NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.3285 8.1733 120.1359 56.7323 34.6719 177.6569 12 M 3.8890 8.1992 118.4857 58.1145 31.8456 177.0273 13 K 3.9328 8.9165 119.3792 59.6058 32.5951 179.0658 14 K 4.0627 7.9894 118.0951 59.3912 31.9992 179.4081 15 I 3.7272 7.7577 120.1190 64.2998 37.1025 178.6290 16 V 3.6140 7.9839 119.1317 66.2331 31.4024 177.7179 17 D 4.4229 8.6197 118.7789 57.3868 40.4181 178.7790 18 A 4.0193 8.0357 120.4091 55.0258 18.8118 179.6880 19 V 3.8746 8.0792 116.7925 66.3960 31.5081 178.3725 20 I 3.8221 8.1441 118.5646 64.3190 36.9995 178.0679 21 K 4.0972 8.2414 119.6352 58.4182 33.0042 177.1609 22 Y 5.1558 7.7656 120.2913 56.0665 37.1483 175.2771 23 K 4.5687 7.4159 118.5376 54.8931 35.7341 175.8798 24 D 4.3414 8.4428 122.0997 54.8866 41.0147 178.0009 25 S 3.9198 8.5602 121.4796 58.2028 62.1255 172.7675 26 S 4.3166 8.4629 114.9693 60.6628 62.8740 175.8638 27 S 4.3146 8.0468 113.5224 58.6440 63.4566 174.3107 28 G 4.1926 7.5346 109.0045 46.5359 0.0000 173.2666 29 R 4.4056 7.7192 118.1547 54.3663 31.7871 176.1266 30 Q 4.4725 7.7753 118.7962 54.4564 30.9938 174.3681 31 L 3.9373 8.3058 116.6643 58.1284 41.5079 179.1564 32 S 4.2466 7.7992 113.4284 59.8990 62.6864 175.4327 33 E 4.0653 7.8681 122.9583 58.8142 28.9945 178.6701 34 V 3.4596 6.9951 117.5339 64.8535 31.5547 176.3214 35 F 5.1188 7.7814 116.3129 57.3940 39.3791 177.5688 36 I 3.9832 7.6424 125.0051 63.4827 37.2230 176.0883 37 Q 4.7309 7.9051 117.8129 53.8808 31.1131 174.7259 38 L 4.5675 8.4452 123.2648 52.5657 43.0410 175.4384 39 P 4.5107 0.0000 0.0000 62.6093 32.3529 175.3663 40 S 4.6195 8.2580 111.7093 57.2237 63.6605 175.3096 41 R 3.9190 8.4272 123.2109 59.2915 30.0258 179.6065 42 K 4.0489 7.9083 116.0774 59.3072 32.4190 178.2228 43 E 4.1243 8.0856 117.5543 58.9209 30.3142 177.2271 44 L 4.8101 8.0399 119.3897 51.9728 42.3916 174.6986 45 P 4.6968 0.0000 0.0000 64.7415 31.7633 178.1065 46 E 4.1384 8.3168 117.3652 59.5265 29.3594 178.3845 47 Y 4.4482 8.0727 119.3144 61.0264 38.6059 177.6126 48 Y 3.7080 8.0687 118.8644 60.7403 39.0761 177.3975 49 E 4.2223 8.1134 118.5011 59.0639 29.6993 178.7667 50 L 4.2954 8.6284 119.9632 56.4452 42.4796 176.9480 51 I 4.4011 7.8192 119.3611 59.5358 39.3280 177.1081 52 R 3.9366 8.0623 126.9792 52.8165 28.3328 176.8962 53 K 4.0370 7.2578 118.6770 56.1980 29.5253 172.9475 54 P 4.1308 0.0000 0.0000 62.0687 32.2544 177.1811 55 V 4.4279 8.0526 115.4965 59.3143 34.5203 174.6522 56 D 5.2285 8.0857 121.3280 50.9582 43.7406 176.5764 57 F 4.0482 9.1939 121.2793 61.1719 39.2148 177.0990 58 K 4.0407 8.1010 118.7406 59.8304 32.4058 179.3414 59 K 3.9122 7.8236 118.3465 59.2715 31.8965 179.4284 60 I 3.6144 7.4889 119.5580 64.1832 36.5819 178.3799 61 K 3.7718 8.1016 120.8421 59.5104 31.7422 178.7340 62 E 3.9427 8.3382 118.2324 59.2957 29.6656 179.2655 63 R 3.9028 7.8510 118.0787 59.2759 30.1070 179.0243 64 I 3.4805 7.7580 118.4593 63.7259 37.6210 177.6350 65 R 3.7519 7.2585 118.4186 58.6768 29.7567 176.5720 66 N 4.6225 7.6778 113.6303 52.7907 39.0493 174.2796 67 H 4.0981 8.3605 113.5872 57.0474 26.0918 176.2649 68 K 4.0383 7.9551 120.1021 59.3471 32.6348 178.0260 69 Y 5.0143 7.3551 114.1567 57.4553 39.1262 175.8206 70 R 4.7550 8.4132 117.0278 55.2361 33.3880 175.9078 71 S 4.7373 7.7696 114.5040 55.7115 67.7973 174.7773 72 L 4.0933 8.4839 126.0521 58.7704 40.3096 179.2509 73 N 4.2486 8.1046 117.2282 56.1550 38.6034 176.4394 74 D 4.1475 7.8968 118.8522 57.1896 41.3604 177.9639 75 L 3.4573 7.1912 119.5526 57.9872 42.0427 178.3918 76 E 4.1514 8.3607 119.4838 59.4237 29.5042 178.9236 77 K 3.9496 8.2686 118.6160 59.4867 31.9897 179.0870 78 D 4.2650 7.7697 118.7356 57.2322 40.8820 178.9182 79 V 3.4162 7.7486 118.6482 