NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4728 8.1627 118.3195 55.2653 33.4462 173.6650 2 I 4.6086 8.0073 119.3964 57.5931 40.8655 169.2504 3 V 4.7887 9.5087 129.9733 60.1879 35.3190 173.7513 4 Y 5.1708 9.5150 119.9513 56.5343 41.7618 174.7152 5 G 4.4664 8.8953 106.7674 44.8171 0.0000 171.4010 6 L 5.4512 9.9742 122.8795 53.2388 45.0212 175.0508 7 Y 4.2975 9.0382 127.0180 55.5234 42.1883 174.3506 8 K 4.3506 7.5870 125.6335 55.0095 33.0602 176.0911 9 S 4.2671 8.2920 120.1356 55.2811 65.2182 173.7410 10 P 3.9831 0.0000 0.0000 64.9450 31.0007 177.5070 11 F 4.9103 7.2438 115.5410 57.4117 39.1153 175.0539 12 G 3.8567 7.9636 108.4544 43.2272 0.0000 171.6250 13 P 4.9450 0.0000 0.0000 62.9219 32.9152 175.6221 14 I 5.0068 9.0239 121.8746 60.1184 40.8852 174.3181 15 T 5.0177 8.8151 124.3932 62.3023 70.4122 174.5421 16 V 5.0904 8.4400 118.2025 59.8948 36.0502 174.4172 17 A 4.8657 8.5738 122.0026 51.0298 22.8334 175.6536 18 K 4.6973 8.7968 120.1486 55.8621 36.5065 174.2511 19 N 5.6640 8.6078 117.6717 49.8718 40.2152 174.6666 20 E 3.6023 8.8303 115.3469 59.1771 29.9149 178.4367 21 K 4.0535 8.7100 119.6448 57.2327 32.7603 177.0020 22 G 3.8338 6.9157 103.7971 45.6740 0.0000 171.3549 23 F 4.4449 8.1523 118.3416 57.9715 39.5689 176.6622 24 V 4.4630 9.0134 113.7017 61.0188 33.7869 175.2621 25 M 4.8261 7.8315 118.3810 54.8006 35.8291 173.4743 26 L 4.6777 8.7004 126.3796 54.7246 45.4553 173.1658 27 D 4.9713 9.1526 125.9163 52.6683 45.4890 174.5546 28 F 5.1539 8.9725 122.2279 54.5395 37.2085 173.1853 29 C 4.7590 7.7479 115.6770 55.3273 44.6759 174.7365 30 D 4.7810 8.8080 119.1191 52.3649 39.8305 173.6745 31 C 4.9306 9.2783 114.4562 54.2213 42.5494 175.0648 32 A 3.8416 7.8086 122.2889 51.9274 19.0811 177.5360 33 E 4.1376 6.3014 119.8656 54.8199 29.9442 177.9967 34 R 3.9126 8.5145 124.2176 59.0301 30.2523 177.8961 35 S 4.4689 7.8985 109.8009 59.5844 63.5347 174.7618 36 S 4.7406 8.3916 116.2165 58.8001 66.0556 172.7342 37 L 4.8605 8.1096 122.6914 54.8134 42.8695 176.2184 38 D 4.6278 9.5681 124.5996 52.7948 43.2315 175.5005 39 N 4.8309 9.1178 124.5002 55.8670 38.4933 176.4015 40 D 4.3551 8.1969 119.4332 56.7920 40.9006 177.2376 41 Y 4.0681 7.5518 115.2396 58.3150 38.2949 175.7184 42 F 4.8083 7.8874 118.5147 57.0375 40.5622 176.8612 43 T 3.9503 8.1964 119.5751 67.3573 68.0903 175.8267 44 D 4.5197 8.1269 119.8068 57.3044 40.9087 178.6098 45 F 4.3401 8.3233 120.7423 61.5088 39.6086 177.1058 46 F 4.2866 8.9239 117.8485 60.5979 38.6665 177.0748 47 Y 4.4055 8.2275 119.2289 60.7824 38.6543 178.1998 48 K 3.6257 7.8279 119.0227 59.3880 32.0177 179.2831 49 L 3.8005 7.4641 119.1080 57.6423 41.1178 179.3327 50 D 4.6523 7.6222 119.5066 56.8308 41.0784 178.5452 51 L 4.0014 7.4481 118.9335 57.7836 41.6275 178.6871 52 Y 4.1370 8.1956 119.8331 60.8958 38.5079 177.9417 53 F 4.3963 8.0485 115.1253 58.6104 39.0990 176.1885 54 E 4.5436 7.9980 117.8612 55.5573 29.7379 176.6575 55 G 3.9975 7.8353 107.2595 45.4432 0.0000 173.9496 56 K 4.0386 7.5602 118.6864 54.7054 33.0001 176.7639 57 K 2.0000 7.5103 124.6347 55.7197 32.4623 176.2421 58 V 4.1169 6.8845 123.1401 60.6227 33.6572 172.8700 59 D 4.6024 8.4248 122.0729 53.3354 40.5357 176.0592 60 L 4.3173 8.2763 126.6715 55.1933 42.2629 177.5008 61 T 4.1331 7.6487 109.4436 62.0377 69.1703 173.1573 62 E 4.7113 7.9779 120.9267 54.3407 33.8487 173.0787 63 P 4.5005 0.0000 0.0000 62.8685 32.3507 175.8956 64 V 4.6687 8.1637 123.1419 60.9424 34.5254 174.5067 65 D 4.5421 8.6276 127.3957 53.3644 41.1830 175.8784 66 F 5.0985 8.7510 124.4409 57.3775 39.6726 