NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4200 8.3044 120.3288 54.7865 33.4855 174.2260 2 E 3.8563 8.3282 120.4438 55.1223 30.1901 174.6448 3 A 4.0654 9.3105 129.0686 52.8956 19.9064 177.3459 4 L 4.0243 8.5439 122.0049 56.7369 41.9944 178.7444 5 G 3.8834 9.5278 104.1016 44.7841 0.0000 172.3495 6 A 4.5359 7.2962 116.3197 50.9940 22.0268 176.3534 7 D 4.7271 8.8715 121.6462 53.3878 42.5014 175.7768 8 V 4.6036 8.4336 122.9776 61.3900 34.1059 174.9801 9 T 4.4403 7.7527 123.9951 61.6181 69.3345 174.3929 10 Q 3.8723 8.8458 126.2328 56.6266 28.7892 177.6496 11 G 3.8598 8.7980 111.3857 45.7649 0.0000 172.6181 12 L 4.7671 8.0472 120.2202 52.8921 44.8735 174.8677 13 E 5.0519 8.5597 118.8194 53.9564 33.5450 175.2342 14 K 4.1671 8.2511 121.9076 57.9815 32.3617 177.1235 15 G 4.0014 9.0583 115.4396 44.9732 0.0000 173.8026 16 S 4.3426 7.8433 116.0092 58.4820 64.2860 173.2451 17 L 5.1083 8.4225 123.2054 53.3111 42.9428 175.6488 18 I 4.6450 8.6961 117.3737 59.0231 41.7672 174.3711 19 T 4.4198 8.6770 119.0835 63.1272 69.8929 174.4244 20 C 4.8213 8.5681 126.9821 57.4542 31.0291 173.9426 21 A 4.5249 8.4015 133.7431 49.8739 15.8393 174.6051 22 D 4.8543 7.6316 119.6453 53.5470 42.3322 175.7394 23 N 4.9933 8.4068 115.0267 52.9097 37.6705 176.1714 24 T 3.9238 7.7600 111.0606 64.1470 69.3287 175.3111 25 G 3.8828 8.5079 109.8478 44.8726 0.0000 172.3049 26 A 4.7942 7.2805 122.1299 50.7828 20.3498 176.8443 27 R 4.2730 9.0040 122.9413 58.3527 31.7084 176.1815 28 E 5.1378 8.0621 119.3046 54.2593 32.3736 174.1510 29 L 5.2777 8.8530 126.1048 52.7522 45.5290 175.2124 30 K 4.9449 8.7425 123.5840 54.2983 34.8533 175.4992 31 V 3.8865 8.7894 128.7084 63.5445 32.0513 176.0342 32 I 4.3685 8.6719 127.3571 62.7547 39.7012 175.8687 33 S 4.6745 7.8040 114.9559 57.2805 68.0089 173.5318 34 V 4.5133 8.2434 121.4616 61.0616 33.4691 174.4622 35 H 4.1372 9.0156 128.7054 58.0362 29.9930 175.1168 36 G 3.8778 8.6636 113.3028 46.0906 0.0000 172.1096 37 Y 4.7033 7.7857 120.1229 55.4921 40.5410 175.3663 38 S 4.3709 7.1628 119.7662 56.7245 66.6396 173.3446 39 G 4.1309 7.9805 121.8130 45.1234 0.0000 173.8603 40 T 4.5438 8.2213 117.6729 59.6425 70.2997 172.4238 41 K 3.8207 8.4994 125.8859 58.5041 32.2453 176.8080 42 N 4.5391 8.9868 121.7709 53.4424 37.0882 174.3741 43 R 4.0735 7.9049 119.3662 55.5799 30.5555 175.6689 44 L 4.1916 8.4914 126.1941 53.3505 42.1362 174.6102 45 P 4.4655 0.0000 0.0000 63.5754 31.7465 175.4706 46 K 4.8900 8.1757 123.5195 55.5969 34.5835 175.8321 47 A 4.5583 8.9466 123.1851 50.7254 23.0776 176.0082 48 G 3.8498 9.2856 108.7992 44.2431 0.0000 171.5546 49 L 3.9982 8.1575 119.4925 56.5612 41.8616 178.1086 50 G 4.1018 8.8180 110.8030 45.6796 0.0000 172.9261 51 D 4.8526 7.7531 119.5952 53.0418 43.0799 175.6445 52 K 4.6474 8.6888 123.9397 55.3221 33.5289 175.0024 53 I 4.9388 8.3461 121.5737 59.3456 40.7627 174.7983 54 T 4.6740 8.7354 121.5292 63.1766 69.8439 174.1232 55 V 5.0585 9.3981 125.4631 61.1781 35.8463 173.9322 56 S 5.2147 8.8073 118.6138 56.4222 66.5362 173.3898 57 V 4.2993 8.2094 122.2504 62.7209 31.4953 176.5305 58 T 4.1524 8.6299 126.2099 65.5976 69.2719 175.8924 59 K 4.5464 8.9205 119.2009 54.0136 36.3606 177.6897 60 G 3.9255 8.4610 109.7551 45.2788 0.0000 172.3944 61 T 4.0368 8.0027 111.1160 60.9049 69.5064 173.2620 62 P 4.2199 0.0000 0.0000 66.2778 31.4185 178.4720 63 E 4.1100 8.0632 115.0290 59.7192 29.4907 178.8948 64 M 4.1976 7.5903 117.1124 57.1812 32.4646 177.6237 65 R 4.0647 7.7960 117.9838 57.5509 30.7444 177.6136 66 R 3.9337 8.4187 117.6516 56.8640 29.1568 176.6743 67 Q 4.3081 7.5378 117.8108 55.4303 30.4185 175.1953 68 V 4.5020 8.2727 122.6709 61.6064 32.6278 174.6316 69 L 4.9473 8.9762 127.4020 53.1365 46.6635 175.5658 70 E 4.9960 