66.3279 31.4514 177.9873 80 M 4.0149 8.1963 118.5136 58.2383 31.7777 178.5380 81 L 3.9035 8.0348 120.5910 57.9655 42.3150 178.7278 82 L 3.8072 8.0117 120.4517 58.2230 42.0625 178.6926 83 C 3.8417 7.7187 116.1822 62.9075 28.0476 176.1625 84 Q 3.9945 7.7777 119.1109 59.1126 27.9229 178.6232 85 N 4.9081 8.5020 118.5522 55.7551 38.5318 177.3743 86 A 4.2021 7.8800 122.1055 55.3494 18.2581 179.7762 87 Q 4.3026 7.8252 115.3387 59.3295 29.0297 178.6638 88 T 4.0531 8.2712 117.0930 66.2852 68.2146 176.0968 89 F 4.1350 7.8432 120.0555 59.4295 40.0691 175.8480 90 N 4.7748 8.1589 114.5767 52.4739 39.5506 174.0699 91 L 4.7546 7.9709 119.9770 52.5603 44.7840 175.4924 92 E 2.6157 7.9882 117.3160 56.8869 30.6738 177.1560 93 G 4.0382 9.5406 111.5383 45.3735 0.0000 172.6211 94 S 4.5773 7.4917 110.3329 55.9490 67.0146 173.8747 95 L 4.0418 8.4376 125.0729 58.0062 41.3716 179.9453 96 I 3.7563 7.7457 119.2580 64.4227 37.0746 177.5787 97 Y 4.1309 8.1314 119.9493 60.7479 38.6810 177.6093 98 E 3.9405 8.3549 120.1774 59.5444 29.7658 178.5567 99 D 4.4076 8.2807 119.1668 57.3160 40.9382 178.9477 100 S 4.2367 8.1683 114.9177 61.3229 63.0094 176.7825 101 I 3.6140 7.4240 123.1365 64.0165 36.8900 178.4032 102 V 3.5934 7.6778 119.0611 66.0077 31.3720 177.8557 103 L 4.0113 7.8983 118.5930 57.9638 41.4420 179.2650 104 Q 4.0128 7.9048 118.7737 59.3261 28.9083 178.3356 105 S 4.1979 8.0092 115.3334 60.8849 62.5091 176.3671 106 V 3.6996 8.0468 120.8943 66.0331 31.3536 177.7347 107 F 4.3177 9.0851 120.8053 61.6382 38.9305 177.1746 108 T 3.8673 8.3481 115.6094 66.7037 68.2647 176.5179 109 S 4.0600 7.9132 114.6940 61.2626 62.3153 176.4230 110 V 3.3720 7.6011 120.7743 65.7915 31.2403 177.7810 111 R 3.7518 7.7134 118.3980 59.6674 29.6479 178.4851 112 Q 3.9294 8.1766 116.5435 58.8474 28.7541 178.3288 113 K 3.9523 7.7530 119.5961 59.4709 32.3663 177.9947 114 I 3.6985 8.2538 119.2998 64.4158 37.8788 175.8735 115 E 4.2407 8.0577 122.6622 56.5555 29.4742 176.4790 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 11 K 8.17 4.33 0.00 1.85 1.94 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 12 M 8.20 3.89 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 13 K 8.92 3.93 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.56 7.81 14 K 7.99 4.06 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 15 I 7.76 3.73 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.98 0.00 0.00 16 V 7.98 3.61 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 0.89 0.00 0.00 1.00 0.00 0.00 17 D 8.62 4.42 0.00 3.07 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 18 A 8.04 4.02 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 19 V 8.08 3.87 2.28 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 1.19 0.00 0.00 1.04 0.00 0.00 20 I 8.14 3.82 2.02 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 1.58 0.96 0.96 0.00 0.00 21 K 8.24 4.10 0.00 2.13 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.47 7.81 22 Y 7.77 5.16 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 23 K 7.42 4.57 0.00 1.89 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 24 D 8.44 4.34 0.00 3.08 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 25 S 8.56 3.92 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.46 4.32 0.00 3.86 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 27 S 8.05 4.31 0.00 3.96 3.98 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 28 G 7.53 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 0.00 0.00 0.00 0.00 29 R 7.72 4.41 0.00 1.77 1.82 0.00 3.37 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 30 Q 7.78 4.47 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.52 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 