NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.5779 8.0544 120.3456 62.5126 32.4119 174.8238 2 E 4.1055 8.0612 127.4317 53.3924 29.2443 173.8823 3 W 4.6306 8.1507 127.0284 56.8418 30.9696 176.8310 4 T 4.4658 9.1455 113.7509 61.0560 70.8455 175.8472 5 D 4.4168 8.6037 121.6636 57.4106 40.7569 178.9814 6 K 3.9384 8.0673 119.6669 59.5654 32.2634 178.5087 7 E 4.0535 8.4828 118.8663 59.5533 29.4580 179.5408 8 R 3.7289 8.0963 118.0250 59.3067 30.0604 179.3466 9 S 4.1219 8.3371 115.0799 61.5468 62.7505 176.7161 10 I 3.7116 8.0125 122.6997 64.6007 36.9242 178.5579 11 I 3.8142 7.8362 120.5121 64.4020 36.8748 178.4989 12 S 4.0762 8.1252 113.9718 61.3031 62.0094 175.6293 13 D 4.3697 8.2689 119.9580 57.4186 41.1550 177.9004 14 I 3.8210 8.0774 120.4837 64.7355 36.7462 178.5989 15 F 4.1144 8.5050 118.5057 60.1794 38.5020 177.6072 16 S 4.3643 8.2180 112.7157 60.2805 63.1590 175.0495 17 H 4.7208 7.6625 117.9411 54.7011 29.3786 173.8812 18 M 4.1846 7.2789 121.2326 54.7232 32.9858 175.9844 19 D 4.7018 8.4270 125.2635 53.1863 41.4563 176.2106 20 Y 4.2218 8.6312 125.9806 61.2279 37.7846 178.1530 21 D 4.4188 8.3370 118.1409 56.2804 40.7454 177.3212 22 D 4.5991 7.8962 118.0026 56.5636 41.9118 178.2444 23 I 3.8278 8.0423 120.7482 64.0760 37.0664 178.5815 24 G 3.6427 8.3397 106.8498 47.5749 0.0000 173.9612 25 P 4.2812 0.0000 0.0000 64.9165 31.3378 178.9234 26 K 3.9115 7.7820 116.0409 59.2542 31.9341 179.3316 27 A 3.9345 8.1765 121.1848 55.0674 18.2838 179.5245 28 L 3.8751 7.8696 119.1514 58.2253 42.3236 179.2008 29 S 4.0145 8.2515 114.5578 61.4612 62.8125 176.4753 30 R 3.7925 8.1421 122.3965 59.2018 29.7557 178.0451 31 C 4.1855 8.1801 118.5088 62.5548 31.6457 175.6035 32 L 3.9049 8.1810 120.4927 57.1593 40.8502 179.2481 33 I 3.8133 7.0855 118.5922 63.5909 37.6168 177.9504 34 V 3.5040 7.8033 118.3575 64.3424 32.8405 175.7700 35 Y 3.6888 7.4179 115.5863 53.9860 38.0336 174.1638 36 P 4.8051 0.0000 0.0000 64.4529 31.7163 178.3775 37 W 4.3655 7.6753 116.4096 59.3180 28.0912 177.7485 38 T 4.1737 7.7006 110.5021 63.9370 68.1681 176.2958 39 Q 4.3012 8.1928 121.6796 58.4879 28.4585 178.2178 40 R 3.9539 7.7303 115.8966 58.5366 29.4319 177.4207 41 H 4.4226 7.4796 114.9836 55.5760 29.0020 175.0483 42 F 4.2188 7.6205 119.6958 56.7434 39.8605 176.7547 43 S 4.2338 8.4967 117.3385 62.2514 62.5988 176.1803 44 G 4.0021 8.0013 104.9796 46.2262 0.0000 174.5716 45 F 4.8326 8.1350 120.2762 55.8476 38.5874 175.4879 46 G 4.0332 7.7782 114.6762 44.8894 0.0000 173.2087 47 N 4.3041 8.5737 123.4592 53.1796 37.6412 173.4072 48 L 4.8615 8.1743 119.9212 54.2339 43.4636 177.2601 49 Y 4.4081 8.3125 122.5457 60.6711 38.8497 175.8580 50 N 4.5418 7.6141 114.7727 50.3557 41.1848 174.6316 51 A 3.8817 8.4078 121.4137 55.4722 18.2103 179.1931 52 E 3.8073 8.1704 116.7516 59.3540 29.5108 178.6832 53 A 3.9842 8.6301 119.6147 55.2477 18.7954 179.2832 54 I 3.8025 7.8529 118.2827 64.8154 37.0198 178.7458 55 I 3.7997 7.8774 119.4276 63.9133 37.0180 177.8738 56 G 4.0323 7.7680 103.6618 43.7693 0.0000 173.1943 57 N 4.3308 7.7059 121.0676 53.3569 39.2048 175.4803 58 A 3.9917 8.5683 128.4529 54.9757 18.4705 178.8348 59 N 3.9488 8.3107 115.6283 56.1095 38.4095 177.7738 60 V 3.6896 7.7883 119.0192 65.8160 31.6943 177.6976 61 A 3.9487 8.1527 120.4279 55.1739 18.2665 179.3375 62 A 3.9510 8.0413 119.2041 55.8608 18.3524 179.6712 63 H 4.3918 8.5268 114.7949 58.8835 28.8108 178.3345 64 G 3.6271 8.4380 107.8127 47.8053 0.0000 175.8991 65 I 3.8555 8.0733 122.2281 64.0942 37.1157 178.6453 66 K 4.0837 8.0911 119.3999 59.3661 31.6647 179.3862 67 V 3.7111 7.9193 117.5968 66.1855 31.7816 177.7279 68 L 4.1075 7.8807 118.4679 58.2714 41.4698 179.3864 69 H 4.8703 8.7343 116.1595 58.7101 28.3779 178.0500 70 G 3.8333 8.1695 106.9116 47.3884 0.0000 175.2644 71 L 4.7634 8.0451 122.0541 56.3683 41.6680 178.7116 72 D 4.3644 8.1048 119.8242 57.4739 40.6649 178.9999 73 R 3.9857 8.1318 116.0587 59.0578 29.1625 179.1064 74 G 3.8818 8.1032 105.4919 47.7745 0.0000 175.4077 75 V 3.2596 7.5513 119.8242 65.3792 31.4788 177.7076 76 K 4.2018 8.0980 118.8507 