NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9319 8.0544 114.0552 61.2328 33.6959 174.1703 2 H 3.6758 7.9230 124.5489 55.9284 27.0056 171.5138 3 L 4.5201 7.5498 123.2525 53.0429 44.1036 176.6642 4 T 4.1181 8.7451 113.1071 60.5153 69.9737 173.6505 5 P 4.1932 0.0000 0.0000 66.1697 31.2331 178.7535 6 E 4.0031 7.7008 116.5850 59.2868 29.2211 179.4918 7 E 3.9073 8.0935 118.6905 59.2196 29.6582 178.9432 8 K 3.7518 7.9650 119.1709 59.6410 32.1261 178.4786 9 S 4.0581 7.9483 112.5819 61.2933 62.3336 175.9937 10 A 4.0073 8.0396 123.5452 55.0166 18.1062 179.8372 11 V 3.4162 7.9107 117.0683 66.4119 31.6703 178.4852 12 T 4.0216 7.9781 109.4012 64.6213 68.3628 176.4047 13 A 4.0103 8.0560 122.9746 54.9837 18.7801 179.0913 14 L 3.9314 8.0755 118.9176 57.9686 42.1972 178.9418 15 W 4.3766 8.7329 128.4264 60.0158 30.4414 178.1227 16 G 3.7866 8.0275 104.5520 46.8847 0.0000 174.7221 17 K 4.4768 7.7378 118.2997 55.3104 32.7265 176.3768 18 V 3.8164 6.8122 120.6023 61.5601 32.0110 175.6934 19 N 4.4427 8.3713 125.9130 52.7354 38.8119 175.2016 20 V 3.4970 8.0760 128.4268 65.8569 31.7683 177.1539 21 D 4.3563 8.0897 118.0750 57.5906 40.7643 178.6378 22 E 3.8778 8.3529 118.7958 59.4670 29.4170 179.6815 23 V 3.6048 8.1638 118.8767 65.7180 31.4766 178.3731 24 G 3.6639 8.3936 105.9846 47.5949 0.0000 175.8901 25 G 3.6308 8.0096 108.3285 47.4804 0.0000 175.4132 26 E 3.8422 8.1635 121.5882 58.8622 29.6616 178.7467 27 A 3.9085 8.1861 121.1408 55.1084 18.5343 179.3754 28 L 3.9499 8.1232 119.0911 58.0824 42.1246 179.3822 29 G 3.5447 8.2249 105.8102 48.0129 0.0000 175.9434 30 R 3.8881 8.1980 121.1323 58.4766 29.9360 178.8289 31 L 3.9745 8.0471 120.3787 58.3878 42.2361 179.2405 32 L 4.0344 7.7669 119.7042 56.6755 41.2064 179.7233 33 V 3.5465 7.2753 117.8450 65.8141 31.7009 177.9822 34 V 3.5196 7.7501 116.9983 64.3112 32.8281 175.6025 35 Y 3.7488 7.2896 116.3679 54.4997 37.7720 174.2137 36 P 4.8640 0.0000 0.0000 63.9017 31.9336 178.3803 37 W 4.3614 8.1651 117.0656 59.5976 27.7609 177.8488 38 T 4.1724 7.6508 110.5861 64.3668 67.9663 175.8318 39 Q 4.4558 8.1433 121.0510 57.7800 28.4529 178.1102 40 R 3.7622 7.7160 117.0997 58.5557 29.3009 177.7750 41 F 4.3777 7.1505 116.1498 57.1692 39.7683 175.4828 42 F 4.5623 7.8757 118.5996 56.6398 39.8363 177.0850 43 E 4.0232 8.5009 122.1043 59.2274 29.5392 178.4381 44 S 4.7110 8.0962 110.5309 58.3819 63.3575 174.4313 45 F 4.4722 8.4374 118.9752 57.9717 39.6066 177.4824 46 G 3.8537 8.0727 107.5162 44.8538 0.0000 173.3905 47 D 4.4435 8.6536 123.6432 54.7344 41.1761 176.2616 48 L 4.8997 8.3363 126.7889 54.4886 42.9645 178.1312 49 S 4.3416 8.4072 116.7305 60.7259 63.4576 174.6828 50 T 4.7228 7.4119 109.9172 58.2342 72.8855 172.5749 51 P 4.1877 0.0000 0.0000 66.2252 31.4126 178.7542 52 D 4.3037 8.0816 116.6810 57.1460 40.5140 178.5882 53 A 3.9901 7.7198 120.5482 54.9758 18.7330 179.5530 54 V 3.6818 8.0123 116.9812 66.6150 31.4550 178.3217 55 M 4.2147 8.2050 117.3010 57.7134 31.8718 178.1084 56 G 3.9753 7.8695 103.4433 43.8749 0.0000 173.2713 57 N 4.4183 7.5144 120.9987 52.8591 39.3120 173.8275 58 P 4.2738 0.0000 0.0000 65.5367 31.3870 178.8238 59 K 3.7225 8.3301 117.6331 58.9558 31.7686 179.5445 60 V 3.7315 7.9598 118.1444 66.0053 31.5694 178.0634 61 K 3.9307 8.1378 117.9192 59.4419 31.7942 179.1923 62 A 4.0059 8.2891 121.3931 55.4576 18.2045 179.2340 63 H 4.3863 8.6053 116.9727 59.1920 29.9310 177.5510 64 G 3.6828 8.5333 108.1178 47.8115 0.0000 175.3999 65 K 3.9488 8.1627 122.0062 59.1890 32.1713 179.0881 66 K 4.0383 7.9197 118.5103 59.3544 32.0308 179.5714 67 V 3.5983 8.0377 118.8257 66.1181 31.5936 177.9215 68 L 4.3736 8.3966 120.0175 57.5404 41.8301 179.0056 69 G 3.7580 8.3631 106.0488 47.9196 0.0000 175.6084 70 A 4.1216 8.2411 123.4958 54.5766 18.1563 179.4754 71 F 4.1287 8.3278 118.5371 61.5074 39.8905 176.8452 72 S 4.1437 8.9074 113.0274 61.7429 62.3618 175.6654 73 D 4.4992 8.4532 121.6345 57.6559 40.5489 179.3767 74 G 3.5708 7.9017 105.1529 47.2711 0.0000 175.2728 75 L 3.8490 7.2094 119.2377 56.2526 41.6241 178.0792 76 A 4.2322 7.4195 