NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.4560 8.0385 120.7655 53.8866 43.5905 178.2120 23 A 3.8814 8.1810 123.6557 56.1560 18.1886 178.8831 24 D 4.3528 9.1373 118.7118 57.3534 41.3632 177.5043 25 S 4.1762 8.5723 115.8808 61.5962 62.8537 176.8258 26 K 3.9266 8.1480 120.7766 59.5372 31.8145 179.2157 27 A 4.0305 7.8548 120.7786 55.1416 18.2480 180.0616 28 V 3.7101 8.3294 118.1078 64.6106 31.6697 178.4625 29 L 4.1935 8.4316 120.1282 58.0195 41.5367 179.1315 30 N 4.2932 8.2530 116.7722 56.3623 38.8165 176.5564 31 Q 4.2314 8.4676 121.0397 59.4070 29.0567 178.3506 32 A 4.2738 8.4779 121.7340 55.2162 18.5159 179.6124 33 V 3.6127 8.0540 116.4613 66.1767 31.6035 178.1251 34 A 4.1394 8.4214 120.2663 55.4447 18.3223 179.3883 35 D 4.3556 8.7805 117.7617 57.6292 40.8876 179.0350 36 L 4.2242 8.8386 120.3405 57.9080 41.5237 179.8565 37 S 3.8970 7.8368 115.0235 61.4939 62.5734 176.9164 38 V 3.6417 7.8502 120.8045 65.7211 31.1606 177.8788 39 A 4.0247 8.5280 121.1365 55.4403 18.2499 178.9664 40 H 3.9988 8.5125 116.8987 59.4411 29.8428 177.4321 41 S 4.1331 7.9000 114.4440 61.4544 62.2296 176.1653 42 I 3.6769 8.1047 122.8611 64.4754 36.8039 178.4114 43 L 3.9401 8.1801 120.0767 58.0434 41.4165 179.1488 44 H 3.6631 8.1349 118.2099 58.8078 29.6191 177.0180 45 Q 4.2787 8.1427 121.5414 59.3035 28.9213 178.3606 46 V 3.6088 7.8874 119.2086 66.4233 31.3121 177.0665 47 H 4.0423 8.0532 116.4380 59.4591 29.6433 176.7851 48 W 4.6942 8.1619 118.9433 59.6136 29.0143 177.4479 49 Y 4.2291 8.6827 114.8045 56.7383 37.7640 175.2201 50 M 4.3306 7.6409 120.4678 56.4190 32.7971 175.6659 51 R 4.6983 8.8775 123.2476 55.4579 34.6527 173.6953 52 G 4.2078 9.0747 106.4992 43.0921 0.0000 173.4591 53 R 4.2049 8.4148 119.4342 57.5737 30.4461 177.2188 54 G 4.2747 9.6095 110.0057 45.5455 0.0000 175.0709 55 F 4.1005 8.8200 122.5244 62.0470 39.0591 176.9413 56 M 4.2498 8.3416 115.0530 57.9220 32.0030 177.0128 57 I 3.8341 7.5694 118.0348 62.8256 38.7245 177.1865 58 W 4.1340 8.0649 119.3918 59.0771 28.5471 178.0050 59 H 3.8622 8.2579 119.2949 58.7125 29.1251 175.5812 60 P 3.8699 0.0000 0.0000 65.4183 31.0659 178.0429 61 K 3.4786 7.3519 119.3228 59.6157 31.9580 178.3553 62 M 3.9569 7.8836 118.7517 58.5968 31.7589 178.4164 63 D 4.1417 7.2886 118.4265 57.3420 40.9782 178.7431 64 E 3.8809 7.7144 118.5753 59.7154 29.4209 179.0965 65 Y 4.4696 7.8980 116.7309 61.3838 37.8614 178.5882 66 M 4.0301 8.5407 120.1241 58.3015 32.0460 178.1923 67 E 3.8490 8.3213 119.6926 59.4294 29.7155 178.6443 68 E 3.6774 8.2070 119.1434 59.1994 29.6164 178.7902 69 I 3.8178 7.9207 120.0060 64.5379 37.1328 178.1949 70 D 4.4313 8.4560 120.0687 56.9983 40.5639 179.0313 71 G 3.4498 7.8087 106.4218 48.0366 0.0000 175.3787 72 Y 4.3386 7.3627 119.5947 60.5671 37.8345 178.2534 73 L 4.0135 8.2938 121.6260 58.4611 42.1648 178.6936 74 D 4.4068 8.2205 119.1362 56.8569 41.0419 177.6133 75 E 3.9136 8.2356 119.3172 59.7831 29.4770 179.0879 76 M 3.8675 8.6150 119.0127 58.3152 32.1713 178.9469 77 S 4.1269 8.2113 114.4581 61.8341 63.0658 176.5200 78 E 4.1697 8.2872 121.5365 58.0336 29.2270 179.2029 79 R 3.8606 8.1542 119.7240 58.9672 30.0464 177.9685 80 L 3.9061 7.9621 120.2000 58.2935 42.1231 178.8701 81 I 3.8184 7.5876 119.4663 65.0215 36.8745 178.5728 82 T 3.9160 7.7384 114.8568 66.3592 68.3397 175.8558 83 L 4.3387 7.7233 118.2183 54.9733 41.8668 177.6947 84 G 3.8445 8.0709 107.7948 45.2888 0.0000 174.0173 85 G 3.7877 7.8434 109.1378 44.0702 0.0000 173.7375 86 A 4.4596 7.9698 121.1928 49.0965 19.9092 174.0241 87 P 4.4545 0.0000 0.0000 63.0100 32.1323 176.8775 