58.0188 33.3310 176.2677 77 N 4.8799 7.8293 118.0473 51.3636 38.8768 174.1336 78 M 4.2609 8.2696 121.7030 57.0668 32.3982 176.9442 79 D 5.0118 7.9629 117.2893 54.4079 41.6186 175.9001 80 N 5.1546 8.2706 118.7204 52.7503 40.1203 176.7372 81 I 3.8672 8.3705 118.2211 64.1885 37.1501 177.2513 82 A 4.0436 8.1565 119.3603 55.4126 18.5527 179.1010 83 A 4.1139 7.9807 118.5482 55.5769 18.3694 179.7295 84 T 3.7734 7.8426 113.3204 66.4819 68.7057 175.3874 85 Y 4.3470 7.7951 116.1274 57.7943 38.0493 177.3227 86 A 4.0346 7.8507 124.8115 55.4263 18.4870 180.2485 87 D 4.3108 7.9913 116.9047 57.4835 41.0328 178.7780 88 L 4.0897 7.9111 119.0750 57.7071 41.6500 179.3153 89 S 4.0421 8.5201 113.5310 61.8380 62.3393 176.4414 90 T 3.9189 7.9376 118.4031 66.3132 68.0371 176.3733 91 L 3.9261 8.0564 122.2475 58.7644 42.2410 178.9799 92 H 4.1889 8.4208 115.9067 58.9994 28.6273 176.9143 93 S 4.3753 8.3203 115.6987 60.8152 62.0572 175.8957 94 E 3.9534 8.5674 122.7250 58.8996 29.5628 178.4535 95 K 4.1113 7.7293 118.1580 58.6891 32.7533 177.5431 96 L 4.1212 7.9179 116.5305 55.2101 41.9428 176.4989 97 H 4.1532 7.5782 114.4264 56.5313 26.7219 174.9948 98 V 3.6662 8.0948 118.9509 61.9319 32.1856 175.0863 99 D 4.4293 8.5246 127.0575 53.3648 41.4315 175.1154 100 P 4.3448 0.0000 0.0000 66.0996 30.7409 178.1383 101 D 4.3327 8.6745 118.0177 57.1030 41.0510 177.8420 102 N 4.2503 8.0975 117.3545 55.9617 38.3296 177.2935 103 F 4.2616 7.2595 118.9543 60.2369 38.9396 177.5445 104 K 3.9270 8.0128 118.8394 59.3898 32.2370 178.6078 105 L 3.6717 7.3982 118.9170 57.7284 41.4147 179.3349 106 L 4.0361 7.9815 120.3977 58.1655 42.0279 179.1537 107 S 4.1574 8.3666 114.3846 61.5495 62.8548 176.2567 108 D 4.4649 8.3783 122.5522 57.3633 40.4651 178.5125 109 C 4.2156 8.1086 117.0664 62.6433 28.0064 176.1541 110 I 3.7269 8.0966 121.6617 64.7292 36.6665 178.5068 111 T 4.0748 8.2042 116.5016 66.9360 68.3531 176.7803 112 I 3.6315 8.0018 121.7389 64.2565 37.0969 178.7507 113 V 3.4986 7.9509 119.3354 65.7329 31.3411 177.8819 114 L 3.6211 8.0108 120.2650 57.7955 41.7394 178.6877 115 A 3.0182 7.4728 120.6729 54.8710 18.0231 179.4319 116 A 3.8208 7.5014 117.9408 54.9706 18.4413 179.6489 117 K 3.9386 7.4365 117.1513 60.0932 32.7097 178.9681 118 M 4.1578 8.4564 119.2629 55.5886 32.2286 177.9393 119 G 3.6825 8.8930 107.9613 46.8756 0.0000 177.1109 120 H 4.3829 8.8704 121.3030 57.7415 28.5722 175.9895 121 A 4.1527 7.8532 121.5570 53.8850 18.7971 178.0494 122 F 4.5391 7.9808 120.5731 56.9829 37.9151 175.0401 123 T 4.1267 7.3522 115.7046 60.8065 71.2310 175.1345 124 A 3.8909 8.3647 122.5465 55.4116 18.3668 179.4799 125 E 3.8883 8.0544 117.2082 59.5593 29.6996 179.0830 126 T 3.7695 7.4697 115.7432 66.5390 68.4230 176.4282 127 Q 3.6091 7.9513 121.9194 58.8878 29.0101 178.5883 128 G 3.6255 8.4141 106.8719 47.8508 0.0000 175.5729 129 A 4.2367 8.0335 123.5826 54.6969 18.3377 179.5420 130 F 4.3597 8.5661 119.2581 61.8341 39.5058 177.4904 131 Q 3.9993 8.7298 118.0678 58.6561 28.4446 178.6902 132 K 3.9774 8.3492 120.8646 59.3804 32.2813 178.5985 133 F 4.4839 8.6695 120.9970 61.5920 39.3831 177.0958 134 L 3.5488 8.0638 118.4778 57.4759 41.2641 179.3474 135 A 3.9237 8.2191 121.1361 55.1298 18.4034 179.8903 136 V 3.4013 7.6918 116.7372 66.0138 31.5319 178.5014 137 V 2.9820 7.2169 118.0296 65.6823 31.1625 178.1668 138 V 3.3101 7.9201 118.3892 65.8165 31.3209 177.9312 139 S 3.9485 8.0799 112.7556 61.2341 62.0832 176.0635 140 A 3.9376 7.6366 123.1282 55.0906 17.9083 179.6507 141 L 3.7259 7.6067 116.7942 57.5977 41.6989 179.3778 142 G 3.8590 7.8939 102.4609 44.1042 0.0000 173.2303 143 K 3.8339 7.4988 119.2430 57.3563 30.1294 175.9229 144 Q 3.9105 7.8256 116.4101 55.7987 29.5450 176.4602 145 Y 4.5872 7.9305 119.9196 58.1444 38.6263 175.5694 146 H 4.4679 8.5928 119.3870 56.0519 28.3451 173.1895 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 V 8.05 3.58 1.14 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 -0.48 0.00 0.00 0.54 0.00 0.00 2 E 8.06 4.11 0.00 1.96 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 2.21 2.40 0.00 