119.4270 52.6977 19.3295 176.7298 77 H 4.9306 8.1178 115.5560 54.9332 29.9321 175.6267 78 L 3.9429 7.9476 120.1158 57.5511 41.8745 178.6849 79 D 4.5545 7.9260 116.7431 56.0106 41.7223 175.8522 80 N 5.1045 8.2312 117.6172 51.6095 39.8048 176.2636 81 L 4.0926 7.9577 120.4954 57.6685 41.9006 179.2085 82 K 4.0686 8.0377 117.3464 59.6011 31.8874 179.1133 83 G 3.7132 7.9939 105.3250 48.1031 0.0000 175.6969 84 T 3.7357 7.7697 117.1919 65.6381 68.6774 175.8906 85 F 4.6654 7.9434 117.1122 57.1880 39.2004 177.5355 86 A 4.0846 7.6201 122.4598 55.6085 18.1671 180.4999 87 T 3.8387 7.8225 113.6725 66.9081 68.6738 176.9012 88 L 4.1781 7.9647 120.2816 57.4176 41.6780 179.3792 89 S 4.4120 8.4789 115.1814 61.0925 62.3765 175.9984 90 E 3.9116 8.3264 121.2629 59.2240 29.1825 179.1738 91 L 3.9152 7.9587 120.3095 58.6677 42.1675 178.9061 92 H 4.2131 8.4668 116.0594 58.8627 28.6701 177.1670 93 C 3.5858 7.8140 120.8337 62.2835 31.1334 175.3508 94 D 4.3629 8.2940 120.6453 56.3646 40.5997 178.1249 95 K 4.2359 7.7063 116.7904 57.9457 33.4280 178.0133 96 L 4.2143 7.7781 116.6934 54.2669 42.8109 176.2084 97 H 4.1319 7.2606 114.3521 56.6899 26.6096 175.4395 98 V 3.8814 7.9183 118.1711 60.7456 32.5929 174.7505 99 D 4.3261 8.7726 127.2549 54.0112 41.5403 175.2314 100 P 3.1500 0.0000 0.0000 64.1778 31.8315 177.7630 101 E 3.8466 8.2436 119.4054 59.4842 29.1592 178.4431 102 N 4.2858 7.9080 116.3147 56.2385 38.4783 177.3129 103 F 4.4483 7.4997 119.2730 60.4836 38.9247 177.9907 104 R 3.9724 7.9152 117.3542 59.1988 30.0045 178.8718 105 L 3.8067 7.8577 118.7922 57.6816 41.5003 179.3768 106 L 4.1110 8.3404 120.6980 57.9984 42.0364 179.0868 107 G 3.7102 8.2742 105.7673 48.1169 0.0000 175.3734 108 N 4.5295 8.1767 118.7515 55.7260 38.5135 177.8650 109 V 3.6429 8.0254 119.9976 65.6981 31.5319 177.7191 110 L 3.8551 8.2496 120.5816 58.2003 41.8205 179.1252 111 V 3.5498 7.9088 118.0147 66.2812 31.3957 177.7293 112 C 4.0722 8.1517 116.4027 62.8147 27.8757 176.3605 113 V 3.5055 7.9678 119.9771 65.8117 31.0387 178.0689 114 L 3.8800 7.9198 118.7631 57.6212 41.3167 179.3226 115 A 3.7904 7.3374 120.6936 55.2940 18.0960 179.1560 116 H 4.0871 8.0328 115.6236 59.7104 30.0375 176.7261 117 H 3.9381 8.1599 119.0575 58.7975 29.7818 176.5390 118 F 4.5309 8.1163 117.2611 56.8450 39.9394 178.0138 119 G 3.8511 8.8972 108.1160 46.1721 0.0000 177.5057 120 K 4.0541 8.8615 122.2836 59.4338 32.5933 178.2712 121 E 4.0713 8.2978 118.1605 58.7005 29.9174 177.3363 122 F 4.5538 8.1365 123.7561 56.9685 37.8557 175.0609 123 T 4.2009 7.2676 115.8216 60.3644 71.4079 173.5373 124 P 4.1835 0.0000 0.0000 65.4295 31.3023 177.2709 125 P 4.2265 0.0000 0.0000 65.3151 31.2731 178.8979 126 V 3.5479 7.4998 116.9164 65.8371 31.3835 177.7545 127 Q 3.5383 7.8537 119.4894 59.0953 28.8865 178.2377 128 A 4.0166 8.1038 121.4566 55.0658 18.4130 179.4775 129 A 3.8842 7.9555 119.1306 55.6780 18.4461 179.5771 130 Y 3.9508 8.3346 115.1915 61.1415 37.9185 178.8006 131 Q 4.1425 8.7546 119.7145 58.8669 28.7213 178.8358 132 K 3.9830 8.0494 119.4538 59.3441 31.9998 179.5821 133 V 3.4729 7.6871 118.2814 66.2483 31.4695 178.6301 134 V 3.8468 8.3840 112.2909 64.2633 31.2471 178.5328 135 A 4.1076 8.3062 120.9674 55.0017 18.1696 179.9197 136 G 3.4849 8.2955 104.6113 47.9113 0.0000 176.1929 137 V 3.2805 8.1317 120.9630 65.4240 31.5360 177.9633 138 A 3.8837 8.1491 120.7369 55.1231 18.0140 179.0639 139 N 4.2356 8.1615 114.3653 56.8296 39.2533 176.6323 140 A 4.1586 8.1195 122.2243 55.2307 18.3088 179.6424 141 L 3.9363 8.0696 117.3313 57.2555 41.6029 179.0060 142 A 4.1782 8.0646 120.1009 54.1063 18.2969 178.8891 143 H 4.3107 7.9391 116.3588 58.6240 29.9629 175.8597 144 K 4.4384 8.0300 117.8488 56.2859 32.1075 176.4451 145 Y 4.1592 8.0232 117.6159 58.5339 38.4292 175.7095 146 H 4.4157 8.3708 116.9904 56.2990 28.1064 173.4674 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 V 8.05 3.93 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 0.87 0.00 0.00 0.91 0.00 0.00 2 H 7.92 3.68 0.00 3.34 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.55 4.52 0.00 