177.6212 67 K 3.8656 8.2701 123.5976 59.2274 31.8585 176.3218 68 P 4.1658 0.0000 0.0000 64.2324 31.3942 176.2081 69 F 5.0659 7.3767 116.5866 55.6777 41.0405 175.7623 70 N 4.7858 8.4797 121.1932 51.7960 39.8293 175.6561 71 E 3.8486 8.7375 120.4566 59.6194 29.4911 178.3079 72 F 4.2004 8.3191 119.6755 61.6757 39.4272 177.1259 73 R 3.0312 8.4340 117.6401 58.8910 29.6399 179.1421 74 I 3.3952 7.4583 119.5991 64.1183 37.0408 178.6592 75 R 3.7131 7.6809 118.7689 59.1312 29.9450 179.0852 76 V 3.3829 7.0740 117.7297 66.1394 31.5050 177.9075 77 F 4.4956 8.1699 117.5914 60.8493 38.5272 177.9427 78 K 4.0706 8.0001 117.0725 59.2190 32.0535 178.8165 79 E 4.0543 8.2423 119.8580 59.2733 29.6143 179.0738 80 V 3.6692 8.0217 118.2480 65.9633 31.3722 177.4616 81 M 4.2959 7.8893 116.8259 57.0386 31.8710 177.6346 82 R 4.5258 7.6141 117.1626 55.6409 30.7435 176.3031 83 I 4.1215 7.1688 120.6751 60.1401 37.1160 176.0970 84 K 4.1597 8.3154 125.6279 55.6596 32.6189 176.6138 85 W 4.2688 8.7018 130.4283 58.9964 30.9882 176.0484 86 G 3.3156 8.3956 112.5766 44.9313 0.0000 172.7057 87 E 4.5926 7.7745 118.8152 53.9447 31.9893 175.4470 88 V 4.6925 8.0103 117.5446 59.9566 35.1165 175.0610 89 R 4.9021 8.4984 120.0459 55.1181 34.9696 175.1985 90 T 5.1616 8.9846 113.2532 60.6837 70.5035 175.4064 91 Y 4.0680 8.4847 120.0206 61.0774 37.8571 178.9035 92 K 3.9677 8.1532 119.9632 59.7763 32.4082 178.6602 93 Q 4.0455 8.2071 118.2750 58.9301 28.6205 179.1480 94 V 3.5595 7.9585 119.0028 65.9329 31.6340 177.8655 95 A 4.0893 8.7755 120.9906 55.3807 18.1077 179.3077 96 D 4.3192 8.7564 117.4488 57.4683 40.6689 178.9300 97 A 4.0313 7.6714 119.7517 54.9651 18.5206 179.2267 98 V 3.9338 7.5591 107.4921 60.1907 32.9376 176.2943 99 K 3.8148 7.6897 117.0213 57.3609 29.5741 172.9908 100 T 4.5783 8.4291 111.6802 60.2026 71.3584 172.8243 101 S 4.7630 8.2921 115.7346 56.6736 66.0851 172.9527 102 P 4.3668 0.0000 0.0000 66.0026 31.1437 179.0433 103 R 3.8504 7.9886 116.7716 59.1306 30.0494 178.2964 104 A 4.0541 7.7798 121.0114 55.0366 18.3420 179.7662 105 V 3.7706 8.0390 116.7218 65.9651 31.6430 178.4083 106 G 3.5822 8.1840 105.7764 48.1741 0.0000 175.7898 107 T 3.9659 7.7449 111.1480 64.0873 69.0460 176.1706 108 A 4.1520 8.2285 123.5682 55.2117 18.5111 179.7625 109 L 4.3356 8.5662 117.8931 57.6706 41.4601 179.6764 110 S 4.3810 8.1351 113.2983 60.2335 62.8682 175.5384 111 K 4.6937 7.6427 120.9416 55.0148 32.3417 175.3066 112 N 4.1806 7.7116 119.5760 53.5423 39.0843 174.6132 113 N 4.5845 8.7471 122.5951 54.1922 40.3197 174.6839 114 V 4.5903 7.7227 120.3528 60.2219 30.8210 175.9453 115 L 4.2865 8.7214 120.2518 55.9135 41.6680 177.2071 116 L 4.7243 7.7238 116.1075 56.2519 47.7183 177.1385 117 I 3.9451 7.8063 117.4514 62.9471 36.9736 175.8222 118 I 4.2294 6.9749 122.0900 58.4524 37.4612 174.5636 119 P 4.7372 0.0000 0.0000 62.7468 29.1946 177.8970 120 C 4.2909 7.8827 114.8794 61.2641 30.3737 175.9363 121 H 4.2144 8.2560 115.1700 57.6676 28.6003 176.1545 122 R 3.9058 7.7527 118.7216 56.6502 30.2697 175.5428 123 V 4.5174 7.1036 119.3504 61.5241 32.1687 174.8918 124 I 4.7259 7.8086 121.9183 58.0467 41.1152 175.0149 125 G 4.3702 8.1641 110.1598 45.5503 0.0000 173.7428 126 E 4.4384 8.8949 118.1920 57.5406 29.9132 177.8133 127 K 4.6225 7.6578 115.5392 55.6610 33.6769 175.2254 128 S 4.5324 7.4361 113.2811 58.5791 65.0786 175.7394 129 L 3.9992 8.2514 118.9977 55.5075 41.7094 178.6008 130 G 4.3670 7.7371 101.9580 45.0896 0.0000 173.0740 131 G 4.0333 7.7279 108.1349 45.2669 0.0000 172.5469 132 Y 4.9629 8.1446 117.8081 56.0971 41.5331 175.1984 