3 W 8.15 4.63 0.00 3.39 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.15 4.47 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 1.27 0.00 0.00 5 D 8.60 4.42 0.00 2.78 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 6 K 8.07 3.94 0.00 1.85 1.85 0.00 1.74 0.00 0.00 2.04 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 7 E 8.48 4.05 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 8 R 8.10 3.73 0.00 2.03 1.89 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.88 0.00 9 S 8.34 4.12 0.00 4.01 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 10 I 8.01 3.71 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.92 0.96 0.00 0.00 11 I 7.84 3.81 1.61 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 1.51 0.71 0.33 0.00 0.00 12 S 8.13 4.08 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 13 D 8.27 4.37 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.08 3.82 2.09 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 1.48 1.32 0.46 0.00 0.00 15 F 8.50 4.11 0.00 3.11 3.26 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 0.00 16 S 8.22 4.36 0.00 3.99 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 17 H 7.66 4.72 0.00 3.08 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.28 4.18 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 19 D 8.43 4.70 0.00 2.84 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 20 Y 8.63 4.22 0.00 2.86 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 21 D 8.34 4.42 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.90 4.60 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.04 3.83 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.59 0.81 0.00 0.00 24 G 8.34 3.64 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 0.00 25 P 0.00 4.28 0.00 2.16 2.10 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 26 K 7.78 3.91 0.00 2.00 1.81 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.50 7.81 27 A 8.18 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.87 3.88 0.00 1.78 1.62 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.25 4.01 0.00 4.02 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 30 R 8.14 3.79 0.00 1.95 2.09 0.00 3.06 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 31 C 8.18 4.19 0.00 3.15 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 32 L 8.18 3.90 0.00 1.76 1.63 0.69 0.96 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 33 I 7.09 3.81 1.75 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 1.32 0.48 0.80 0.00 0.00 34 V 7.80 3.50 1.56 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 -0.05 0.00 0.00 0.73 0.00 0.00 35 Y 7.42 3.69 0.00 2.60 1.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.81 0.00 2.26 2.30 0.00 3.45 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 37 W 7.68 4.37 0.00 3.58 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 38 T 7.70 4.17 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 39 Q 8.19 4.30 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 40 R 7.73 3.95 0.00 1.92 2.05 0.00 2.95 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.27 0.00 41 H 7.48 4.42 0.00 2.14 2.65 0.00 5.59 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.62 4.22 0.00 2.74 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.50 4.23 0.00 3.84 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 44 G 8.00 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 45 F 8.14 4.83 0.00 3.26 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 46 G 7.78 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 47 N 8.57 4.30 0.00 2.75 2.93 0.00 0.00 6.53 7.85 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 48 L 8.17 4.86 0.00 1.66 1.66 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.31 4.41 0.00 2.93 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 50 N 7.61 4.54 0.00 2.68 2.05 0.00 0.00 6.11 7.04 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 51 A 8.41 3.88 1.27 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 52 E 8.17 3.81 0.00 2.02 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 