1.58 1.49 0.80 0.88 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 4 T 8.75 4.12 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 1.24 0.00 0.00 5 P 0.00 4.19 0.00 2.15 2.14 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 6 E 7.70 4.00 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 7 E 8.09 3.91 0.00 2.19 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 2.29 2.28 0.00 8 K 7.97 3.75 0.00 1.71 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.39 7.81 9 S 7.95 4.06 0.00 3.92 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.04 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 11 V 7.91 3.42 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.46 0.00 0.00 12 T 7.98 4.02 4.28 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 1.24 0.00 0.00 13 A 8.06 4.01 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 14 L 8.08 3.93 0.00 1.90 1.99 0.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.73 4.38 0.00 3.83 3.22 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 16 G 8.03 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.74 4.48 0.00 1.82 2.05 0.00 1.66 0.00 0.00 1.43 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.39 7.81 18 V 6.81 3.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 19 N 8.37 4.44 0.00 2.71 2.59 0.00 0.00 6.78 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.08 3.50 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 1.32 0.00 0.00 0.97 0.00 0.00 21 D 8.09 4.36 0.00 2.88 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 22 E 8.35 3.88 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 23 V 8.16 3.60 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 1.01 0.00 0.00 0.73 0.00 0.00 24 G 8.39 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 0.00 0.00 0.00 25 G 8.01 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.16 3.84 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 27 A 8.19 3.91 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 28 L 8.12 3.95 0.00 1.74 1.62 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.22 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.89 0.00 1.80 1.91 0.00 3.08 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 31 L 8.05 3.97 0.00 1.86 1.87 1.03 0.58 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 L 7.77 4.03 0.00 1.85 1.67 0.69 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.28 3.55 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 0.70 0.00 0.00 0.94 0.00 0.00 34 V 7.75 3.52 1.50 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 -0.07 0.00 0.00 0.75 0.00 0.00 35 Y 7.29 3.75 0.00 2.50 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 36 P 0.00 4.86 0.00 2.30 2.27 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 37 W 8.17 4.36 0.00 3.54 3.46 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 38 T 7.65 4.17 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 1.16 0.00 0.00 39 Q 8.14 4.46 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.11 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 40 R 7.72 3.76 0.00 1.64 1.96 0.00 3.01 0.00 0.00 2.73 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 41 F 7.15 4.38 0.00 1.91 2.36 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 42 F 7.88 4.56 0.00 2.94 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.50 4.02 0.00 1.96 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 2.39 2.21 0.00 44 S 8.10 4.71 0.00 4.09 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 45 F 8.44 4.47 0.00 3.32 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.07 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.65 4.44 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.34 4.90 0.00 1.66 1.62 1.02 1.03 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 49 S 8.41 4.34 0.00 4.01 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 50 T 7.41 4.72 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 D 8.08 4.30 0.00 2.67 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 53 A 7.72 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 