 4.1865 8.3067 117.8996 58.6733 32.6425 176.5701 140 E 3.5849 9.2271 119.6298 57.1877 27.9235 174.9873 141 S 4.6579 7.9124 115.6005 58.9755 64.3973 173.1831 142 T 5.2529 8.7075 117.5499 62.0842 71.0009 173.7263 143 L 5.0600 9.4947 126.5498 53.5634 45.0063 174.9639 144 H 5.2071 9.0150 118.1908 54.0392 31.5165 172.8576 145 L 5.0084 8.8149 126.2827 53.6784 43.2668 175.7276 146 V 4.5542 9.1207 126.0323 61.0197 35.0391 173.8251 147 L 5.6591 8.4081 126.0094 52.2979 43.7866 176.1474 148 R 4.2292 8.6821 125.0341 55.3074 30.2178 176.1284 149 L 4.2672 8.2991 125.4788 54.8353 41.8752 176.9814 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 2 Q 8.19 4.55 0.00 1.76 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 3 I 8.22 4.40 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 1.09 1.32 0.76 0.00 0.00 4 F 9.36 5.46 0.00 2.95 2.90 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 0.00 0.00 0.00 5 V 8.95 4.73 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 0.83 0.00 0.00 0.93 0.00 0.00 6 K 9.07 4.81 0.00 1.82 1.66 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.44 7.81 7 T 8.73 4.68 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 1.29 0.00 0.00 8 L 8.29 4.21 0.00 1.67 1.78 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.36 4.01 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 10 G 7.47 3.93 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 0.00 0.00 0.00 11 K 7.77 4.39 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.57 7.81 12 T 8.27 5.13 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 1.25 0.00 0.00 13 I 9.10 4.56 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 0.97 0.00 0.00 14 T 8.44 5.05 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 0.95 0.00 0.00 15 L 8.66 4.73 0.00 1.43 1.46 0.89 0.59 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 16 E 8.79 4.41 0.00 1.92 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 2.36 0.00 17 V 8.21 4.68 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 0.75 0.00 0.00 0.84 0.00 0.00 18 E 8.95 4.76 0.00 2.07 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 2.19 2.21 0.00 19 P 0.00 4.15 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 20 S 7.80 4.61 0.00 3.84 3.88 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 8.03 4.34 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.46 4.62 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 1.22 0.00 0.00 23 I 8.35 3.78 2.09 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 1.82 1.15 0.91 0.00 0.00 24 E 8.32 3.92 0.00 2.23 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 2.32 2.38 0.00 25 N 7.88 4.30 0.00 2.98 2.84 0.00 0.00 6.70 8.96 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 26 V 7.65 3.55 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 1.00 0.00 0.00 0.97 0.00 0.00 27 K 8.64 4.19 0.00 1.98 1.86 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.53 7.81 28 A 7.90 3.96 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 29 K 7.95 3.80 0.00 1.97 1.88 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.60 7.81 30 I 7.87 3.69 2.15 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 1.06 0.94 0.00 0.00 31 Q 8.10 4.09 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.11 4.31 0.00 2.89 2.71 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 33 K 7.84 4.12 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.48 1.48 7.81 34 E 8.81 4.43 0.00 2.01 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 2.29 2.46 0.00 35 G 7.91 3.91 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 0.00 0.00 0.00 36 I 7.43 4.44 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 1.42 1.46 0.92 0.00 0.00 37 P 0.00 4.47 0.00 2.22 1.95 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 38 P 0.00 4.30 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.77 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 39 D 8.14 4.34 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 40 Q 8.50 4.48 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 41 Q 8.06 4.90 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 42 R 8.78 4.69 0.00 1.86 1.73 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.56 5.14 0.00 1.59 1.53 0.90 0.76 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 44 I 9.48 4.93 1.91 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 1.26 1.31 0.89 0.00 0.00 45 F 9.11 5.15 0.00 2.91 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 46 A 9.28 3.45 0.45 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 47 G 8.20 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 0.00 0.00 0.00 48 K 7.92 4.47 0.00 1.89 1.63 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 49 Q 8.70 4.53 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.60 4.31 0.00 1.40 1.19 0.77 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.81 4.52 0.00 2.17 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 2.30 2.33 0.00 52 D 9.11 4.41 0.00 2.85 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 53 G 7.98 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 54 R 7.91 4.56 0.00 2.05 1.57 0.00 3.16 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 55 T 8.71 4.86 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 1.28 0.00 0.00 56 L 8.62 4.13 0.00 1.80 1.72 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.44 4.10 0.00 4.00 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 0.00 58 D 8.27 4.19 0.00 2.54 2.43 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 59 Y 7.54 4.56 0.00 3.06 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 60 N 8.02 4.06 0.00 2.81 2.93 0.00 0.00 7.10 8.73 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 61 I 7.91 3.75 1.68 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 -0.20 0.47 0.54 0.00 0.00 62 Q 8.12 4.49 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 63 K 8.34 4.07 0.00 1.73 1.74 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 64 E 9.17 3.81 0.00 2.16 2.29 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 2.45 2.35 0.00 65 S 7.86 4.49 0.00 3.68 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.71 5.17 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 67 L 9.51 4.71 0.00 1.72 1.59 0.72 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.65 4.99 0.00 3.04 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.30 4.92 0.00 1.65 1.77 0.97 1.21 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 70 V 8.96 4.56 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 0.90 0.00 0.00 0.95 0.00 0.00 71 L 8.61 4.60 0.00 1.69 1.56 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.91 4.63 0.00 1.80 1.80 0.00 3.27 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 73 L 8.53 4.87 