8.5325 118.7152 55.8984 32.0222 175.0827 71 A 4.9033 8.4619 122.1498 51.2821 23.7231 175.1305 72 V 4.5367 8.1073 118.5014 60.8465 34.8471 174.8211 73 V 3.9804 8.3808 128.1852 63.0992 31.4431 176.2596 74 V 3.9390 8.8219 129.1254 64.3814 33.1292 175.7831 75 R 4.2055 7.4195 117.2113 54.4201 34.9013 174.1974 76 Q 4.9106 7.9353 117.6387 55.2297 31.3839 175.8125 77 R 4.2815 9.2349 120.9774 58.5782 30.4422 177.6641 78 K 4.2036 7.8951 119.1005 55.4617 33.1745 175.3620 79 P 4.8602 0.0000 0.0000 63.0843 32.7032 175.0663 80 I 4.8862 8.5972 114.7035 59.1613 41.6306 174.0231 81 R 4.9552 9.0478 124.1181 54.7732 31.9533 175.8204 82 R 4.5696 8.7613 125.8022 54.7120 31.1808 175.7655 83 P 4.2497 0.0000 0.0000 65.9138 31.3690 176.9139 84 D 4.6299 8.1011 115.1727 53.0896 39.3555 177.3941 85 G 4.0348 8.5202 109.8806 46.1772 0.0000 174.7102 86 T 4.0609 7.7414 117.0496 63.7785 69.3905 174.0935 87 R 4.9428 8.4861 124.5565 55.5051 32.0390 176.0848 88 V 4.4508 8.8798 122.0237 61.0497 34.5392 174.3713 89 K 5.0679 8.5033 125.9407 55.2581 35.4833 175.3410 90 F 4.6537 8.7705 120.0439 55.6558 41.6736 176.6850 91 E 4.0237 9.0152 120.7756 58.8849 29.6374 175.2765 92 D 4.9001 7.7666 115.4165 52.1952 43.1991 173.8346 93 N 5.2405 8.6603 114.5209 51.7373 41.0225 174.1870 94 A 5.2015 8.8275 123.9123 50.6621 23.3761 174.6576 95 A 5.0321 9.2893 120.8600 50.2045 23.7142 175.2090 96 V 4.5497 8.3077 118.7855 60.6722 34.3994 175.2051 97 I 4.2203 8.2564 129.1621 61.9772 38.0328 175.3301 98 V 4.8840 8.5947 125.4180 61.4952 35.2822 174.7692 99 D 4.9806 8.0681 123.9272 51.7027 41.9303 176.2292 100 E 3.9170 8.9254 117.2803 60.1303 29.3509 177.8031 101 N 4.6514 8.4215 112.6964 52.8960 38.7127 175.3188 102 E 3.8529 8.1975 116.5807 57.0026 27.6680 173.7091 103 D 5.1011 8.2038 118.8158 51.4892 42.0399 174.3376 104 P 4.6070 0.0000 0.0000 63.1108 31.6589 176.5172 105 R 3.9310 8.5361 121.6736 58.9419 30.2967 176.8559 106 G 4.0366 7.6765 105.4260 44.8783 0.0000 172.1523 107 T 4.3998 8.5914 114.2602 64.0266 70.1809 174.9863 108 E 4.8235 8.0922 118.7825 54.3162 33.9788 174.9609 109 L 5.1237 8.2619 121.9100 52.1691 43.3166 176.6675 110 K 4.1067 8.6968 123.8079 56.9019 33.1313 177.9556 111 G 3.8991 8.7192 113.9598 43.8389 0.0000 170.9711 112 P 4.9149 0.0000 0.0000 62.7283 33.0188 175.2806 113 I 4.6800 8.1476 117.3134 59.9655 42.2222 174.4290 114 A 5.0106 8.1405 126.7728 51.2692 19.2437 179.1700 115 R 3.9818 9.0473 119.1179 59.2198 29.5825 179.0060 116 E 4.0129 8.2007 117.8460 58.9421 29.3676 178.9865 117 V 3.7429 8.0289 118.2652 65.2763 31.2456 177.9267 118 A 3.9921 7.7600 121.1125 55.4473 18.0821 179.4379 119 Q 3.9849 7.3131 114.9519 58.8731 28.7366 179.2978 120 R 4.0656 7.0146 117.8917 57.0104 31.3779 177.3871 121 F 4.7059 7.9365 123.9758 55.2222 39.2539 176.7274 122 G 3.6240 8.5980 112.6038 47.7867 0.0000 173.1537 123 S 4.4501 8.0856 118.0266 59.7281 62.6176 176.5452 124 V 3.6067 7.7372 121.0275 65.7929 31.8490 177.2298 125 A 4.2166 8.0587 120.7566 54.8587 18.5169 179.8179 126 S 4.5095 8.8903 113.1409 57.6934 62.6376 175.4556 127 A 4.5594 7.5975 119.1481 53.6467 23.3721 177.0929 128 A 4.2411 8.3291 120.4770 52.1040 19.2042 178.0921 129 T 4.1334 8.6271 119.7292 66.2591 68.7259 175.0806 130 M 4.8940 7.8107 119.5333 53.4915 36.2142 174.9157 131 I 4.7037 8.3248 122.1808 59.5894 40.3480 175.5133 132 V 3.9423 8.8981 127.2210 62.9090 31.5298 175.6816 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 2.11 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 E 8.33 3.86 0.00 1.93 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 2.24 2.33 0.00 3 A 9.31 4.07 1.24 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 0.00 0.00 4 L 8.54 4.02 0.00 1.66 1.75 