88 F 4.5362 8.5149 120.4907 58.9149 39.2806 176.2379 89 S 4.8956 8.8181 118.5083 57.0805 63.7833 174.3670 90 T 4.4488 6.8360 109.6965 59.7509 72.7865 173.6776 91 L 3.9007 8.2179 122.5659 57.7428 41.6535 179.6664 92 K 3.8025 7.8066 118.9774 59.6489 32.1835 178.3326 93 E 3.6532 7.6572 118.1897 59.3160 29.3221 179.4501 94 F 4.4296 7.6076 117.5225 60.7816 38.8132 177.8022 95 S 4.1515 8.1979 113.4964 61.9369 62.8008 176.5823 96 E 4.0499 8.1268 119.6110 58.8215 29.2217 178.3329 97 N 4.5878 7.7192 114.6877 53.0159 39.6774 175.7146 98 S 4.4171 7.5394 115.3823 58.3927 62.8709 174.0851 99 Q 4.1536 8.6875 125.4760 57.0030 28.9024 176.2293 100 L 4.1403 7.5903 121.1811 53.9409 42.7798 176.7219 101 K 4.5991 8.2573 123.2888 52.7256 34.3103 174.4543 102 E 4.7873 8.4694 121.7152 54.1203 31.9526 175.4840 103 V 4.5494 7.6994 112.8117 59.1012 35.8047 175.6155 104 L 4.0677 8.2512 121.1526 54.4241 42.0383 177.9015 105 G 2.5726 7.9614 110.9270 45.4882 0.0000 173.0525 106 D 4.3367 7.1465 120.3512 53.2758 43.2585 175.6221 107 Y 4.7648 8.7603 124.0884 59.5117 38.1660 176.3783 108 N 4.6833 8.4704 116.4411 53.8366 39.2287 175.8313 109 V 3.8243 7.2171 118.3984 62.8908 32.2036 176.3788 110 T 4.3293 8.9788 117.9241 60.9125 70.9972 175.8908 111 I 3.6264 8.2863 122.5109 64.7198 37.0832 177.8281 112 E 3.7935 8.2119 119.2662 59.6996 29.4442 178.7635 113 E 3.9126 8.0364 117.9288 59.3135 29.6054 179.3865 114 Q 3.9300 8.3523 118.4738 59.0497 28.7640 178.9195 115 L 3.7247 8.1081 120.1086 57.5565 41.5578 179.3802 116 A 3.8637 8.0589 120.9060 55.0960 18.1596 179.7130 117 R 3.7674 7.6990 116.9548 59.3222 30.1440 178.9469 118 V 3.1819 7.4386 117.7397 65.7084 31.4998 177.8538 119 V 3.4388 7.5727 118.1246 66.3683 31.2895 177.8988 120 E 4.0423 8.1658 117.9293 59.2349 29.1717 179.4698 121 V 3.6513 7.9347 118.5192 66.2142 31.5480 178.2036 122 F 4.4619 8.6881 117.8655 60.5598 38.6734 177.9215 123 R 3.9255 8.6623 118.2431 59.2992 29.8003 178.2278 124 Y 3.9423 8.0899 119.2152 60.8094 38.6881 178.2728 125 L 3.4133 8.1945 119.5563 57.5561 41.6567 179.3479 126 A 3.7758 8.0740 120.7179 55.0667 18.2211 179.5302 127 A 3.7761 7.8221 119.1940 55.1088 18.4340 179.6024 128 L 3.6134 7.4401 119.0013 58.2657 42.1083 179.2936 129 F 4.5865 8.0263 118.0671 60.4164 38.7509 177.4665 130 Q 4.0039 8.3911 121.9009 59.6626 28.8340 179.0040 131 K 3.9806 8.1503 124.9566 59.9007 31.7613 181.0595 132 G 2.5603 8.1338 107.5422 46.7935 0.0000 175.5449 133 F 3.9793 8.2277 123.2377 61.1998 39.3616 176.9333 134 D 4.4105 8.5828 118.7809 57.4160 40.7116 178.8944 135 V 3.5500 7.8055 118.8869 66.1530 31.6671 178.2558 136 S 4.4065 7.8544 115.1642 60.7005 62.7460 175.7086 137 D 4.1015 8.0397 121.8697 57.2373 40.7144 177.9516 138 E 3.9244 8.0785 117.7382 59.7351 29.6675 179.0526 139 E 4.2337 8.1172 115.7741 56.7200 29.6886 177.5936 140 G 3.7804 7.5500 106.5067 46.7541 0.0000 174.7797 141 D 4.6131 7.9635 121.8577 52.5169 39.2971 176.2502 142 S 4.0683 8.0382 119.9936 60.6605 63.4423 176.6566 143 V 3.4998 7.6267 121.3988 66.2138 31.4180 178.0059 144 T 3.7415 7.9530 115.0508 66.4291 68.2311 175.9128 145 N 4.5474 8.1397 120.3922 56.2685 38.7714 176.4012 146 D 4.3785 8.0490 119.0804 57.1204 41.3443 178.0758 147 I 3.5135 7.5596 120.4107 64.5113 37.0078 178.4231 148 F 3.8854 7.8992 118.4092 60.2689 38.6879 177.3291 149 N 4.3742 8.4794 116.8502 56.7361 38.7109 177.1161 150 V 3.5553 8.0640 119.6900 65.9522 31.6208 177.8639 151 A 3.4760 7.4998 121.6953 54.1786 17.8773 179.5181 152 K 4.0839 8.3131 118.2974 59.5204 32.3531 178.7223 153 A 3.9672 8.1014 121.1408 55.4070 