31 L 8.31 3.94 0.00 1.69 2.08 0.88 0.94 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 32 S 7.80 4.25 0.00 3.60 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 33 E 7.87 4.07 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 34 V 7.00 3.46 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 0.69 0.00 0.00 35 F 7.78 5.12 0.00 3.19 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 36 I 7.64 3.98 1.99 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.97 0.00 0.00 37 Q 7.91 4.73 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 38 L 8.45 4.57 0.00 1.83 1.65 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.51 0.00 2.23 2.14 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 40 S 8.26 4.62 0.00 3.88 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 41 R 8.43 3.92 0.00 1.71 1.74 0.00 2.67 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.88 0.00 42 K 7.91 4.05 0.00 1.72 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 43 E 8.09 4.12 0.00 2.09 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 2.30 0.00 44 L 8.04 4.81 0.00 1.73 1.59 0.69 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.70 0.00 2.25 2.11 0.00 3.98 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 2.15 2.05 0.00 46 E 8.32 4.14 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 2.57 2.49 0.00 47 Y 8.07 4.45 0.00 3.03 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 48 Y 8.07 3.71 0.00 3.08 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 49 E 8.11 4.22 0.00 2.12 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 0.00 2.59 2.57 0.00 50 L 8.63 4.30 0.00 1.90 2.07 1.02 1.53 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 I 7.82 4.40 1.60 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.11 0.76 0.00 0.00 52 R 8.06 3.94 0.00 1.70 1.77 0.00 3.13 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 53 K 7.26 4.04 0.00 1.64 2.00 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.03 0.97 7.81 54 P 0.00 4.13 0.00 1.86 1.19 0.00 3.31 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.43 0.00 55 V 8.05 4.43 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 0.73 0.00 0.00 0.87 0.00 0.00 56 D 8.09 5.23 0.00 3.12 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 57 F 9.19 4.05 0.00 3.31 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 58 K 8.10 4.04 0.00 1.99 2.10 0.00 1.44 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.59 7.81 59 K 7.82 3.91 0.00 2.19 1.88 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.83 7.81 60 I 7.49 3.61 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.90 1.06 0.00 0.00 61 K 8.10 3.77 0.00 1.74 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.38 7.81 62 E 8.34 3.94 0.00 2.18 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 2.31 2.32 0.00 63 R 7.85 3.90 0.00 1.87 1.55 0.00 3.08 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 64 I 7.76 3.48 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.34 0.89 0.00 0.00 65 R 7.26 3.75 0.00 1.97 1.89 0.00 3.26 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 66 N 7.68 4.62 0.00 2.76 2.76 0.00 0.00 7.04 7.72 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 67 H 8.36 4.10 0.00 3.28 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.96 4.04 0.00 1.51 1.38 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.20 7.81 69 Y 7.36 5.01 0.00 2.95 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 70 R 8.41 4.75 0.00 1.78 1.91 0.00 3.17 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 71 S 7.77 4.74 0.00 3.77 3.66 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 72 L 8.48 4.09 0.00 1.85 1.92 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.10 