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.53 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 0.00 0.00 0.00 6 A 7.30 4.54 1.20 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 0.00 0.00 7 D 8.87 4.73 0.00 2.63 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 8 V 8.43 4.60 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 0.86 0.00 0.00 0.96 0.00 0.00 9 T 7.75 4.44 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 1.22 0.00 0.00 10 Q 8.85 3.87 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 11 G 8.80 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 12 L 8.05 4.77 0.00 1.76 1.51 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.56 5.05 0.00 1.94 1.78 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 2.18 2.19 0.00 14 K 8.25 4.17 0.00 1.73 1.72 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.52 7.81 15 G 9.06 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 16 S 7.84 4.34 0.00 3.81 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 17 L 8.42 5.11 0.00 1.50 1.59 0.95 0.76 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 18 I 8.70 4.64 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.88 0.00 0.00 19 T 8.68 4.42 4.31 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 1.19 0.00 0.00 20 C 8.57 4.82 0.00 2.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.40 4.52 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 22 D 7.63 4.85 0.00 2.79 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 23 N 8.41 4.99 0.00 2.82 2.91 0.00 0.00 5.98 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 24 T 7.76 3.92 4.22 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 1.25 0.00 0.00 25 G 8.51 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 0.00 0.00 0.00 26 A 7.28 4.79 1.24 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 0.00 0.00 27 R 9.00 4.27 0.00 1.86 1.96 0.00 3.07 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 28 E 8.06 5.14 0.00 2.00 1.84 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 2.25 2.41 0.00 29 L 8.85 5.28 0.00 1.56 1.48 0.88 0.90 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 30 K 8.74 4.94 0.00 1.76 1.73 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.79 3.89 2.21 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 0.74 0.00 0.00 0.94 0.00 0.00 32 I 8.67 4.37 2.00 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 1.22 0.97 0.91 0.00 0.00 33 S 7.80 4.67 0.00 3.74 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 34 V 8.24 4.51 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 0.93 0.00 0.00 0.80 0.00 0.00 35 H 9.02 4.14 0.00 3.18 3.37 0.00 6.10 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 36 G 8.66 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 0.00 0.00 0.00 37 Y 7.79 4.70 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.16 4.37 0.00 3.80 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 39 G 7.98 4.13 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 0.00 0.00 0.00 40 T 8.22 4.54 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 1.23 0.00 0.00 41 K 8.50 3.82 0.00 1.75 1.75 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 N 8.99 4.54 0.00 2.95 3.02 0.00 0.00 7.05 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 43 R 7.90 4.07 0.00 1.80 2.07 0.00 3.36 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 44 L 8.49 4.19 0.00 1.86 1.62 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.47 0.00 2.14 2.45 0.00 3.71 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 46 K 8.18 4.89 0.00 1.71 1.75 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.13 1.17 7.81 47 A 8.95 4.56 1.10 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 48 G 9.29 