NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4159 8.3044 120.3499 55.0276 33.4230 174.6721 2 E 4.0336 8.6817 127.8147 55.8107 30.8375 173.7766 3 L 5.2330 8.6939 125.8312 53.6093 45.5238 175.2525 4 T 4.8152 9.0522 115.5000 61.1607 71.0902 172.1703 5 T 5.2981 8.5268 109.2085 60.3109 72.1836 173.0793 6 R 4.7419 8.7665 121.4389 55.1549 34.3482 173.6024 7 T 4.9310 8.3437 120.2942 61.6470 70.5689 174.1441 8 L 4.3190 9.0965 128.3441 53.5537 42.6387 175.6458 9 P 4.5876 0.0000 0.0000 62.2374 32.1656 176.2755 10 A 4.0490 8.5091 121.8925 54.3983 18.3771 177.9599 11 R 4.2181 7.6761 116.9235 55.0900 29.7943 175.7134 12 K 4.4236 8.5183 125.2031 56.3039 34.2605 176.0716 13 H 5.2402 9.5550 120.9766 54.8070 30.3630 173.9482 14 I 5.0121 9.3592 125.4322 59.5084 39.5508 174.7101 15 A 5.1670 9.0533 129.3576 50.4227 21.1855 175.5494 16 L 5.0036 9.0953 122.9940 52.9097 44.5300 175.8892 17 V 4.7047 8.9274 123.8006 61.0403 35.0125 174.1126 18 A 5.3730 8.3732 126.9219 50.8872 22.3663 175.7923 19 H 4.7158 9.3887 119.3316 55.6379 30.2293 176.3374 20 D 4.4943 9.2614 121.0439 58.4493 40.5333 179.2678 21 H 4.4470 8.4329 113.0872 57.5483 29.1837 176.2137 22 C 4.7822 8.2787 118.1941 59.3111 28.5906 175.6401 23 K 4.1702 8.2152 124.6839 60.3140 31.6692 179.8250 24 Q 4.0855 8.1283 120.5038 60.4355 28.0601 179.9889 25 M 4.3580 8.0879 119.5111 58.4884 32.3260 178.0052 26 L 4.2451 8.1968 120.2060 58.2552 42.1794 178.6562 27 M 4.1159 8.5148 119.0758 58.7361 31.9122 178.8471 28 S 4.1720 8.3093 115.0310 61.4675 62.8187 176.6397 29 W 4.1635 8.2438 129.8089 60.4359 30.8722 177.9448 30 V 3.6616 8.5756 118.6047 66.1004 31.1805 177.8343 31 E 3.9385 8.4802 118.6892 59.4881 29.0969 179.4079 32 R 3.9045 8.0683 117.6132 58.5107 30.2666 176.6649 33 H 4.6057 7.3255 113.4798 54.9532 29.9474 174.9767 34 Q 3.8638 7.8321 122.6104 59.2224 28.4337 177.2459 35 P 4.1784 0.0000 0.0000 65.6645 31.6009 177.9388 36 L 4.1667 7.7081 118.2512 58.0629 42.2572 178.7255 37 L 4.1384 8.0555 118.8893 57.5946 41.2831 178.8902 38 E 4.0527 8.3269 118.5204 58.4588 29.6161 177.8240 39 Q 4.2953 7.9324 116.0438 56.7099 29.3258 174.1004 40 H 5.0351 8.0033 116.4005 53.8233 33.0950 172.6658 41 V 4.2212 8.5887 119.2250 61.8356 32.8390 174.5865 42 L 5.2799 8.3774 127.7009 53.5878 44.0795 175.1238 43 Y 5.2389 9.2890 119.7893 56.6731 42.4701 174.1619 44 A 5.2912 8.7473 121.4379 52.0399 23.5105 176.0021 45 T 4.0346 8.5547 109.8316 61.1699 70.4829 174.9947 46 G 3.8372 8.8614 106.1205 49.1007 0.0000 176.0812 47 T 3.8835 7.7306 116.1586 66.0563 68.9738 176.6958 48 T 4.0078 8.0887 117.2432 66.8935 68.5322 176.4421 49 G 3.7208 8.4313 107.6061 48.1121 0.0000 175.3973 50 N 4.4190 8.0903 118.3437 55.9134 38.6115 177.6051 51 L 4.0316 8.1111 120.4852 57.7819 41.7087 179.4640 52 I 3.7110 7.9116 119.9373 64.5305 37.0483 178.6160 53 S 4.4701 8.2128 118.7493 61.7484 62.5244 177.3598 54 R 3.9048 8.0712 122.9877 60.5219 29.1539 180.2014 55 A 4.6186 7.7528 118.6402 53.6000 19.6189 178.4220 56 T 4.4177 8.3072 106.1049 60.6736 70.0249 175.7701 57 G 3.8997 8.1671 109.4835 46.0643 0.0000 173.9147 58 M 4.2158 7.7712 119.7834 54.7312 32.6684 174.9842 59 N 4.7303 8.4705 120.0952 52.7535 39.5794 174.3791 60 V 4.4287 8.0760 125.2603 61.0892 34.5723 174.9509 61 N 4.6034 8.9207 125.9130 52.5558 38.5371 173.7053 62 A 4.7156 8.3685 125.7706 51.9320 19.4667 176.6313 63 M 4.7341 8.7447 122.7408 53.7820 35.6942 175.6412 64 L 4.2368 8.9407 119.3399 54.9566 43.2928 177.0445 65 S 4.4338 8.6703 115.4007 58.5832 63.4261 175.0508 66 G 3.7942 9.0889 112.3555 47.9341 0.0000 174.2785 67 P 4.2053 0.0000 0.0000 64.5726 31.3770 177.5723 68 M 4.4245 7.9022 114.8570 54.7195 32.6328 175.7175 69 G 3.7654 8.0832 108.1886 45.3842 0.0000 176.5232 70 G 3.6725 8.6703 108.4896 48.1020 0.0000 175.6025 71 D 4.2898 8.0093 120.4955 57.2054 40.8210 178.5994 72 Q 3.9982 7.9739 118.0061 58.4777 28.8391 178.3980 73 Q 3.9296 7.8714 119.4394 58.8608 28.6995 178.8377 74 V 3.5640 7.8903 119.3755 65.8936 31.5798 178.1556 75 G 3.5983 8.2790 105.5042 47.7907 0.0000 175.4370 76 A 3.9226 8.2891 123.4309 54.8842 18.3493 179.6922 77 L 3.7564 7.7776 117.4687 57.8528 41.6510 179.8285 78 I 3.5134 7.7659 120.0555 64.3807 36.8738 178.7242 79 S 2.7900 7.5858 113.3201 60.2697 62.8760 175.2851 80 E 4.0209 