NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4627 8.3044 118.8012 53.6596 33.4236 174.8800 4 S 4.0539 8.3718 110.4436 59.3799 63.9504 173.0090 5 D 4.3132 9.4559 127.5397 57.5129 41.3733 178.3127 6 L 3.9835 7.7902 119.0804 57.6317 41.6081 179.4963 7 V 3.5997 8.2755 118.6542 66.2861 31.5304 178.1524 8 T 3.5299 7.8220 115.4683 66.4834 67.9627 176.6915 9 K 3.8573 8.0717 119.6576 59.2231 32.3613 178.7027 10 F 4.3271 8.4927 121.2562 61.6756 39.4684 177.1268 11 E 3.7619 8.4892 118.3678 59.1833 28.9852 179.4102 12 S 4.3162 7.8628 113.4641 60.1071 63.3276 175.3282 13 L 4.3352 7.4055 122.1961 55.4604 40.6849 178.0665 14 I 3.3784 6.6752 119.8989 64.4375 37.3656 176.8350 15 I 4.0304 7.3217 118.1381 63.0760 37.9039 177.5131 16 S 3.7444 7.0251 112.6930 59.1024 62.9311 175.0506 17 K 3.8694 8.1309 118.2590 56.6490 29.9569 174.3884 18 Y 4.8778 7.7935 120.1788 54.8858 40.7193 173.2797 19 P 4.2770 0.0000 0.0000 62.1720 32.3990 175.8258 20 V 4.1137 8.4892 121.2983 60.7217 34.2086 175.3806 21 S 4.2752 8.5457 123.0760 58.2945 63.4000 174.2652 22 F 4.6793 8.4287 121.9990 57.7574 39.4201 176.0534 23 T 4.3891 8.4049 116.7403 61.5785 71.0564 176.4372 24 K 4.0321 8.6885 127.9367 60.6900 31.5352 178.7997 25 E 4.1887 8.0648 119.0318 61.0233 29.7022 180.9983 26 Q 4.1581 7.8720 120.6465 58.3223 28.6286 179.0203 27 S 4.3818 8.3151 116.0241 61.6949 62.8303 176.7606 28 A 3.9962 8.1040 123.3810 55.1213 17.6200 179.6505 29 Q 3.9323 8.2821 116.4426 59.1490 28.8636 178.8528 30 A 4.2396 8.2894 121.5807 55.2981 18.3513 179.5310 31 A 3.9767 8.3305 119.2647 55.2279 18.3954 179.3552 32 Q 3.7375 8.1432 118.1108 59.4788 29.0119 179.0744 33 W 4.1516 8.1136 119.5861 59.3076 28.9828 178.2664 34 E 3.9959 8.4386 119.6218 59.4431 29.1347 178.9134 35 S 4.0969 8.2462 115.3132 61.6484 62.9078 176.7350 36 V 3.5111 7.8410 120.8562 66.1444 31.2152 178.0323 37 L 4.0633 8.2165 118.5446 57.9507 41.2973 179.8027 38 K 4.0957 8.3310 117.7278 58.9207 32.0548 178.7326 39 S 4.5017 8.0972 112.4334 57.8828 63.4489 174.5169 40 G 3.9777 7.9269 110.6772 46.9019 0.0000 174.0316 41 Q 4.7755 7.7678 115.8624 55.2887 29.3654 177.1716 42 I 4.0013 7.9893 121.5171 65.7606 38.0527 178.4170 43 Q 4.0239 8.4165 120.8534 58.8047 28.6876 176.5162 44 P 4.5221 0.0000 0.0000 64.8335 31.6797 176.6459 45 H 4.7778 8.1212 115.9550 56.0048 28.8421 176.7091 46 L 4.1189 7.9925 123.7317 58.0540 41.4619 179.0986 47 D 4.5158 8.2328 118.4654 57.3993 40.7372 178.4488 48 Q 4.0576 8.1662 119.7801 58.9494 29.0985 177.6894 49 L 3.9899 8.5192 121.7721 58.2555 42.1017 178.5551 50 N 4.3483 8.5008 117.0568 56.4056 38.3789 176.7464 51 L 3.9129 7.9292 121.9232 57.9755 42.1079 178.7509 52 V 3.4609 7.9867 118.4788 66.3523 31.2364 177.9000 53 L 4.2808 7.7438 117.3808 55.9886 41.5073 178.8436 54 R 3.6996 7.5686 118.8476 58.7495 30.1035 176.6403 55 D 4.7976 7.3017 114.1880 53.9263 42.0141 175.9094 56 N 4.9580 7.7818 117.2147 51.3573 42.3070 175.4250 57 T 3.4632 8.6162 119.7258 65.9703 68.7230 174.2889 58 F 5.1420 7.2773 117.7395 55.1239 42.3619 176.3932 59 I 3.4210 8.8769 123.3321 64.3655 36.7785 177.7100 60 V 4.1792 7.7660 117.2126 62.3840 31.5588 175.4741 61 S 3.6751 7.5338 111.5818 59.5633 60.4382 171.7250 62 T 4.6390 7.6759 108.0105 59.9264 71.2679 174.4567 63 L 4.1781 8.2868 120.3692 55.9668 42.1131 176.6614 64 Y 4.6965 7.3637 114.8399 54.8292 41.8388 173.2355 65 P 3.7974 0.0000 0.0000 62.7385 32.2316 175.8717 66 T 4.7055 8.6133 110.4935 59.4232 72.9429 175.1906 67 S 4.1810 8.7976 115.4163 61.5433 62.7745 176.4807 68 T 4.0378 7.6655 119.3308 66.9794 68.2204 176.0187 69 D 4.7356 8.0831 120.0630 57.4682 40.9917 178.8988 70 V 3.6838 7.7446 118.5263 66.2894 31.3350 177.9069 71 H 4.3273 8.6700 116.4191 58.9841 28.5582 178.0069 72 V 3.7967 8.1343 120.1052 65.9371 31.2678 177.6920 73 F 4.2639 8.7993 120.5684 61.4346 38.9337 176.6625 74 E 3.6793 8.1993 117.8085 59.0475 29.8304 178.5419 75 V 3.8116 7.5517 116.4440 65.4937 31.7718 177.9343 76 A 4.0997 8.7687 121.0792 54.8624 18.1411 178.9101 77 L 3.7258 7.9025 119.2688 58.2985 41.9340 177.6813 78 P 4.2360 0.0000 0.0000 65.2947 31.2268 178.6393 79 L 3.9504 7.4778 116.8757 57.9978 41.4778 179.7094 80 I 3.6378 7.8895 119.6647 63.9590 36.9624 178.4444 81 