NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4952 8.3049 118.1948 55.3297 31.2147 174.8275 2 N 4.5326 8.4436 125.2109 53.8287 38.6885 174.6579 3 L 4.3704 8.1145 117.2860 54.9911 44.0532 175.6503 4 K 4.6673 7.7899 121.6343 55.1871 33.1536 176.0013 5 V 3.9798 8.7177 129.2495 62.3187 31.0378 175.4520 6 K 4.2439 9.7389 129.0621 57.8817 32.9682 176.7482 7 G 4.0787 7.6524 105.1419 43.0112 0.0000 172.8018 8 A 3.7762 8.4116 119.6860 54.8825 18.1550 179.6992 9 R 2.8310 7.2511 116.8735 59.3471 30.0890 178.3271 10 D 4.3257 7.7019 118.8657 57.0009 40.7539 178.8649 11 V 3.5040 7.4030 118.4028 65.8843 31.4074 177.4574 12 F 4.1568 7.5388 118.9859 61.5786 39.2568 176.7158 13 E 3.7999 8.0169 117.6526 59.3084 29.0762 178.4454 14 Y 3.9611 7.7844 118.5374 61.0713 39.0733 177.9034 15 M 3.8559 8.0731 118.0921 55.5580 32.0564 176.5875 16 K 3.8398 6.6774 119.9255 57.5830 32.4254 177.5434 17 G 3.8215 8.6769 111.1178 45.9194 0.0000 173.8673 18 R 4.2047 7.7663 117.4683 55.7654 30.7735 176.3016 19 I 4.1521 7.3731 120.0282 59.8528 37.5336 173.8148 20 P 4.3243 0.0000 0.0000 65.0973 31.5631 176.4694 21 D 4.5778 7.8206 118.3112 52.7917 42.8104 175.2416 22 E 4.3118 8.8778 126.9403 58.4420 29.8886 179.0227 23 T 4.0648 8.4304 108.9954 63.1916 69.3390 174.9884 24 K 4.4715 7.5783 121.5295 54.9165 33.7543 175.8979 25 E 4.5611 8.3862 121.6078 56.6848 31.1353 175.4687 26 H 5.1367 8.5760 116.6669 53.9329 33.7617 171.9108 27 L 4.9032 8.3524 123.7109 53.2404 44.5957 175.1532 28 F 5.5407 9.4407 124.0590 55.5905 43.6150 174.1309 29 V 4.6577 8.5384 120.5662 59.9235 34.0747 174.4636 30 L 4.6174 8.7861 125.8429 53.4096 43.7635 175.4724 31 F 5.3219 9.0376 122.0715 55.9387 41.1026 174.6738 32 L 5.3179 9.0524 124.5499 52.8465 44.5930 177.0824 33 S 4.7618 8.7302 118.0165 57.4094 64.2219 175.1062 34 T 3.6413 8.3608 109.8301 63.7066 68.3126 174.9566 35 K 4.3719 7.8449 120.0420 55.9731 32.6297 175.7244 36 N 4.2865 8.3331 115.3335 54.1411 36.5232 173.3828 37 Q 4.4947 7.7095 119.6241 55.3569 29.7364 174.8784 38 I 4.1595 8.5018 126.9850 61.3538 36.6688 176.1862 39 L 4.2620 9.0838 128.7783 56.8336 41.9678 177.5961 40 R 4.7485 7.5846 112.4673 56.1088 32.4706 172.1231 41 H 5.2725 8.7607 113.3975 54.1259 31.9771 172.5001 42 E 4.8103 8.9879 118.1479 54.8726 33.9407 175.1864 43 T 4.1216 8.5411 119.5932 64.1177 68.6616 173.6970 44 I 3.7958 8.8840 131.0402 63.2467 36.6735 176.6286 45 T 4.2119 8.0267 119.3778 63.3711 70.8320 174.3858 46 I 4.4746 9.2923 126.4538 59.4862 39.2643 175.8427 47 G 3.8250 7.1670 114.7583 46.3404 0.0000 170.4326 48 T 4.4904 7.8611 116.4958 60.1722 68.8243 175.7038 49 L 4.2044 8.3512 130.3151 54.9559 41.1511 175.4006 50 T 4.5102 7.9709 115.3142 59.2997 70.7448 176.2504 51 A 4.0632 8.5852 126.9073 55.2236 18.6224 179.9445 52 S 4.2197 7.9575 109.4083 60.9875 63.3504 175.5109 53 L 4.0348 7.5840 119.7778 56.4587 41.6138 177.0286 54 I 3.8471 7.2195 120.6574 60.9073 37.3751 175.3298 55 H 4.8415 8.3868 122.8567 52.8256 29.7311 172.2091 56 P 4.3684 0.0000 0.0000 65.7915 30.8949 178.1600 57 R 3.9988 8.0889 116.1751 59.4104 30.3341 178.0525 58 E 4.1585 8.5022 118.2639 59.3716 29.8444 178.7372 59 I 3.6945 7.8301 119.3166 64.8704 37.1855 178.0983 60 F 4.4072 8.2395 117.0839 59.2352 38.7367 177.9846 61 K 3.9648 7.9525 119.5368 59.3452 31.9695 178.5593 62 A 3.8041 7.9648 120.3808 54.8958 18.2506 179.0961 63 A 3.1767 7.5326 118.8269 55.4179 18.5446 180.0474 64 I 3.6366 8.1328 118.5402 64.4339 36.8848 178.7473 65 R 3.9464 8.0312 119.2163 58.8270 29.9496 177.3583 66 E 4.1725 7.9267 116.3264 55.5438 30.4421 176.8885 67 