18.2387 179.6482 154 S 4.0569 7.8739 111.5472 61.3885 62.4473 176.1405 155 I 3.4674 7.7793 122.5821 64.6239 36.8636 178.2402 156 E 4.0133 8.4648 119.3919 59.2410 29.2627 179.3313 157 K 4.2880 8.1260 119.6143 59.9837 32.1916 178.6517 158 H 4.4447 8.4203 116.6828 58.8144 28.4783 177.8320 159 I 3.8238 8.1593 122.0000 64.0022 36.9432 177.9912 160 W 4.4129 8.3555 129.2033 61.0516 30.4599 177.9399 161 M 3.3212 7.5646 117.7938 58.0073 31.3609 178.7488 162 L 3.9857 8.2160 119.2978 58.0224 41.7565 179.6282 163 Q 3.9859 8.4391 117.9669 58.8491 28.6079 178.6769 164 A 4.0357 8.6013 122.0900 55.2697 18.2032 179.1507 165 E 3.9733 8.1967 116.7089 59.4493 29.7966 178.3315 166 L 4.3077 7.7601 115.6025 54.5103 41.7203 177.2536 167 G 3.9193 8.1393 107.0663 46.3982 0.0000 173.5342 168 Q 4.6224 8.1958 116.6208 53.0220 32.6273 175.2946 169 A 4.3196 8.3750 122.0825 51.6381 19.0614 176.3102 170 P 4.3732 0.0000 0.0000 64.0535 31.9852 177.2814 171 K 3.8198 8.1244 115.6629 57.1272 29.6085 174.6802 172 L 4.1789 7.8064 121.1468 55.2527 41.4826 177.8289 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 22 L 8.04 4.46 0.00 1.59 1.70 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.18 3.88 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 24 D 9.14 4.35 0.00 2.72 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 25 S 8.57 4.18 0.00 3.88 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 26 K 8.15 3.93 0.00 2.05 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 27 A 7.85 4.03 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 28 V 8.33 3.71 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 0.82 0.00 0.00 0.82 0.00 0.00 29 L 8.43 4.19 0.00 1.96 1.80 0.96 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.25 4.29 0.00 2.81 2.56 0.00 0.00 6.88 7.09 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 31 Q 8.47 4.23 0.00 2.36 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.81 0.00 32 A 8.48 4.27 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 0.00 0.00 33 V 8.05 3.61 2.56 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 1.26 0.00 0.00 1.00 0.00 0.00 34 A 8.42 4.14 1.64 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 0.00 0.00 35 D 8.78 4.36 0.00 2.93 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 36 L 8.84 4.22 0.00 1.77 1.81 1.18 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.84 3.90 0.00 3.37 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 38 V 7.85 3.64 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 1.11 0.00 0.00 1.01 0.00 0.00 39 A 8.53 4.02 1.48 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 40 H 8.51 4.00 0.00 3.32 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.90 4.13 0.00 3.99 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.10 3.68 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.40 0.86 0.00 0.00 43 L 8.18 3.94 0.00 1.75 1.67 1.11 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.13 3.66 0.00 3.03 2.76 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.14 4.28 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 46 V 7.89 3.61 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 0.94 0.00 0.00 1.00 0.00 0.00 47 H 8.05 4.04 0.00 3.04 3.36 0.00 6.00 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 48 W 8.16 4.69 0.00 3.70 2.86 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 49 Y 8.68 4.23 0.00 3.06 2.77 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 50 M 7.64 4.33 0.00 2.34 2.38 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 2.78 2.90 0.00 51 R 8.88 4.70 0.00 