7.3955 120.1041 55.5405 29.4217 176.7651 81 G 3.6238 7.1556 107.0060 46.2208 0.0000 174.7171 82 K 4.1681 7.9816 117.7250 55.8286 32.7006 176.6557 83 I 4.3859 7.2057 119.5751 59.4947 39.8591 174.6820 84 D 4.8754 9.0454 124.1152 54.6731 42.8182 176.9288 85 V 4.7132 7.5893 117.6130 61.0797 35.5326 173.1962 86 L 5.0656 8.9787 128.9665 53.4124 44.9723 174.9799 87 I 4.5445 8.8560 128.1586 59.7855 39.0428 174.5481 88 F 5.3784 9.4051 131.5269 56.6799 41.2359 173.5985 89 F 5.4675 9.4409 127.5651 56.0763 37.9209 175.0580 90 W 4.4505 7.8320 119.2997 55.0422 29.9979 176.2343 91 D 4.3825 9.0747 121.8934 53.1576 40.2889 174.1051 92 P 4.5279 0.0000 0.0000 63.1527 31.6309 176.3198 93 L 4.7949 8.3759 118.0823 54.3143 42.5377 175.7890 94 N 4.8957 7.8740 114.4277 51.7216 42.5079 173.8513 95 A 4.3511 8.5387 125.5761 51.5571 19.6532 177.0703 96 V 4.4882 8.0505 116.2232 58.4934 34.0291 175.2915 97 P 4.3073 0.0000 0.0000 65.7738 31.5259 176.7641 98 H 4.8883 8.1134 114.5796 55.4347 30.0610 176.7290 99 D 4.2809 7.7861 123.6014 58.2083 41.0155 175.3387 100 P 4.2346 0.0000 0.0000 66.0140 31.1897 178.1184 101 D 4.3295 8.0682 118.1598 56.9594 40.7695 178.6409 102 V 3.7712 7.6185 118.4013 66.2214 31.6218 178.3300 103 K 3.8301 8.0908 117.8930 59.2383 31.8272 179.3100 104 A 3.9913 8.2504 121.4145 54.8980 18.3146 179.4432 105 L 3.9025 8.1113 118.9314 58.4414 42.2396 179.3214 106 L 4.1219 7.9980 118.9005 57.5750 41.4074 179.5368 107 R 3.8914 8.0232 118.9566 59.3569 29.9491 178.6111 108 L 4.0387 8.1100 118.6582 57.7821 41.3627 179.3536 109 A 4.0902 8.2373 120.6577 55.2142 18.3341 179.9710 110 T 3.8992 7.7130 114.1513 66.6455 68.4099 177.2013 111 V 3.3521 7.6266 119.3627 65.8011 31.4829 176.7544 112 W 4.4157 8.3011 116.3835 55.9859 29.1956 175.6794 113 N 4.1568 7.5770 116.1530 54.8271 37.1952 173.3226 114 I 4.6726 7.2008 109.4500 58.2198 40.9933 175.0709 115 P 4.4459 0.0000 0.0000 63.2464 32.2353 175.4147 116 V 5.1138 8.5123 123.1239 61.0235 34.7548 174.2100 117 A 4.9382 9.2422 129.0657 50.4472 21.5679 176.4576 118 T 5.3540 9.1153 110.7015 60.7286 70.1132 173.8851 119 N 4.2948 7.4992 119.3164 50.2925 41.5509 175.0898 120 V 3.4247 7.6337 119.8332 66.0769 31.5191 177.7645 121 A 4.1252 7.8886 119.8606 55.7859 18.2451 179.6673 122 T 3.8735 8.4946 114.1024 66.4614 68.4260 176.9883 123 A 4.0015 8.0251 122.8545 55.2899 18.4824 179.4162 124 D 4.5809 8.8634 117.8700 57.7836 40.7312 179.0965 125 F 4.0285 8.3692 117.1833 60.4119 39.1722 177.6890 126 I 4.0294 8.0641 119.5483 64.5477 36.8875 178.3509 127 I 2.8248 7.8435 117.4473 62.8985 37.8215 176.8270 128 Q 4.2576 7.5602 116.3113 55.2726 29.7318 175.9064 129 S 4.2554 7.4661 116.4253 57.4665 63.1875 172.6607 130 P 4.2054 0.0000 0.0000 66.4150 31.4444 177.6233 131 H 5.1616 8.0126 111.8745 55.4646 28.4447 177.0413 132 F 4.1552 8.2524 124.1829 60.5017 39.2533 175.6401 133 N 4.8597 7.7601 115.5365 53.0359 38.8610 173.8447 134 D 5.0300 7.6811 118.7366 52.3263 44.2186 175.1239 135 A 4.6556 8.3897 122.1628 51.6269 19.5173 177.4589 136 V 4.4730 8.5101 121.7581 59.8964 35.0045 174.5724 137 D 5.2564 8.7730 123.7927 53.8630 41.8947 175.7077 138 I 4.7447 8.6959 115.7703 58.9636 41.3925 174.2570 139 L 4.9755 8.5171 123.9052 54.3176 42.6022 176.1835 140 I 4.8984 8.8909 116.8632 57.9707 41.4700 172.9795 141 P 4.5081 0.0000 0.0000 63.1627 32.1391 176.7578 142 D 4.6777 9.4472 122.8437 53.2617 40.5842 176.3476 143 Y 4.2261 8.7302 129.9124 61.1658 39.0075 177.9196 144 Q 4.0663 8.5088 123.5291 61.2035 28.2168 181.4285 145 R 4.1229 8.1607 122.3590 61.1421 29.2608 179.8900 146 Y 4.1565 7.7807 119.3309 60.5533 39.2017 177.7473 147 L 3.6641 8.2762 121.3176 57.9097 41.7274 178.5793 148 A 3.9516 8.0497 120.8593 55.3799 17.6623 179.3605 149 D 4.0314 7.8027 116.8675 57.3342 40.6570 179.0737 150 R 3.9256 7.4217 117.6313 58.0100 30.1048 177.8617 151 L 4.5615 7.0027 118.4450 54.9657 42.0920 177.8155 152 K 4.2851 7.3670 128.8674 57.0464 31.8104 181.1941 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 8.30 4.42 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 E 8.68 4.03 0.00 2.24 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 2.39 2.48 0.00 3 L 8.69 5.23 0.00 1.53 1.53 0.91 0.77 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 4 T 9.05 4.82 