S 3.5651 7.6014 112.9334 58.9609 62.5023 172.6389 68 A 4.1194 7.8759 124.8394 53.6311 19.2838 177.7218 69 H 4.6343 9.4502 123.5858 58.7992 31.2007 174.9535 70 S 5.0003 7.9740 110.8508 56.7944 67.2254 172.4473 71 I 5.2188 8.7246 112.2394 59.2525 41.2738 174.2916 72 I 5.0058 8.3388 123.5498 59.6016 40.8397 174.3688 73 L 4.9010 8.4357 126.4818 53.4679 43.7162 175.7101 74 V 5.0420 8.9538 123.4271 61.4616 34.7742 173.6625 75 H 5.6038 9.2582 125.0040 54.0426 31.0663 172.7892 76 N 5.4537 9.0206 120.5085 51.9770 39.9343 173.7300 77 H 5.2108 9.1065 119.3924 53.6680 30.2468 173.9157 78 P 4.6172 0.0000 0.0000 64.1650 31.1702 177.3105 79 S 4.2336 7.3489 115.1714 58.9458 62.6976 174.5353 80 G 4.0128 7.7101 110.9729 46.3182 0.0000 172.4633 81 D 4.4579 7.8820 121.4494 53.9483 41.2173 176.4371 82 V 4.0612 8.3011 119.3375 61.4854 31.8281 176.4761 83 Q 3.4284 7.2140 119.7108 54.8135 29.0272 174.2906 84 P 4.5288 0.0000 0.0000 62.1952 32.5089 176.8868 85 S 4.4883 8.4914 116.5474 57.7741 65.6520 174.8841 86 N 4.5015 8.5533 118.1564 55.5270 38.3129 177.6504 87 A 3.9818 7.9511 122.3079 55.2678 18.4579 178.8652 88 D 4.3973 7.9693 117.1978 57.8733 40.5062 179.5832 89 K 4.4261 8.3145 118.0601 58.8984 31.9718 179.5117 90 Q 4.0959 7.8315 118.8646 58.8812 28.9055 178.6811 91 V 3.7204 7.7844 113.1843 64.5596 31.4415 178.8499 92 T 3.8427 7.7752 115.7148 66.4252 68.2732 177.0319 93 S 4.1586 7.8272 116.5244 61.6831 62.9492 176.8541 94 I 3.8408 7.7936 115.8099 63.9094 37.3008 178.1159 95 L 4.2948 8.0617 120.6905 56.9007 41.5221 179.0925 96 K 3.9400 8.2744 120.2324 59.4108 32.2423 178.6979 97 K 4.1411 8.0054 117.3985 58.8481 32.8533 178.8379 98 A 3.9789 8.1450 122.9341 54.9472 18.2482 179.8060 99 G 3.5244 8.3557 105.9725 47.3004 0.0000 175.7512 100 D 4.3218 8.2051 121.2846 56.9793 40.6301 178.2371 101 L 3.8679 7.5628 119.4530 58.3392 42.1788 178.5080 102 L 4.1648 7.5897 115.0260 53.8861 42.0839 176.5810 103 Q 3.4756 7.6191 116.8873 57.4518 26.6488 174.6373 104 I 4.7975 7.4449 118.5456 57.6598 38.7747 174.2355 105 E 4.0246 8.3845 127.1214 55.9836 31.0685 175.2830 106 L 4.6091 8.6008 128.9281 54.8449 41.4402 175.9451 107 L 4.2034 8.7625 129.8180 57.9969 42.7383 176.1274 108 D 4.7043 7.7272 115.5318 53.6623 45.0745 173.1987 109 H 5.3420 8.8104 121.2951 54.2772 32.9099 172.0850 110 V 5.0820 9.2008 126.0331 61.3376 34.2495 174.0322 111 I 5.0062 9.2452 129.5360 60.4468 38.7708 175.3702 112 V 5.0811 9.2132 120.2956 60.3351 35.0666 175.9012 113 G 3.8868 8.9135 110.1084 45.4706 0.0000 171.6378 114 N 3.9257 8.1892 112.4374 56.7096 39.0797 174.4545 115 N 5.3145 7.9433 115.0535 52.9872 40.6562 173.5454 116 D 4.4574 7.9769 114.3631 52.4024 44.2083 173.5422 117 W 5.8309 7.4005 119.3813 55.1297 31.6166 173.5800 118 F 4.7406 9.5763 123.1353 56.5772 42.1402 173.2468 119 S 5.0872 8.2670 120.8991 57.0044 63.5628 174.2297 120 F 3.9953 9.7000 127.1695 60.9780 39.4886 177.9002 121 R 3.9507 8.9694 119.0265 59.5023 30.0339 178.3007 122 D 4.4512 7.8849 116.1804 56.9114 40.8992 176.4199 123 H 4.5975 7.7932 114.9500 55.5727 29.0346 174.5142 124 A 3.8244 7.5625 118.9548 53.6829 16.4559 178.2538 125 L 4.7422 8.2482 117.8372 55.7885 43.3038 175.8337 126 L 4.4346 8.0422 124.1366 55.6115 42.0738 175.8789 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 4.50 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 N 8.44 4.53 0.00 2.81 2.88 0.00 0.00 7.16 6.97 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 3 L 8.11 4.37 0.00 1.71 1.66 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.79 4.67 0.00 1.74 1.69 