0.00 1.65 1.55 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.09 4.61 0.00 1.74 1.78 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 75 G 8.36 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 0.00 0.00 0.00 0.00 76 G 7.99 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 0.00 0.00 0.00 0.00 77 M 8.51 4.08 0.00 2.25 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 78 Q 8.89 5.80 0.00 1.74 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.19 0.00 79 I 7.74 4.62 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.12 0.81 0.00 0.00 80 F 8.84 5.41 0.00 2.98 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 81 V 8.80 4.75 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 1.00 0.00 0.00 0.94 0.00 0.00 82 K 9.02 5.00 0.00 1.60 1.70 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.34 7.81 83 T 8.24 4.67 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 1.30 0.00 0.00 84 L 8.72 3.90 0.00 1.61 1.78 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.83 4.43 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 86 G 8.03 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.78 4.08 0.00 1.84 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.42 7.81 88 T 8.32 5.12 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 1.33 0.00 0.00 89 I 8.57 4.39 1.90 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 1.39 0.76 0.93 0.00 0.00 90 T 8.51 5.00 4.29 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 1.18 0.00 0.00 91 L 8.81 4.80 0.00 1.44 1.46 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.63 4.72 0.00 1.86 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 2.43 2.25 0.00 93 V 8.77 5.02 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 0.63 0.00 0.00 0.91 0.00 0.00 94 E 9.17 4.72 0.00 1.84 1.75 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 2.19 2.23 0.00 95 P 0.00 4.21 0.00 2.15 2.09 0.00 3.57 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 2.10 2.06 0.00 96 S 7.89 4.41 0.00 3.96 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 97 D 7.93 4.41 0.00 2.87 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 98 T 8.32 4.78 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 1.21 0.00 0.00 99 I 8.20 3.79 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.14 0.93 0.00 0.00 100 E 8.24 3.92 0.00 2.04 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 2.39 2.42 0.00 101 N 8.05 4.30 0.00 3.06 2.84 0.00 0.00 6.71 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.76 3.60 2.20 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 1.01 0.00 0.00 0.94 0.00 0.00 103 K 8.59 4.20 0.00 2.00 1.84 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.65 1.51 7.81 104 A 8.11 3.99 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 0.00 105 K 8.04 4.44 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 106 I 7.70 3.77 2.13 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 0.71 0.95 0.00 0.00 107 Q 8.42 4.21 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 108 D 7.90 4.33 0.00 2.93 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 0.00 109 K 7.82 4.03 0.00 1.76 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 110 E 8.56 4.46 0.00 1.88 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 2.24 2.36 0.00 111 G 8.29 3.88 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 0.00 0.00 0.00 112 I 7.50 4.12 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 1.42 0.60 0.92 0.00 0.00 113 P 0.00 4.36 0.00 2.17 1.99 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 114 P 0.00 4.26 0.00 2.18 2.11 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 115 D 8.05 4.62 0.00 2.67 2.71 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 0.00 116 Q 8.12 4.69 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 117 Q 8.12 4.83 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 118 R 9.35 4.76 0.00 1.73 1.79 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 119 L 8.54 5.24 0.00 1.54 1.52 0.91 0.80 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 0.00 120 I 8.87 5.00 1.91 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 1.10 0.59 0.93 0.00 0.00 121 F 9.70 4.99 0.00 2.76 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 0.00 122 A 8.73 3.26 0.73 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 0.00 0.00 123 G 7.74 3.88 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 0.00 0.00 0.00 124 K 7.90 4.32 0.00 1.78 1.85 0.00 1.55 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 125 Q 8.52 4.50 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 126 L 8.93 4.27 0.00 1.40 1.20 0.77 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.91 4.76 0.00 2.04 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 2.34 2.51 0.00 128 D 8.71 4.39 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 0.00 129 G 8.85 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 0.00 0.00 0.00 0.00 130 R 7.48 4.33 0.00 2.04 1.59 0.00 3.26 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 1.56 1.66 0.00 131 T 8.42 4.95 4.29 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 1.24 0.00 0.00 132 L 8.64 4.07 0.00 1.86 1.70 0.86 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.17 4.06 0.00 4.08 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 0.00 134 D 7.71 4.27 0.00 2.38 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 0.00 0.00 0.00 135 Y 7.27 4.64 0.00 3.10 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 0.00 136 N 7.81 4.16 0.00 2.99 3.04 0.00 0.00 6.94 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 0.00 137 I 7.79 3.60 1.75 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.57 0.00 0.00 138 Q 8.69 4.55 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 139 K 8.31 4.19 0.00 1.80 1.80 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.45 7.81 140 E 9.23 3.58 0.00 2.18 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 2.35 2.25 0.00 141 S 7.91 4.66 0.00 3.71 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 0.00 142 T 8.71 5.25 4.37 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 1.26 0.00 0.00 143 L 9.49 5.06 0.00 1.61 1.58 0.78 0.84 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 0.00 144 H 9.02 5.21 0.00 3.07 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.81 5.01 0.00 1.63 1.72 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 146 V 9.12 4.55 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 0.93 0.00 0.00 0.94 0.00 0.00 147 L 8.41 5.66 0.00 1.54 1.56 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.68 4.23 0.00 1.82 1.88 0.00 3.39 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 149 L 8.30 4.27 0.00 1.67 1.55 0.92 0.95 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