1.91 1.81 0.00 3.34 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.04 0.00 52 G 9.07 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 0.00 0.00 0.00 0.00 53 R 8.41 4.20 0.00 1.87 1.97 0.00 3.39 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 54 G 9.61 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 0.00 0.00 0.00 0.00 55 F 8.82 4.10 0.00 3.40 3.15 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 56 M 8.34 4.25 0.00 2.10 2.24 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 2.60 2.71 0.00 57 I 7.57 3.83 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.57 0.00 0.00 58 W 8.06 4.13 0.00 3.53 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 59 H 8.26 3.86 0.00 1.76 2.58 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 3.87 0.00 2.16 2.21 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 61 K 7.35 3.48 0.00 1.52 1.82 0.00 1.06 0.00 0.00 1.08 0.00 0.00 2.60 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.89 0.55 7.81 62 M 7.88 3.96 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.01 0.00 63 D 7.29 4.14 0.00 2.71 2.58 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 64 E 7.71 3.88 0.00 1.92 1.93 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 2.24 2.20 0.00 65 Y 7.90 4.47 0.00 3.22 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 66 M 8.54 4.03 0.00 1.80 2.12 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.32 0.00 67 E 8.32 3.85 0.00 2.05 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 2.25 2.28 0.00 68 E 8.21 3.68 0.00 2.05 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 1.83 1.94 0.00 69 I 7.92 3.82 2.06 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 1.69 0.58 1.01 0.00 0.00 70 D 8.46 4.43 0.00 2.85 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 71 G 7.81 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 7.36 4.34 0.00 3.22 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 73 L 8.29 4.01 0.00 1.75 1.86 0.93 1.28 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 74 D 8.22 4.41 0.00 2.89 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.24 3.91 0.00 2.33 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 2.30 2.53 0.00 76 M 8.62 3.87 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 1.94 0.00 77 S 8.21 4.13 0.00 4.08 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 0.00 78 E 8.29 4.17 0.00 2.12 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 2.32 2.30 0.00 79 R 8.15 3.86 0.00 1.82 1.96 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 80 L 7.96 3.91 0.00 1.85 1.86 0.92 0.81 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 81 I 7.59 3.82 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.90 0.00 0.00 82 T 7.74 3.92 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 83 L 7.72 4.34 0.00 1.78 1.69 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.07 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 85 G 7.84 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 86 A 7.97 4.46 1.19 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 87 P 0.00 4.45 0.00 2.26 2.07 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 88 F 8.51 4.54 0.00 3.43 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 89 S 8.82 4.90 0.00 4.03 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 90 T 6.84 4.45 4.08 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 1.13 0.00 0.00 91 L 8.22 3.90 0.00 1.68 1.80 0.99 1.04 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 92 K 7.81 3.80 0.00 1.76 1.71 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.64 