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 5 V 8.72 3.98 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 0.73 0.00 0.00 0.80 0.00 0.00 6 K 9.74 4.24 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.35 7.81 7 G 7.65 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 0.00 0.00 0.00 0.00 8 A 8.41 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.25 2.83 0.00 1.70 1.80 0.00 3.34 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 10 D 7.70 4.33 0.00 2.70 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 11 V 7.40 3.50 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 1.01 0.00 0.00 0.83 0.00 0.00 12 F 7.54 4.16 0.00 2.50 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 13 E 8.02 3.80 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 14 Y 7.78 3.96 0.00 2.90 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 15 M 8.07 3.86 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.77 0.00 16 K 6.68 3.84 0.00 1.60 1.55 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.04 7.81 17 G 8.68 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.77 4.20 0.00 1.48 1.62 0.00 2.33 0.00 0.00 2.65 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 19 I 7.37 4.15 1.89 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 1.34 0.80 1.05 0.00 0.00 20 P 0.00 4.32 0.00 2.07 2.15 0.00 3.48 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 21 D 7.82 4.58 0.00 2.67 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 22 E 8.88 4.31 0.00 2.11 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 0.00 2.43 2.32 0.00 23 T 8.43 4.06 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 1.28 0.00 0.00 24 K 7.58 4.47 0.00 1.81 1.65 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.55 7.81 25 E 8.39 4.56 0.00 2.11 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 2.63 2.36 0.00 26 H 8.58 5.14 0.00 2.96 2.16 0.00 5.56 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 27 L 8.35 4.90 0.00 1.51 1.35 0.53 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.44 5.54 0.00 2.83 2.82 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 0.00 0.00 0.00 29 V 8.54 4.66 1.85 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 0.57 0.00 0.00 0.45 0.00 0.00 30 L 8.79 4.62 0.00 1.39 1.38 0.66 0.83 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 31 F 9.04 5.32 0.00 2.90 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 32 L 9.05 5.32 0.00 1.75 1.56 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.73 4.76 0.00 4.00 4.02 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 34 T 8.36 3.64 4.09 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 1.08 0.00 0.00 35 K 7.84 4.37 0.00 1.72 1.82 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.35 7.81 36 N 8.33 4.29 0.00 2.94 3.02 0.00 0.00 6.65 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.71 4.49 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 38 I 8.50 4.16 1.46 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.56 0.27 0.00 0.00 39 L 9.08 4.26 0.00 1.70 1.77 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.58 4.75 0.00 1.94 2.10 0.00 2.96 0.00 0.00 3.74 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 41 H 8.76 5.27 0.00 3.21 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.99 4.81 0.00 1.93 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 2.29 2.41 0.00 43 T 8.54 4.12 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 1.06 0.00 0.00 44 I 8.88 3.80 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.84 0.00 0.00 45 T 8.03 4.21 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 