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 1.32 0.00 0.00 5 T 8.53 5.30 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 1.23 0.00 0.00 6 R 8.77 4.74 0.00 1.91 1.79 0.00 3.01 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 7 T 8.34 4.93 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 1.24 0.00 0.00 8 L 9.10 4.32 0.00 1.52 1.55 0.91 0.81 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 9 P 0.00 4.59 0.00 2.27 2.06 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 10 A 8.51 4.05 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 11 R 7.68 4.22 0.00 1.74 1.82 0.00 3.20 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 12 K 8.52 4.42 0.00 1.52 1.56 0.00 1.47 0.00 0.00 1.77 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 0.50 7.81 13 H 9.56 5.24 0.00 3.19 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.36 5.01 2.03 0.00 0.00 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 1.33 0.73 1.07 0.00 0.00 15 A 9.05 5.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 9.10 5.00 0.00 1.54 1.55 1.01 0.71 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 17 V 8.93 4.70 1.71 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 0.80 0.00 0.00 0.67 0.00 0.00 18 A 8.37 5.37 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 9.39 4.72 0.00 3.25 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.26 4.49 0.00 2.80 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 21 H 8.43 4.45 0.00 3.28 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.28 4.78 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.22 4.17 0.00 2.05 1.92 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.72 7.81 24 Q 8.13 4.09 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 25 M 8.09 4.36 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 26 L 8.20 4.25 0.00 1.90 1.88 0.27 0.83 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 27 M 8.51 4.12 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.04 0.00 28 S 8.31 4.17 0.00 4.14 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 29 W 8.24 4.16 0.00 3.61 3.59 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 0.00 0.00 0.00 0.00 30 V 8.58 3.66 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 1.01 0.00 0.00 1.23 0.00 0.00 31 E 8.48 3.94 0.00 2.17 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 2.33 2.43 0.00 32 R 8.07 3.90 0.00 1.72 2.03 0.00 3.11 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.43 0.00 33 H 7.33 4.61 0.00 2.53 2.79 0.00 5.71 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.83 3.86 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 35 P 0.00 4.18 0.00 2.01 2.09 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 36 L 7.71 4.17 0.00 1.72 1.73 1.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.06 4.14 0.00 1.71 1.75 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.33 4.05 0.00 2.14 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 0.00 2.31 2.35 0.00 39 Q 7.93 4.30 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.42 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 40 H 8.00 5.04 0.00 3.10 3.52 0.00 5.64 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 41 V 8.59 4.22 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 0.92 0.00 0.00 0.90 0.00 0.00 42 L 8.38 5.28 0.00 1.61 1.59 0.96 0.93 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 43 Y 9.29 5.24 0.00 2.90 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 44 A 8.75 5.29 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 45 T 8.55 4.03 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 1.15 0.00 0.00 46 G 8.86 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 47 T 7.73 3.88 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 48 T 8.09 4.01 4.27 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 1.27 0.00 0.00 49 G 8.43 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 0.00 0.00 0.00 50 N 8.09 4.42 0.00 2.98 2.89 0.00 0.00 7.05 7.37 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 51 L 8.11 4.03 0.00 1.88 1.74 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.91 3.71 2.04 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 1.63 0.72 0.94 0.00 0.00 53 S 8.21 4.47 0.00 4.11 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.07 3.90 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 55 A 7.75 4.62 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.31 4.42 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 57 G 8.17 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 58 M 7.77 4.22 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 59 N 8.47 4.73 0.00 2.65 2.69 0.00 0.00 6.73 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.08 4.