7.81 93 E 7.66 3.65 0.00 1.93 1.59 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 2.26 2.26 0.00 94 F 7.61 4.43 0.00 3.21 2.96 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 95 S 8.20 4.15 0.00 3.80 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 96 E 8.13 4.05 0.00 1.92 1.93 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 2.30 2.38 0.00 97 N 7.72 4.59 0.00 2.33 2.75 0.00 0.00 6.97 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.54 4.42 0.00 4.01 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.69 4.15 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.50 2.69 0.00 100 L 7.59 4.14 0.00 1.50 1.44 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.26 4.60 0.00 1.74 1.55 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 0.99 7.81 102 E 8.47 4.79 0.00 1.91 1.86 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 2.20 2.28 0.00 103 V 7.70 4.55 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 0.70 0.00 0.00 0.86 0.00 0.00 104 L 8.25 4.07 0.00 1.56 1.53 0.91 0.87 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 0.00 105 G 7.96 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 0.00 0.00 0.00 106 D 7.15 4.34 0.00 2.59 2.37 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 0.00 107 Y 8.76 4.76 0.00 3.11 3.06 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 0.00 108 N 8.47 4.68 0.00 2.93 2.90 0.00 0.00 6.89 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 0.00 109 V 7.22 3.82 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 0.80 0.00 0.00 0.92 0.00 0.00 110 T 8.98 4.33 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 0.00 111 I 8.29 3.63 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.18 0.79 0.00 0.00 112 E 8.21 3.79 0.00 1.98 1.93 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 2.32 2.37 0.00 113 E 8.04 3.91 0.00 2.21 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 2.30 2.32 0.00 114 Q 8.35 3.93 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 115 L 8.11 3.72 0.00 1.47 1.29 -0.32 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.06 3.86 1.31 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 0.00 0.00 117 R 7.70 3.77 0.00 1.86 2.02 0.00 3.04 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 118 V 7.44 3.18 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 -0.16 0.00 0.00 0.81 0.00 0.00 119 V 7.57 3.44 2.17 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 0.90 0.00 0.00 0.91 0.00 0.00 120 E 8.17 4.04 0.00 2.11 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 2.47 2.43 0.00 121 V 7.93 3.65 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 1.24 0.00 0.00 0.96 0.00 0.00 122 F 8.69 4.46 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.66 3.93 0.00 1.97 2.00 0.00 3.39 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 124 Y 8.09 3.94 0.00 3.11 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 0.00 125 L 8.19 3.41 0.00 1.65 0.97 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.07 3.78 1.28 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 0.00 0.00 0.00 127 A 7.82 3.78 1.19 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 0.00 128 L 7.44 3.61 0.00 1.09 1.32 0.90 1.51 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 0.00 129 F 8.03 4.59 0.00 3.15 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 0.00 130 Q 8.39 4.00 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 131 K 8.15 3.98 0.00 1.80 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.34 7.81 132 G 8.13 2.56 