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 49 L 8.16 4.00 0.00 1.68 1.66 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.82 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 51 D 7.75 4.85 0.00 2.74 2.59 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 52 K 8.69 4.65 0.00 1.92 1.72 0.00 1.60 0.00 0.00 1.90 0.00 0.00 2.65 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.39 7.81 53 I 8.35 4.94 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.87 0.00 0.00 54 T 8.74 4.67 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 1.21 0.00 0.00 55 V 9.40 5.06 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 1.13 0.00 0.00 0.95 0.00 0.00 56 S 8.81 5.21 0.00 3.88 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 57 V 8.21 4.30 2.21 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 0.92 0.00 0.00 nan 0.00 0.00 58 T 8.63 4.15 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 1.25 0.00 0.00 59 K 8.92 4.55 0.00 1.71 1.63 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.51 7.81 60 G 8.46 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 0.00 0.00 0.00 61 T 8.00 4.04 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 1.25 0.00 0.00 62 P 0.00 4.22 0.00 2.03 2.18 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 63 E 8.06 4.11 0.00 1.93 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 0.00 2.31 2.34 0.00 64 M 7.59 4.20 0.00 2.00 2.20 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 2.75 2.71 0.00 65 R 7.80 4.06 0.00 2.10 1.85 0.00 3.25 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 66 R 8.42 3.93 0.00 1.98 2.05 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 Q 7.54 4.31 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 68 V 8.27 4.50 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 8.98 4.95 0.00 1.53 1.46 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.53 5.00 0.00 2.03 1.79 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 2.33 2.29 0.00 71 A 8.46 4.90 1.13 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 0.00 0.00 72 V 8.11 4.54 1.68 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 0.52 0.00 0.00 -0.24 0.00 0.00 73 V 8.38 3.98 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 0.82 0.00 0.00 0.90 0.00 0.00 74 V 8.82 3.94 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 0.77 0.00 0.00 0.91 0.00 0.00 75 R 7.42 4.21 0.00 1.48 1.27 0.00 3.20 0.00 0.00 3.49 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 76 Q 7.94 4.91 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 77 R 9.23 4.28 0.00 1.84 2.07 0.00 3.14 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 78 K 7.90 4.20 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.86 0.00 2.12 1.97 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 80 I 8.60 4.89 2.05 0.00 0.00 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 1.42 1.29 0.99 0.00 0.00 81 R 9.05 4.96 0.00 1.84 1.83 0.00 3.09 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 82 R 8.76 4.57 0.00 1.93 1.83 0.00 3.22 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 83 P 0.00 4.25 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 84 D 8.10 4.63 0.00 2.78 2.75 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 85 G 8.52 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 86 T 7.74 4.06 4.33 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 1.19 0.00 0.00 87 R 8.49 4.94 0.00 1.68 1.84 0.00 3.32 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 88 V 8.88 4.45 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 0.77 0.00 0.00 0.90 0.00 0.00 89 K 8.50 5.07 0.00 1.94 1.72 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.37 7.81 90 F 8.77 4.65 0.00 3.30 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 