0.00 2.39 2.38 0.00 53 A 8.63 3.98 1.42 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 0.00 0.00 0.00 54 I 7.85 3.80 1.96 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 1.52 0.76 0.86 0.00 0.00 55 I 7.88 3.80 1.89 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 1.41 0.59 0.88 0.00 0.00 56 G 7.77 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 57 N 7.71 4.33 0.00 2.98 2.85 0.00 0.00 6.99 7.78 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 58 A 8.57 3.99 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 59 N 8.31 3.95 0.00 2.35 1.42 0.00 0.00 6.48 7.25 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 60 V 7.79 3.69 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 0.96 0.00 0.00 1.03 0.00 0.00 61 A 8.15 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.04 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.53 4.39 0.00 3.52 3.65 0.00 5.82 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 64 G 8.44 3.63 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 0.00 0.00 0.00 65 I 8.07 3.86 2.11 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 1.79 0.76 1.15 0.00 0.00 66 K 8.09 4.08 0.00 2.15 1.97 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.64 7.81 67 V 7.92 3.71 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.12 0.00 0.00 68 L 7.88 4.11 0.00 1.66 0.85 0.67 1.08 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 69 H 8.73 4.87 0.00 3.34 3.50 0.00 5.62 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 70 G 8.17 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 71 L 8.05 4.76 0.00 2.13 2.01 1.20 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.10 4.36 0.00 3.00 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 73 R 8.13 3.99 0.00 1.89 2.11 0.00 2.21 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.10 0.00 74 G 8.10 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 75 V 7.55 3.26 1.89 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 0.48 0.00 0.00 -0.42 0.00 0.00 76 K 8.10 4.20 0.00 1.74 1.93 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.41 7.81 77 N 7.83 4.88 0.00 2.73 2.63 0.00 0.00 7.22 7.50 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 78 M 8.27 4.26 0.00 1.27 1.78 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.18 0.00 79 D 7.96 5.01 0.00 2.71 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 80 N 8.27 5.15 0.00 2.80 2.72 0.00 0.00 7.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.37 3.87 1.99 0.00 0.00 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 1.79 1.17 0.93 0.00 0.00 82 A 8.16 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 83 A 7.98 4.11 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 84 T 7.84 3.77 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 0.80 0.00 0.00 85 Y 7.80 4.35 0.00 3.07 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 86 A 7.85 4.03 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 87 D 7.99 4.31 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.91 4.09 0.00 1.92 1.85 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.52 4.04 0.00 3.99 4.07 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 0.00 0.00 0.00 90 T 7.94 3.92 4.41 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 1.25 0.00 0.00 91 L 8.06 3.93 0.00 1.78 1.87 0.90 0.81 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 92 H 8.42 4.19 0.00 3.49 3.65 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.32 4.38 0.00 4.00 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 94 E 8.57 3.95 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 2.37 2.33 0.00 95 K 7.73 4.11 0.00 1.68 1.96 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 96 L 7.92 4.12 0.00 1.75 1.62 0.86 1.26 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 97 H 7.58 4.15 0.00 3.35 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.09 3.67 2.11 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 0.14 0.00 0.00 0.67 0.00 0.00 99 D 8.52 4.43 0.00 2.79 2.48 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 