K 3.9064 8.3598 119.8950 59.6878 31.8799 178.7985 82 D 4.3042 8.3746 118.3357 57.1614 41.0588 178.0346 83 L 3.9721 8.1290 119.8103 57.8801 41.4517 179.6911 84 V 3.5620 7.8819 116.5287 66.1396 31.6189 177.5899 85 A 4.1539 8.1765 119.2918 54.6404 18.2810 178.7534 86 S 4.5284 7.9801 110.9850 57.3400 63.7978 174.6313 87 S 4.1958 7.1373 117.0924 58.5232 62.5334 174.5896 88 K 4.0579 8.5537 125.7367 58.6394 32.4767 177.4041 89 D 4.3052 8.0651 118.4173 52.1813 43.1934 175.4655 90 V 3.2933 8.1882 127.8915 65.5852 31.6118 177.2203 91 K 3.6985 7.8688 118.8861 59.8933 32.0192 178.6110 92 S 4.1145 8.1053 114.8696 61.7593 62.5574 176.8814 93 T 3.9146 7.7474 118.2564 66.9773 68.0438 176.1732 94 Y 4.5463 7.7676 117.6493 61.6157 38.0175 178.8502 95 T 4.0871 8.0441 109.2970 64.7427 68.9965 176.4620 96 T 3.9650 7.5364 117.7152 65.0230 68.9941 174.3064 97 Y 5.0820 7.6465 119.2048 56.9379 39.3077 177.8354 98 R 3.8932 8.2153 121.4955 59.9455 30.3308 176.6265 99 H 4.4317 8.0624 115.2516 58.5715 29.0427 177.5541 100 I 3.9327 8.3414 121.7092 64.4432 36.8448 178.4778 101 L 4.1337 8.3442 119.9628 57.6275 41.4982 179.2811 102 R 3.9229 8.0511 118.7599 59.4573 29.9898 178.4285 103 W 4.2263 8.3532 127.8533 60.4016 30.6465 177.9515 104 I 3.5370 8.6999 120.2479 64.4272 36.7113 177.7326 105 D 4.2998 8.3810 118.9367 57.4726 41.0084 177.6496 106 Y 3.7704 7.9046 119.6593 61.1286 38.7974 178.0622 107 M 3.7455 8.1300 120.1678 58.0693 31.7582 178.7958 108 Q 3.9048 8.0561 118.1298 58.8705 28.7456 178.3325 109 N 4.1828 7.7766 118.2319 55.8058 38.4101 176.7870 110 L 3.7000 7.6788 121.2173 58.1359 42.0187 177.8108 111 L 4.2278 7.8572 114.8877 53.8577 42.1700 176.5533 112 E 3.6955 7.4778 117.6734 57.3181 27.2062 175.4777 113 V 3.7577 7.8851 117.7490 62.2915 32.8790 175.7592 114 S 4.2904 8.6250 120.9876 58.6424 63.2100 175.6585 115 S 4.2085 8.5571 117.8199 61.9628 62.8915 176.1791 116 T 4.0333 7.9234 116.1534 66.1885 68.4060 174.9945 117 D 4.5736 7.5405 120.1138 55.6681 41.5984 177.4250 118 K 4.1062 8.0240 118.0526 56.5941 32.6265 175.8672 119 L 4.2947 8.6471 124.0186 54.1309 42.6627 177.2983 120 E 4.2176 8.5666 125.5643 56.2583 27.8354 176.2281 121 I 3.8054 7.9351 126.4784 61.1781 38.1778 176.9540 122 N 4.4873 8.1881 119.5534 52.6304 37.4219 174.4375 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 3 M 8.30 4.46 0.00 2.05 1.95 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 2.42 2.11 0.00 4 S 8.37 4.05 0.00 3.94 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 5 D 9.46 4.31 0.00 2.82 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 6 L 7.79 3.98 0.00 1.70 1.67 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.28 3.60 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 1.14 0.00 0.00 0.90 0.00 0.00 8 T 7.82 3.53 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 0.04 0.00 0.00 9 K 8.07 3.86 0.00 1.83 1.83 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.55 7.81 10 F 8.49 4.33 0.00 3.00 3.25 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 11 E 8.49 3.76 0.00 2.09 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 0.00 2.34 2.41 0.00 12 S 7.86 4.32 0.00 4.03 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 13 L 7.41 4.34 0.00 1.80 1.85 0.71 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 I 6.68 3.38 1.65 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.28 0.75 0.00 0.00 15 I 7.32 4.03 1.43 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.87 0.00 0.00 16 S 7.03 3.74 0.00 3.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.13 3.87 0.00 1.85 1.97 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.36 7.81 18 Y 7.79 4.88 0.00 2.76 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.28 0.00 2.08 1.95 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.92 0.00 20 V 8.49 4.11 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 0.84 0.00 0.00 0.64 0.00 0.00 21 S 8.55 4.28 0.00 3.92 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 22 F 8.43 4.68 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.40 4.39 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 1.24 0.00 0.00 24 K 8.69 4.03 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.08 7.81 25 E 8.06 4.19 0.00 1.97 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 1.97 0.00 26 Q 7.87 4.16 0.00 1.