133 S 4.0360 8.3680 121.4250 60.9428 62.8687 175.2683 134 R 4.4509 7.3426 117.9446 55.4171 30.6932 176.2020 135 G 4.0987 8.3256 105.8358 46.0666 0.0000 176.0190 136 V 3.6743 8.3222 121.8843 64.2982 31.2586 178.4855 137 E 3.7757 8.0191 119.7054 59.0482 29.5595 178.1999 138 L 3.4207 7.6865 119.7939 57.8207 42.1225 178.3704 139 K 3.1013 7.5821 119.3159 59.4877 32.0038 178.5200 140 R 3.7645 8.0432 118.9648 59.3832 29.9593 178.6378 141 K 3.9318 7.9041 118.3708 59.2652 31.8123 179.3536 142 L 4.1126 7.9608 119.6777 57.8184 41.5452 179.6021 143 L 3.9433 7.9260 121.3747 58.3485 41.4917 179.9808 144 E 4.2105 8.1481 119.6160 60.5320 29.4048 180.8737 145 L 4.1881 7.8733 120.2471 57.5640 41.8329 177.9022 146 E 3.6458 7.5565 117.1440 55.4853 29.0994 177.7500 147 G 3.9550 7.8020 106.9402 45.5034 0.0000 173.9880 148 I 3.7929 7.4196 121.8271 60.6882 37.5737 174.9819 149 D 4.6557 8.3860 125.5762 52.7527 40.0058 176.1633 150 V 3.9694 7.7569 123.8602 62.6519 31.8749 175.0851 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.47 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 2 I 8.01 4.61 1.80 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.93 0.00 0.00 3 V 9.51 4.79 1.60 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 0.35 0.00 0.00 1.01 0.00 0.00 4 Y 9.51 5.17 0.00 2.85 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 G 8.90 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.97 5.45 0.00 1.62 1.59 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.04 4.30 0.00 1.93 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.59 4.35 0.00 1.28 1.50 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.23 7.81 9 S 8.29 4.27 0.00 2.72 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 10 P 0.00 3.98 0.00 1.18 1.80 0.00 2.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 11 F 7.24 4.91 0.00 3.25 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 12 G 7.96 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 0.00 0.00 0.00 13 P 0.00 4.94 0.00 2.15 2.19 0.00 3.71 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 2.14 2.03 0.00 14 I 9.02 5.01 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.83 0.88 0.00 0.00 15 T 8.82 5.02 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 1.41 0.00 0.00 16 V 8.44 5.09 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 0.91 0.00 0.00 0.31 0.00 0.00 17 A 8.57 4.87 0.40 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 0.00 0.00 0.00 18 K 8.80 4.70 0.00 1.35 1.00 0.00 0.61 0.00 0.00 0.79 0.00 0.00 2.51 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.98 0.92 7.81 19 N 8.61 5.66 0.00 2.74 2.86 0.00 0.00 6.65 7.28 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 20 E 8.83 3.60 0.00 2.03 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 0.00 2.21 2.23 0.00 21 K 8.71 4.05 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 22 G 6.92 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 23 F 8.15 4.44 0.00 2.81 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 24 V 9.01 4.46 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 0.56 0.00 0.00 0.81 0.00 0.00 25 M 7.83 4.83 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 26 L 8.70 4.68 0.00 1.66 1.51 0.97 0.87 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 27 D 9.15 4.97 0.00 2.72 2.46 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 28 F 8.97 5.15 0.00 3.06 3.11 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 29 C 7.75 4.76 0.00 2.96 3.11 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 30 D 8.81 4.78 