54 V 8.01 3.68 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 1.02 0.00 0.00 0.98 0.00 0.00 55 M 8.21 4.21 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.91 0.00 56 G 7.87 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 0.00 0.00 0.00 57 N 7.51 4.42 0.00 2.98 2.86 0.00 0.00 7.38 8.35 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 58 P 0.00 4.27 0.00 2.13 2.04 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 59 K 8.33 3.72 0.00 1.50 0.74 0.00 1.60 0.00 0.00 1.06 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 1.23 7.81 60 V 7.96 3.73 2.24 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 1.09 0.00 0.00 1.05 0.00 0.00 61 K 8.14 3.93 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 62 A 8.29 4.01 1.33 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 0.00 0.00 63 H 8.61 4.39 0.00 3.72 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.53 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 0.00 0.00 0.00 65 K 8.16 3.95 0.00 1.86 2.11 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.76 7.81 66 K 7.92 4.04 0.00 1.96 1.90 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.68 7.81 67 V 8.04 3.60 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 1.05 0.00 0.00 0.94 0.00 0.00 68 L 8.40 4.37 0.00 1.93 1.77 0.78 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.36 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 70 A 8.24 4.12 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 4.13 0.00 3.07 3.36 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 72 S 8.91 4.14 0.00 4.60 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 0.00 73 D 8.45 4.50 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 G 7.90 3.57 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 0.00 75 L 7.21 3.85 0.00 1.43 1.37 -0.56 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 0.00 0.00 0.00 0.00 76 A 7.42 4.23 1.14 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 0.00 0.00 0.00 77 H 8.12 4.93 0.00 3.17 3.12 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.95 3.94 0.00 1.54 1.64 0.75 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.93 4.55 0.00 2.64 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 80 N 8.23 5.10 0.00 2.62 2.65 0.00 0.00 6.82 6.68 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 81 L 7.96 4.09 0.00 1.71 1.82 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.04 4.07 0.00 1.66 1.79 0.00 1.63 0.00 0.00 1.27 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.45 7.81 83 G 7.99 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 0.00 0.00 0.00 84 T 7.77 3.74 3.99 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 0.62 0.00 0.00 85 F 7.94 4.67 0.00 3.24 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.62 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.84 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 1.22 0.00 0.00 88 L 7.96 4.18 0.00 1.88 1.86 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.48 4.41 0.00 4.05 4.15 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 0.00 0.00 0.00 0.00 90 E 8.33 3.91 0.00 2.18 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 2.32 2.48 0.00 91 L 7.96 3.92 0.00 1.79 1.91 0.91 1.15 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 92 H 8.47 4.21 0.00 3.64 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.81 3.59 0.00 1.23 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 94 D 8.29 4.36 0.00 2.71 2.68 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 95 K 7.71 4.24 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.46 7.81 96 L 7.78 4.21 0.00 1.69 1.63 0.70 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.26 4.13 0.00 3.52 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.92 3.88 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 0.08 0.00 0.00 0.49 0.00 0.00 99 D 8.77 4.33 0.00 2.81 2.60 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 0.00 100 P 0.00 3.15 0.00 1.94 1.89 0.00 3.36 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.54 