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 61 N 8.92 4.60 0.00 2.13 2.63 0.00 0.00 6.52 8.32 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 62 A 8.37 4.72 1.22 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 0.00 0.00 63 M 8.74 4.73 0.00 2.04 2.02 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 2.57 2.78 0.00 64 L 8.94 4.24 0.00 1.72 1.58 0.92 0.85 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 65 S 8.67 4.43 0.00 3.91 3.73 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 66 G 9.09 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 67 P 0.00 4.21 0.00 1.97 2.01 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 68 M 7.90 4.42 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 69 G 8.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.67 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.01 4.29 0.00 2.74 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 72 Q 7.97 4.00 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 73 Q 7.87 3.93 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 74 V 7.89 3.56 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 75 G 8.28 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.29 3.92 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 77 L 7.78 3.76 0.00 1.69 1.46 0.70 0.65 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 78 I 7.77 3.51 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.94 0.91 0.00 0.00 79 S 7.59 2.79 0.00 3.88 3.92 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 0.00 0.00 0.00 80 E 7.40 4.02 0.00 1.94 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 2.13 2.17 0.00 81 G 7.16 3.62 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 0.00 0.00 0.00 82 K 7.98 4.17 0.00 1.58 1.60 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.21 7.81 83 I 7.21 4.39 1.70 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.86 0.00 0.00 84 D 9.05 4.88 0.00 2.47 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 85 V 7.59 4.71 2.19 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 1.21 0.00 0.00 0.97 0.00 0.00 86 L 8.98 5.07 0.00 1.79 1.52 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.86 4.54 1.61 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 1.10 0.76 -0.02 0.00 0.00 88 F 9.41 5.38 0.00 3.00 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 89 F 9.44 5.47 0.00 2.94 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 90 W 7.83 4.45 0.00 2.98 1.74 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 91 D 9.07 4.38 0.00 2.77 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 92 P 0.00 4.53 0.00 1.89 1.11 0.00 3.48 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 93 L 8.38 4.79 0.00 1.63 1.61 0.86 0.91 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 94 N 7.87 4.90 0.00 2.76 2.60 0.00 0.00 7.04 7.35 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 95 A 8.54 4.35 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 96 V 8.05 4.49 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 0.85 0.00 0.00 0.85 0.00 0.00 97 P 0.00 4.31 0.00 2.21 2.22 0.00 3.82 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 2.08 2.00 0.00 98 H 8.11 4.89 0.00 3.55 3.54 0.00 5.47 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.79 4.28 0.00 2.84 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 0.00 100 P 0.00 4.23 0.00 2.30 2.28 0.00 3.63 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 2.08 2.06 0.00 101 D 8.07 4.33 0.00 3.03 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 0.00 102 V 7.62 3.77 2.15 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 0.66 0.00 0.00 1.08 0.00 0.00 103 K 8.09 3.83 0.00 1.81 1.76 0.00 1.29 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.34 1.33 7.81 104 A 8.25 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 