0.00 2.64 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 31 C 9.28 4.93 0.00 3.09 3.13 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 0.00 0.00 0.00 32 A 7.81 3.84 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 33 E 6.30 4.14 0.00 1.50 1.69 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 2.12 1.75 0.00 34 R 8.51 3.91 0.00 1.77 1.99 0.00 3.19 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 35 S 7.90 4.47 0.00 3.98 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 36 S 8.39 4.74 0.00 3.99 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 37 L 8.11 4.86 0.00 1.83 1.63 1.11 1.22 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 38 D 9.57 4.63 0.00 2.89 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 39 N 9.12 4.83 0.00 3.01 3.23 0.00 0.00 7.04 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 40 D 8.20 4.36 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.55 4.07 0.00 2.29 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 0.00 0.00 0.00 0.00 42 F 7.89 4.81 0.00 2.02 2.41 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 43 T 8.20 3.95 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 44 D 8.13 4.52 0.00 2.86 2.85 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 45 F 8.32 4.34 0.00 3.31 3.42 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 46 F 8.92 4.29 0.00 3.33 3.24 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 47 Y 8.23 4.41 0.00 3.14 3.27 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 48 K 7.83 3.63 0.00 1.68 1.64 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.74 7.81 49 L 7.46 3.80 0.00 1.20 1.25 0.20 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.62 4.65 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.45 4.00 0.00 1.60 1.51 0.47 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.20 4.14 0.00 2.81 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 53 F 8.05 4.40 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 54 E 8.00 4.54 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 55 G 7.84 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 56 K 7.56 4.04 0.00 1.79 1.54 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.35 7.81 57 K 7.51 2.00 0.00 0.79 1.10 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.01 0.91 7.81 58 V 6.88 4.12 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 0.69 0.00 0.00 0.81 0.00 0.00 59 D 8.42 4.60 0.00 2.64 2.64 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 60 L 8.28 4.32 0.00 1.62 1.59 -0.10 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.65 4.13 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 1.37 0.00 0.00 62 E 7.98 4.71 0.00 1.53 1.87 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 2.27 1.49 0.00 63 P 0.00 4.50 0.00 2.11 2.00 0.00 3.66 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 2.15 2.13 0.00 64 V 8.16 4.67 1.11 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 0.34 0.00 0.00 0.84 0.00 0.00 65 D 8.63 4.54 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.75 5.10 0.00 3.28 3.23 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 67 K 8.27 3.87 0.00 1.73 1.93 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 68 P 0.00 4.17 0.00 0.91 1.74 0.00 3.30 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 69 F 7.38 5.07 0.00 3.23 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 70 N 8.48 4.79 0.00 3.06 3.03 0.00 0.00 5.62 7.66 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 71 E 8.74 3.85 0.00 2.08 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 