91 E 9.02 4.02 0.00 1.97 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 2.26 0.00 92 D 7.77 4.90 0.00 2.66 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 93 N 8.66 5.24 0.00 2.62 2.71 0.00 0.00 6.48 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.83 5.20 1.13 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 0.00 0.00 95 A 9.29 5.03 1.13 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 0.00 0.00 96 V 8.31 4.55 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 0.97 0.00 0.00 0.91 0.00 0.00 97 I 8.26 4.22 1.83 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 1.07 0.42 0.91 0.00 0.00 98 V 8.59 4.88 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 0.71 0.00 0.00 0.82 0.00 0.00 99 D 8.07 4.98 0.00 2.92 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 0.00 100 E 8.93 3.92 0.00 1.98 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 2.32 2.35 0.00 101 N 8.42 4.65 0.00 2.88 2.85 0.00 0.00 7.17 7.20 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 0.00 102 E 8.20 3.85 0.00 2.28 2.30 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 2.29 2.33 0.00 103 D 8.20 5.10 0.00 2.86 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 0.00 104 P 0.00 4.61 0.00 2.15 2.04 0.00 3.77 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 1.99 2.06 0.00 105 R 8.54 3.93 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.68 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.59 4.40 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 1.21 0.00 0.00 108 E 8.09 4.82 0.00 1.86 1.78 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 2.28 2.30 0.00 109 L 8.26 5.12 0.00 1.50 1.57 0.94 1.04 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 0.00 110 K 8.70 4.11 0.00 1.63 1.73 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.44 7.81 111 G 8.72 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 0.00 112 P 0.00 4.91 0.00 2.26 2.19 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 113 I 8.15 4.68 2.01 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 1.12 0.63 0.92 0.00 0.00 114 A 8.14 5.01 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 0.00 115 R 9.05 3.98 0.00 2.04 2.37 0.00 2.80 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 116 E 8.20 4.01 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 117 V 8.03 3.74 2.22 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 1.28 0.00 0.00 1.00 0.00 0.00 118 A 7.76 3.99 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 0.00 119 Q 7.31 3.98 0.00 2.11 2.14 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 2.38 2.41 0.00 120 R 7.01 4.07 0.00 1.37 0.66 0.00 3.11 0.00 0.00 2.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.00 121 F 7.94 4.71 0.00 3.12 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 0.00 122 G 8.60 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 0.00 123 S 8.09 4.45 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 0.00 124 V 7.74 3.61 2.38 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 0.86 0.00 0.00 0.92 0.00 0.00 125 A 8.06 4.22 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 0.00 126 S 8.89 4.51 0.00 3.99 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 0.00 127 A 7.60 4.56 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 0.00 128 A 8.33 4.24 1.30 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 0.00 0.00 129 T 8.63 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 1.22 0.00 0.00 130 M 7.81 4.89 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 131 I 8.32 4.70 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.90 3.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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