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 27 S 8.32 4.38 0.00 4.09 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 28 A 8.10 4.00 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 29 Q 8.28 3.93 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 30 A 8.29 4.24 1.65 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 0.00 0.00 31 A 8.33 3.98 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 32 Q 8.14 3.74 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 1.68 2.11 0.00 33 W 8.11 4.15 0.00 3.56 3.29 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 34 E 8.44 4.00 0.00 2.25 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 0.00 2.35 2.43 0.00 35 S 8.25 4.10 0.00 4.00 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 36 V 7.84 3.51 2.29 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 1.13 0.00 0.00 0.35 0.00 0.00 37 L 8.22 4.06 0.00 1.97 1.76 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.33 4.10 0.00 1.85 1.89 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.56 7.81 39 S 8.10 4.50 0.00 4.05 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 40 G 7.93 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 0.00 0.00 0.00 41 Q 7.77 4.78 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 42 I 7.99 4.00 1.95 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 1.42 1.26 1.02 0.00 0.00 43 Q 8.42 4.02 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 44 P 0.00 4.52 0.00 2.20 2.16 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 45 H 8.12 4.78 0.00 3.58 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.99 4.12 0.00 1.86 1.79 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.23 4.52 0.00 2.75 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 48 Q 8.17 4.06 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.90 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 49 L 8.52 3.99 0.00 1.95 1.87 -0.13 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.50 4.35 0.00 3.18 3.06 0.00 0.00 6.87 6.26 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 51 L 7.93 3.91 0.00 1.99 1.79 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.99 3.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.17 0.00 0.00 53 L 7.74 4.28 0.00 1.55 1.59 0.17 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.57 3.70 0.00 1.69 1.99 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.29 0.00 55 D 7.30 4.80 0.00 2.47 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 56 N 7.78 4.96 0.00 2.67 2.68 0.00 0.00 6.93 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 57 T 8.62 3.46 3.74 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 -0.05 0.00 0.00 58 F 7.28 5.14 0.00 3.15 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.88 3.42 1.70 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.17 0.25 0.00 0.00 60 V 7.77 4.18 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 0.43 0.00 0.00 1.01 0.00 0.00 61 S 7.53 3.68 0.00 3.93 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 62 T 7.68 4.64 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 1.38 0.00 0.00 63 L 8.29 4.18 0.00 1.21 1.09 0.94 0.66 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 64 Y 7.36 4.70 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 65 P 0.00 3.80 0.00 1.94 1.62 0.00 3.32 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 66 T 8.61 4.71 4.57 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 1.40 0.00 0.00 67 S 8.80 4.18 0.00 4.13 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 0.00 68 T 7.67 4.04 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 1.28 0.00 0.00 69 D 8.08 4.74 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.68 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 1.05 0.00 0.00 0.95 0.00 0.00 71 H 8.67 4.33 0.00 3.37 3.41 0.00 5.69 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 72 V 8.13 3.80 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 73 F 8.80 4.26 0.00 2.73 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.20 3.68 0.00 2.22 2.14 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 2.30 2.28 0.00 75 V 7.55 3.81 2.14 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 1.00 0.00 0.00 0.98 0.00 0.00 76 A 8.77 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.90 3.73 0.00 1.14 1.34 0.81 0.82 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 78 P 0.00 4.24 0.00 2.15 2.03 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 79 L 7.48 3.95 0.00 1.93 1.67 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.89 3.64 1.