0.00 101 E 8.24 3.85 0.00 2.02 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 2.30 2.38 0.00 102 N 7.91 4.29 0.00 2.41 2.70 0.00 0.00 7.20 7.42 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 0.00 103 F 7.50 4.45 0.00 3.08 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 0.00 104 R 7.92 3.97 0.00 1.99 1.97 0.00 3.09 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 105 L 7.86 3.81 0.00 1.73 1.38 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.34 4.11 0.00 1.88 1.86 0.93 1.37 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 0.00 107 G 8.27 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 0.00 0.00 0.00 108 N 8.18 4.53 0.00 2.83 2.95 0.00 0.00 6.71 7.78 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 0.00 109 V 8.03 3.64 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.16 0.00 0.00 110 L 8.25 3.86 0.00 1.74 1.77 0.90 0.37 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 0.00 111 V 7.91 3.55 2.32 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 1.38 0.00 0.00 1.19 0.00 0.00 112 C 8.15 4.07 0.00 3.18 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 0.00 113 V 7.97 3.51 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 0.99 0.00 0.00 0.93 0.00 0.00 114 L 7.92 3.88 0.00 0.97 1.04 0.65 1.09 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 0.00 115 A 7.34 3.79 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 0.00 116 H 8.03 4.09 0.00 3.15 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.16 3.94 0.00 2.84 2.79 0.00 5.99 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 0.00 118 F 8.12 4.53 0.00 3.19 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 0.00 119 G 8.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.86 4.05 0.00 1.90 2.00 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.57 7.81 121 E 8.30 4.07 0.00 2.11 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 0.00 2.37 2.38 0.00 122 F 8.14 4.55 0.00 3.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.27 4.20 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 1.30 0.00 0.00 124 P 0.00 4.18 0.00 2.15 2.13 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 125 P 0.00 4.23 0.00 2.12 2.07 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.50 3.55 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 0.98 0.00 0.00 0.90 0.00 0.00 127 Q 7.85 3.54 0.00 1.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 128 A 8.10 4.02 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 0.00 129 A 7.96 3.88 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 0.00 130 Y 8.33 3.95 0.00 3.27 3.31 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 0.00 131 Q 8.75 4.14 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.89 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 8.05 3.98 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 133 V 7.69 3.47 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 0.92 0.00 0.00 0.72 0.00 0.00 134 V 8.38 3.85 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 1.00 0.00 0.00 1.14 0.00 0.00 135 A 8.31 4.11 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 0.00 136 G 8.30 3.48 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 0.00 137 V 8.13 3.28 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 0.51 0.00 0.00 0.59 0.00 0.00 138 A 8.15 3.88 1.46 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 0.00 139 N 8.16 4.24 0.00 2.81 3.02 0.00 0.00 7.24 8.37 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 0.00 140 A 8.12 4.16 1.46 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 0.00 141 L 8.07 3.94 0.00 1.04 0.76 -0.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.06 4.18 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 0.00 143 H 7.94 4.31 0.00 3.33 3.54 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.03 4.44 0.00 1.86 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.75 7.81 145 Y 8.02 4.16 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.37 4.42 0.00 3.22 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00