0.00 2.40 2.39 0.00 72 F 8.32 4.20 0.00 3.08 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 73 R 8.43 3.03 0.00 1.55 0.77 0.00 3.23 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.85 0.00 74 I 7.46 3.40 1.87 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 1.60 0.83 0.40 0.00 0.00 75 R 7.68 3.71 0.00 1.87 1.85 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 76 V 7.07 3.38 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.12 0.00 0.00 77 F 8.17 4.50 0.00 2.96 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 78 K 8.00 4.07 0.00 1.82 1.81 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.21 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.13 7.81 79 E 8.24 4.05 0.00 2.06 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 0.00 2.29 2.34 0.00 80 V 8.02 3.67 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 0.97 0.00 0.00 1.01 0.00 0.00 81 M 7.89 4.30 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.61 0.00 82 R 7.61 4.53 0.00 2.03 1.97 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 83 I 7.17 4.12 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.93 0.00 0.00 84 K 8.32 4.16 0.00 1.87 1.87 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 85 W 8.70 4.27 0.00 3.39 3.11 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 86 G 8.40 3.32 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 0.00 87 E 7.77 4.59 0.00 1.92 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 2.16 2.21 0.00 88 V 8.01 4.69 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 0.66 0.00 0.00 0.86 0.00 0.00 89 R 8.50 4.90 0.00 1.58 1.68 0.00 3.24 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 90 T 8.98 5.16 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 1.23 0.00 0.00 91 Y 8.48 4.07 0.00 3.06 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 92 K 8.15 3.97 0.00 1.98 1.85 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.53 1.73 7.81 93 Q 8.21 4.05 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 94 V 7.96 3.56 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 1.02 0.00 0.00 0.93 0.00 0.00 95 A 8.78 4.09 1.54 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 96 D 8.76 4.32 0.00 2.88 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 97 A 7.67 4.03 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 98 V 7.56 3.93 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 0.74 0.00 0.00 1.10 0.00 0.00 99 K 7.69 3.81 0.00 1.87 1.87 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 100 T 8.43 4.58 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 1.45 0.00 0.00 101 S 8.29 4.76 0.00 4.09 3.95 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 0.00 102 P 0.00 4.37 0.00 2.21 2.26 0.00 3.62 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 2.15 2.21 0.00 103 R 7.99 3.85 0.00 1.84 1.90 0.00 3.15 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 104 A 7.78 4.05 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 0.00 105 V 8.04 3.77 2.46 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 1.20 0.00 0.00 1.11 0.00 0.00 106 G 8.18 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.74 3.97 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 1.26 0.00 0.00 108 A 8.23 4.15 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 0.00 109 L 8.57 4.34 0.00 1.86 1.90 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.14 4.38 0.00 4.08 4.17 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 0.00 111 K 7.64 4.69 0.00 2.11 2.07 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.68 7.81 112 N 7.71 4.18 0.00 2.42 2.70 0.00 0.00 7.