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 0.00 133 F 8.23 3.98 0.00 3.23 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 0.00 134 D 8.58 4.41 0.00 2.85 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 0.00 135 V 7.81 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 1.06 0.00 0.00 0.89 0.00 0.00 136 S 7.85 4.41 0.00 4.29 4.16 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 0.00 137 D 8.04 4.10 0.00 2.55 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 0.00 138 E 8.08 3.92 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 139 E 8.12 4.23 0.00 1.93 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 2.32 2.43 0.00 140 G 7.55 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.96 4.61 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.04 4.07 0.00 4.04 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 0.00 143 V 7.63 3.50 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 1.01 0.00 0.00 0.90 0.00 0.00 144 T 7.95 3.74 4.42 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 1.34 0.00 0.00 145 N 8.14 4.55 0.00 2.65 2.90 0.00 0.00 6.46 8.03 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 0.00 146 D 8.05 4.38 0.00 2.77 2.77 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 0.00 147 I 7.56 3.51 1.58 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.50 0.00 0.00 148 F 7.90 3.89 0.00 3.37 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 0.00 149 N 8.48 4.37 0.00 3.36 2.93 0.00 0.00 6.84 7.30 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 0.00 150 V 8.06 3.56 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 0.98 0.00 0.00 0.99 0.00 0.00 151 A 7.50 3.48 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.31 4.08 0.00 2.11 2.00 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.51 7.81 153 A 8.10 3.97 1.40 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 0.00 154 S 7.87 4.06 0.00 3.94 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 0.00 155 I 7.78 3.47 1.86 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.71 0.71 0.00 0.00 156 E 8.46 4.01 0.00 2.08 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 2.34 2.47 0.00 157 K 8.13 4.29 0.00 1.98 2.02 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.98 7.81 158 H 8.42 4.44 0.00 3.35 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 I 8.16 3.82 2.16 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 1.57 1.07 1.00 0.00 0.00 160 W 8.36 4.41 0.00 3.42 3.47 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 0.00 161 M 7.56 3.32 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.18 0.00 162 L 8.22 3.99 0.00 1.77 1.62 0.86 1.03 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 0.00 163 Q 8.44 3.99 0.00 2.36 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 164 A 8.60 4.04 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 0.00 165 E 8.20 3.97 0.00 2.20 2.18 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 2.14 2.38 0.00 166 L 7.76 4.31 0.00 1.79 1.64 0.84 0.57 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 0.00 167 G 8.14 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 0.00 0.00 0.00 168 Q 8.20 4.62 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 169 A 8.37 4.32 1.28 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 0.00 0.00 0.00 170 P 0.00 4.37 0.00 2.13 2.30 0.00 3.89 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 2.10 2.42 0.00 171 K 8.12 3.82 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.61 7.81 172 L 7.81 4.18 0.00 1.63 1.59 0.93 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