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.98 0.92 0.00 0.00 81 K 8.36 3.91 0.00 1.95 1.87 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.58 7.81 82 D 8.37 4.30 0.00 2.68 2.79 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 83 L 8.13 3.97 0.00 1.89 1.74 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.88 3.56 2.35 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 0.92 0.00 0.00 1.14 0.00 0.00 85 A 8.18 4.15 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 86 S 7.98 4.53 0.00 3.93 3.91 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 87 S 7.14 4.20 0.00 3.93 3.81 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 88 K 8.55 4.06 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.37 7.81 89 D 8.07 4.31 0.00 2.65 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 90 V 8.19 3.29 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 0.25 0.00 0.00 0.82 0.00 0.00 91 K 7.87 3.70 0.00 1.83 1.93 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.60 7.81 92 S 8.11 4.11 0.00 4.05 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 93 T 7.75 3.91 4.30 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 1.43 0.00 0.00 94 Y 7.77 4.55 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.04 4.09 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 1.34 0.00 0.00 96 T 7.54 3.97 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 0.38 0.00 0.00 97 Y 7.65 5.08 0.00 3.12 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 98 R 8.22 3.89 0.00 1.73 1.57 0.00 3.15 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 99 H 8.06 4.43 0.00 3.49 3.42 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 0.00 100 I 8.34 3.93 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 1.51 0.84 1.16 0.00 0.00 101 L 8.34 4.13 0.00 1.94 1.73 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.05 3.92 0.00 1.95 2.23 0.00 3.07 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 1.69 0.00 103 W 8.35 4.23 0.00 3.38 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 0.00 104 I 8.70 3.54 2.06 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 1.67 1.06 1.04 0.00 0.00 105 D 8.38 4.30 0.00 2.92 2.88 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 0.00 106 Y 7.90 3.77 0.00 3.27 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 0.00 107 M 8.13 3.75 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.86 0.00 108 Q 8.06 3.90 0.00 2.34 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 109 N 7.78 4.18 0.00 2.85 2.71 0.00 0.00 6.49 6.17 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 0.00 110 L 7.68 3.70 0.00 1.16 1.61 0.82 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.86 4.23 0.00 1.65 1.64 0.81 1.07 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 0.00 112 E 7.48 3.70 0.00 2.01 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 2.20 2.16 0.00 113 V 7.89 3.76 2.14 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 0.84 0.00 0.00 1.09 0.00 0.00 114 S 8.62 4.29 0.00 4.04 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 0.00 115 S 8.56 4.21 0.00 3.88 3.97 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 0.00 116 T 7.92 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 1.21 0.00 0.00 117 D 7.54 4.57 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.02 4.11 0.00 1.72 1.78 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.68 7.81 119 L 8.65 4.29 0.00 1.60 1.60 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.57 4.22 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 121 I 7.94 3.81 1.83 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 1.25 0.28 0.84 0.00 0.00 122 N 8.19 4.49 0.00 2.74 2.59 0.00 0.00 6.59 7.56 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