L 8.11 3.90 0.00 1.84 1.94 0.85 0.00 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 0.00 106 L 8.00 4.12 0.00 1.68 1.68 0.40 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.02 3.89 0.00 2.02 2.07 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 108 L 8.11 4.04 0.00 2.04 1.83 1.01 0.86 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 0.00 109 A 8.24 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.71 3.90 4.39 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 1.19 0.00 0.00 111 V 7.63 3.35 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 -0.03 0.00 0.00 0.85 0.00 0.00 112 W 8.30 4.42 0.00 3.43 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.58 4.16 0.00 2.81 2.93 0.00 0.00 6.94 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 0.00 114 I 7.20 4.67 2.12 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 1.31 0.88 0.96 0.00 0.00 115 P 0.00 4.45 0.00 2.21 2.14 0.00 3.88 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 2.18 2.16 0.00 116 V 8.51 5.11 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 0.91 0.00 0.00 1.05 0.00 0.00 117 A 9.24 4.94 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 0.00 118 T 9.12 5.35 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 1.46 0.00 0.00 119 N 7.50 4.29 0.00 2.64 2.59 0.00 0.00 5.83 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 0.00 120 V 7.63 3.42 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 1.24 0.00 0.00 0.71 0.00 0.00 121 A 7.89 4.13 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 0.00 122 T 8.49 3.87 4.27 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 1.24 0.00 0.00 123 A 8.03 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.86 4.58 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.37 4.03 0.00 3.21 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 0.00 126 I 8.06 4.03 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.06 1.14 0.00 0.00 127 I 7.84 2.82 1.93 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.36 0.75 0.00 0.00 128 Q 7.56 4.26 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 129 S 7.47 4.26 0.00 4.22 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 0.00 130 P 0.00 4.21 0.00 1.96 2.02 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 2.07 2.10 0.00 131 H 8.01 5.16 0.00 3.26 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.25 4.16 0.00 3.28 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 0.00 133 N 7.76 4.86 0.00 2.75 2.88 0.00 0.00 6.89 7.94 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 0.00 134 D 7.68 5.03 0.00 2.70 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 0.00 135 A 8.39 4.66 1.22 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 0.00 0.00 136 V 8.51 4.47 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.94 0.00 0.00 137 D 8.77 5.26 0.00 2.59 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 0.00 138 I 8.70 4.74 1.91 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 1.38 0.83 0.94 0.00 0.00 139 L 8.52 4.98 0.00 1.56 1.65 0.93 0.80 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 0.00 140 I 8.89 4.90 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.98 1.15 0.00 0.00 141 P 0.00 4.51 0.00 1.77 1.79 0.00 3.46 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.08 0.00 142 D 9.45 4.68 0.00 2.74 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 0.00 143 Y 8.73 4.23 0.00 3.38 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 0.00 144 Q 8.51 4.07 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 8.16 4.12 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 146 Y 7.78 4.16 0.00 2.89 3.02 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 0.00 0.00 0.00 147 L 8.28 3.66 0.00 1.05 1.33 0.88 1.47 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 0.00 148 A 8.05 3.95 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 0.00 149 D 7.80 4.03 0.00 2.82 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 R 7.42 3.93 0.00 1.69 1.81 0.00 3.03 0.00 0.00 2.60 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.09 0.00 151 L 7.00 4.56 0.00 1.50 1.64 0.89 0.80 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 0.00 152 K 7.37 4.29 0.00 1.89 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.32 7.81