0.00 100 P 0.00 4.34 0.00 2.33 2.51 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 101 D 8.67 4.33 0.00 2.77 2.78 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 0.00 102 N 8.10 4.25 0.00 2.40 2.63 0.00 0.00 6.88 8.88 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 0.00 103 F 7.26 4.26 0.00 3.04 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 0.00 104 K 8.01 3.93 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.46 7.81 105 L 7.40 3.67 0.00 1.53 0.66 0.70 -0.13 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 0.00 106 L 7.98 4.04 0.00 1.78 1.84 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.37 4.16 0.00 4.05 4.18 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 0.00 108 D 8.38 4.46 0.00 2.96 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 0.00 109 C 8.11 4.22 0.00 3.22 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 0.00 110 I 8.10 3.73 2.16 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.14 0.00 0.00 111 T 8.20 4.07 4.56 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 1.54 0.00 0.00 112 I 8.00 3.63 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.87 0.00 0.00 113 V 7.95 3.50 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 0.91 0.00 0.00 0.98 0.00 0.00 114 L 8.01 3.62 0.00 1.44 1.14 0.59 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.47 3.02 1.02 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 0.00 0.00 116 A 7.50 3.82 1.26 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 0.00 0.00 0.00 117 K 7.44 3.94 0.00 1.67 1.83 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 118 M 8.46 4.16 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 119 G 8.89 3.68 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 0.00 0.00 0.00 120 H 8.87 4.38 0.00 3.17 3.39 0.00 5.70 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 0.00 121 A 7.85 4.15 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 0.00 122 F 7.98 4.54 0.00 2.85 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 0.00 123 T 7.35 4.13 4.20 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 1.26 0.00 0.00 124 A 8.36 3.89 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 0.00 125 E 8.05 3.89 0.00 2.03 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 2.38 2.41 0.00 126 T 7.47 3.77 4.07 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 0.00 0.00 1.06 0.00 0.00 127 Q 7.95 3.61 0.00 1.38 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 128 G 8.41 3.63 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 0.00 0.00 0.00 129 A 8.03 4.24 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 4.36 0.00 3.26 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 0.00 131 Q 8.73 4.00 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 132 K 8.35 3.98 0.00 2.08 2.26 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.25 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.40 7.81 133 F 8.67 4.48 0.00 3.13 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 L 8.06 3.55 0.00 1.53 1.52 0.67 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.22 3.92 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 0.00 136 V 7.69 3.40 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 1.01 0.00 0.00 1.00 0.00 0.00 137 V 7.22 2.98 1.57 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 0.08 0.00 0.00 -0.04 0.00 0.00 138 V 7.92 3.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 139 S 8.08 3.95 0.00 3.87 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 0.00 140 A 7.64 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.61 3.73 0.00 0.66 0.13 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.89 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 0.00 143 K 7.50 3.83 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.38 7.81 144 Q 7.83 3.91 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 145 Y 7.93 4.59 0.00 3.01 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 0.00 146 H 8.59 4.47 0.00 3.19 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00