1.16 0.00 0.00 46 I 9.29 4.47 1.83 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 1.39 0.54 0.81 0.00 0.00 47 G 7.17 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 48 T 7.86 4.49 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 1.20 0.00 0.00 49 L 8.35 4.20 0.00 1.70 1.61 1.01 1.03 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 50 T 7.97 4.51 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 51 A 8.59 4.06 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 52 S 7.96 4.22 0.00 4.01 4.02 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 53 L 7.58 4.03 0.00 1.84 1.71 0.92 0.65 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 54 I 7.22 3.85 2.03 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 1.27 0.29 0.91 0.00 0.00 55 H 8.39 4.84 0.00 3.24 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.37 0.00 2.27 2.34 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 57 R 8.09 4.00 0.00 1.85 2.02 0.00 3.25 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 58 E 8.50 4.16 0.00 2.20 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 2.35 2.38 0.00 59 I 7.83 3.69 1.66 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 1.55 1.11 0.41 0.00 0.00 60 F 8.24 4.41 0.00 3.26 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 61 K 7.95 3.96 0.00 2.09 1.93 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 62 A 7.96 3.80 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 63 A 7.53 3.18 1.44 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 0.00 0.00 64 I 8.13 3.64 2.05 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 1.43 1.04 0.90 0.00 0.00 65 R 8.03 3.95 0.00 1.75 2.12 0.00 3.22 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 66 E 7.93 4.17 0.00 1.65 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 2.21 2.15 0.00 67 S 7.60 3.57 0.00 4.05 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 0.00 68 A 7.88 4.12 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 69 H 9.45 4.63 0.00 3.26 3.54 0.00 5.74 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 70 S 7.97 5.00 0.00 4.04 3.87 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 71 I 8.72 5.22 1.78 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 1.33 0.93 1.10 0.00 0.00 72 I 8.34 5.01 1.79 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 1.21 0.61 0.95 0.00 0.00 73 L 8.44 4.90 0.00 1.43 1.27 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.95 5.04 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 1.02 0.00 0.00 0.95 0.00 0.00 75 H 9.26 5.60 0.00 3.31 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 9.02 5.45 0.00 3.04 3.17 0.00 0.00 6.48 7.22 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 77 H 9.11 5.21 0.00 3.12 3.27 0.00 5.64 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 78 P 0.00 4.62 0.00 2.06 2.27 0.00 3.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 79 S 7.35 4.23 0.00 3.84 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 80 G 7.71 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.88 4.46 0.00 2.75 2.54 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 82 V 8.30 4.06 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 0.92 0.00 0.00 0.97 0.00 0.00 83 Q 7.21 3.43 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 84 P 0.00 4.53 0.00 2.03 1.64 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.00 85 S 8.49 4.49 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.55 4.50 0.00 2.76 2.92 0.00 0.00 6.68 7.14 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 