4.25 0.00 2.71 2.88 0.00 0.00 6.78 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 74 D 7.90 4.15 0.00 2.65 2.25 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 75 L 7.19 3.46 0.00 1.62 1.76 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.36 4.15 0.00 2.27 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 2.44 2.46 0.00 77 K 8.27 3.95 0.00 2.05 1.79 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 78 D 7.77 4.27 0.00 2.83 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 79 V 7.75 3.42 1.81 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 0.35 0.00 0.00 1.24 0.00 0.00 80 M 8.20 4.01 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 81 L 8.03 3.90 0.00 1.91 1.60 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.01 3.81 0.00 1.81 1.52 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 83 C 7.72 3.84 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.78 3.99 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 85 N 8.50 4.91 0.00 2.92 2.85 0.00 0.00 6.34 6.90 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 86 A 7.88 4.20 1.25 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 87 Q 7.83 4.30 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.82 0.00 0.00 0.00 0.00 0.00 2.62 2.43 0.00 88 T 8.27 4.05 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 1.27 0.00 0.00 89 F 7.84 4.14 0.00 3.16 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 90 N 8.16 4.77 0.00 3.05 2.90 0.00 0.00 7.01 8.01 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 91 L 7.97 4.75 0.00 1.46 1.47 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.99 2.62 0.00 1.64 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 1.96 2.07 0.00 93 G 9.54 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 94 S 7.49 4.58 0.00 3.86 3.72 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 95 L 8.44 4.04 0.00 1.78 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.75 3.76 2.01 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 1.55 0.98 1.18 0.00 0.00 97 Y 8.13 4.13 0.00 3.26 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 98 E 8.35 3.94 0.00 2.30 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 2.33 2.43 0.00 99 D 8.28 4.41 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 0.00 100 S 8.17 4.24 0.00 4.07 4.35 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 0.00 101 I 7.42 3.61 1.93 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 1.05 0.71 0.87 0.00 0.00 102 V 7.68 3.59 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 1.01 0.00 0.00 103 L 7.90 4.01 0.00 2.03 1.70 1.09 0.71 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 0.00 104 Q 7.90 4.01 0.00 2.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 105 S 8.01 4.20 0.00 4.22 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 0.00 106 V 8.05 3.70 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 1.41 0.00 0.00 1.15 0.00 0.00 107 F 9.09 4.32 0.00 3.39 3.25 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 0.00 108 T 8.35 3.87 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 109 S 7.91 4.06 0.00 3.86 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 0.00 110 V 7.60 3.37 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 0.86 0.00 0.00 0.76 0.00 0.00 111 R 7.71 3.75 0.00 1.77 1.93 0.00 3.09 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 112 Q 8.18 3.93 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 113 K 7.75 3.95 0.00 1.96 1.80 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.39 7.81 114 I 8.25 3.70 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.87 0.00 0.00 115 E 8.06 4.24 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00