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.75 4.58 0.00 2.89 2.92 0.00 0.00 6.57 7.68 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 0.00 114 V 7.72 4.59 1.90 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 0.82 0.00 0.00 0.91 0.00 0.00 115 L 8.72 4.29 0.00 1.75 1.92 1.02 0.64 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 0.00 116 L 7.72 4.72 0.00 1.55 1.48 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.81 3.95 1.63 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.06 0.66 0.00 0.00 118 I 6.97 4.23 1.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 0.71 0.00 0.00 119 P 0.00 4.74 0.00 2.08 2.22 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 120 C 7.88 4.29 0.00 3.27 3.30 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 0.00 121 H 8.26 4.21 0.00 2.90 3.06 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.75 3.91 0.00 1.85 2.00 0.00 2.99 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.05 0.00 123 V 7.10 4.52 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 0.25 0.00 0.00 0.84 0.00 0.00 124 I 7.81 4.73 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 2.05 0.84 0.00 0.00 125 G 8.16 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 0.00 0.00 0.00 0.00 126 E 8.89 4.44 0.00 2.00 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 2.31 2.35 0.00 127 K 7.66 4.62 0.00 1.81 1.82 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.41 7.81 128 S 7.44 4.53 0.00 3.98 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 0.00 129 L 8.25 4.00 0.00 1.73 1.73 0.87 0.84 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 0.00 130 G 7.74 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 0.00 0.00 0.00 0.00 131 G 7.73 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 0.00 0.00 0.00 132 Y 8.14 4.96 0.00 2.96 2.83 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 0.00 133 S 8.37 4.04 0.00 3.90 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 0.00 134 R 7.34 4.45 0.00 1.73 1.92 0.00 3.45 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 135 G 8.33 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.32 3.67 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 0.95 0.00 0.00 0.92 0.00 0.00 137 E 8.02 3.78 0.00 2.00 1.90 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 2.25 2.28 0.00 138 L 7.69 3.42 0.00 1.51 1.71 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.58 3.10 0.00 1.36 1.78 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 0.90 7.81 140 R 8.04 3.76 0.00 1.88 2.02 0.00 3.10 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 141 K 7.90 3.93 0.00 1.33 1.52 0.00 1.32 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.47 7.81 142 L 7.96 4.11 0.00 1.68 1.70 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.93 3.94 0.00 1.75 1.59 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.15 4.21 0.00 1.98 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 2.05 0.00 145 L 7.87 4.19 0.00 1.82 1.91 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.56 3.65 0.00 1.58 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 2.01 2.45 0.00 147 G 7.80 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 0.00 148 I 7.42 3.79 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.76 0.81 0.00 0.00 149 D 8.39 4.66 0.00 2.60 2.57 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 0.00 150 V 7.76 3.97 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 0.81 0.00 0.00 0.87 0.00 0.00