87 A 7.95 3.98 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 88 D 7.97 4.40 0.00 3.15 2.94 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 0.00 0.00 0.00 89 K 8.31 4.43 0.00 1.92 2.02 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.71 1.82 7.81 90 Q 7.83 4.10 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 91 V 7.78 3.72 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 0.87 0.00 0.00 1.06 0.00 0.00 92 T 7.78 3.84 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 1.06 0.00 0.00 93 S 7.83 4.16 0.00 4.09 3.94 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 0.00 0.00 0.00 94 I 7.79 3.84 1.90 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 1.55 0.76 0.99 0.00 0.00 95 L 8.06 4.29 0.00 1.76 1.85 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.27 3.94 0.00 2.00 1.97 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 97 K 8.01 4.14 0.00 2.03 2.05 0.00 1.38 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.49 7.81 98 A 8.15 3.98 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 99 G 8.36 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.32 0.00 2.90 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 0.00 101 L 7.56 3.87 0.00 1.65 1.78 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.59 4.16 0.00 1.28 1.50 0.31 0.75 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 0.00 103 Q 7.62 3.48 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 104 I 7.44 4.80 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.93 1.17 0.00 0.00 105 E 8.38 4.02 0.00 2.03 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 2.40 2.33 0.00 106 L 8.60 4.61 0.00 1.76 1.66 0.96 0.98 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 0.00 107 L 8.76 4.20 0.00 1.86 1.68 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.73 4.70 0.00 2.75 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 0.00 109 H 8.81 5.34 0.00 2.87 2.46 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 9.20 5.08 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 1.15 0.00 0.00 0.99 0.00 0.00 111 I 9.25 5.01 2.17 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.78 0.00 0.00 112 V 9.21 5.08 2.39 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 0.99 0.00 0.00 1.12 0.00 0.00 113 G 8.91 3.89 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 0.00 0.00 0.00 114 N 8.19 3.93 0.00 2.79 2.88 0.00 0.00 6.45 8.00 0.00 0.00 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 N 7.94 5.31 0.00 2.69 2.77 0.00 0.00 6.66 8.47 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 0.00 116 D 7.98 4.46 0.00 2.71 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 0.00 117 W 7.40 5.83 0.00 3.44 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 9.58 4.74 0.00 3.09 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 0.00 119 S 8.27 5.09 0.00 4.24 3.89 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 0.00 120 F 9.70 4.00 0.00 3.16 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 0.00 121 R 8.97 3.95 0.00 1.91 1.98 0.00 3.12 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 122 D 7.88 4.45 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 7.79 4.60 0.00 2.81 3.29 0.00 6.00 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 0.00 124 A 7.56 3.82 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 0.00 125 L 8.25 4.74 0.00 1.75 1.85 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.04 4.43 0.00 1.76 1.60 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 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