NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6499 0.0000 0.0000 62.6449 32.6742 174.7246 2 I 4.0103 8.1476 119.0869 60.0420 38.0965 170.6661 3 V 4.5258 8.2603 118.8280 59.7651 34.9495 175.3118 4 D 5.0661 8.4486 119.5593 53.0936 39.9957 175.2537 5 T 4.6956 7.4504 114.1323 63.6071 73.6547 176.8604 6 G 3.8721 8.7549 113.1608 46.6905 0.0000 176.0928 7 S 4.6373 8.3750 117.4535 56.7655 65.2290 172.7962 8 V 4.4523 7.8502 115.2040 58.9669 35.1964 175.7664 9 A 4.1680 8.3936 125.4660 51.3604 18.9259 175.9057 10 P 4.3854 0.0000 0.0000 62.3406 32.0292 176.6935 11 L 4.3135 8.2043 121.6128 54.6216 42.4029 177.7481 12 S 4.5344 9.4917 118.6686 57.3614 65.7977 175.1202 13 A 3.9410 8.6824 125.1251 55.6511 18.0917 180.1352 14 A 3.9353 7.9164 118.3421 55.3689 18.5357 179.5210 15 E 3.9374 8.0848 117.0661 59.4775 29.4731 179.5613 16 K 3.8881 8.3152 118.8004 60.0032 32.2941 179.3308 17 T 3.8861 7.8055 115.3840 66.6465 68.3016 176.7589 18 K 4.0180 7.9881 119.8389 59.4514 32.0270 179.3703 19 I 3.8438 8.0207 120.0625 64.7135 37.1504 178.5016 20 R 4.0973 8.3048 118.9806 59.5733 29.6484 179.4244 21 S 4.1341 7.8822 113.0886 61.7300 63.0553 176.3120 22 A 4.1234 8.0416 122.0528 54.6949 18.3109 179.3574 23 W 4.3478 9.0995 127.2610 61.1436 30.9722 178.5449 24 A 3.9591 8.1758 120.6718 54.5683 17.8124 177.6602 25 P 4.1411 0.0000 0.0000 65.6428 31.7902 178.7033 26 V 3.5439 7.5972 116.8796 66.2069 31.1865 177.5295 27 Y 3.9854 7.0763 117.2321 60.5096 38.7418 177.3280 28 S 4.2245 7.8306 115.6659 60.8013 63.7190 174.7280 29 T 4.5194 7.6878 112.2885 59.3496 68.7817 175.2846 30 Y 4.1676 7.7046 121.8699 61.0189 38.0873 177.1652 31 E 3.7693 7.2808 120.2092 59.8035 29.5672 179.1347 32 T 3.9763 7.6365 114.8308 66.5119 68.8310 176.7219 33 S 4.2102 8.0172 117.0973 61.9206 62.9966 177.1343 34 G 3.8849 8.5064 108.2346 48.0744 0.0000 175.6394 35 V 3.6271 7.4235 119.5654 65.6347 31.5524 177.6371 36 D 4.3615 8.1653 118.5018 57.5374 40.6596 178.7033 37 I 3.7506 7.8343 120.0192 64.6203 37.1259 178.2370 38 L 4.1091 8.0782 120.8433 58.2687 41.9143 179.1811 39 V 3.5660 8.2842 118.6971 65.5868 31.4438 177.9638 40 K 3.9444 8.6197 119.9172 59.4469 31.9689 178.3466 41 F 4.2102 8.5112 121.0416 61.4120 39.0923 176.8235 42 F 3.6345 8.2815 118.9586 61.4558 39.3138 176.9360 43 T 3.9655 8.0186 108.2394 64.0717 68.6390 175.5557 44 S 4.6129 7.6419 114.0568 57.9458 65.2351 174.6755 45 T 4.4837 6.9670 119.1315 60.0577 69.0060 172.1356 46 P 4.2649 0.0000 0.0000 64.8423 31.6129 177.5588 47 A 4.1967 8.0257 117.1360 54.7949 18.4044 178.3214 48 A 4.3245 7.4384 116.6343 52.3758 19.3683 178.8514 49 Q 4.0635 8.2362 118.2280 58.5607 28.5130 178.0619 50 E 4.1710 8.0996 115.7076 58.0018 29.7612 177.2454 51 F 4.3537 8.2326 117.5940 58.1518 39.6642 176.3732 52 F 4.5109 8.0729 121.0942 54.3240 38.3496 173.9665 53 P 4.2986 0.0000 0.0000 65.4762 31.5675 178.7987 54 K 4.2523 7.8843 115.0451 58.3116 32.3500 177.3777 55 F 4.9603 8.1203 117.3531 56.9047 39.2286 175.7461 56 K 4.2166 7.7408 121.2479 58.2226 32.2246 175.9280 57 G 4.0972 9.1800 111.0841 45.6131 0.0000 173.5838 58 L 4.3000 7.8157 120.1976 54.3776 41.8259 175.9307 59 T 4.5316 8.5399 113.2904 63.1072 70.7842 175.0872 60 T 4.1286 7.6049 111.5212 60.6561 69.9892 174.9936 61 A 4.1744 8.4212 124.0327 53.8173 18.2157 179.4826 62 D 4.3084 7.7830 116.2298 57.0993 41.8137 177.7286 63 Q 4.0811 8.2053 118.6899 58.9818 28.6883 178.4202 64 L 3.6552 7.4042 119.9577 58.0601 41.5662 179.8703 65 K 3.9781 7.3709 114.5733 58.2199 32.0441 178.2731 66 K 4.3494 7.8429 117.6480 55.6574 33.6293 176.8537 67 S 4.3185 7.6310 115.1569 57.6599 64.0091 174.6201 68 A 4.1450 8.5690 130.2035 54.9783 18.4032 179.5039 69 D 4.5859 7.9872 118.1865 57.4082 40.8169 179.0399 70 V 3.6075 7.6743 118.4962 65.8308 31.5432 178.1896 71 R 3.9707 7.9273 117.4358 58.9607 29.9777 178.7034 72 W 4.7950 8.4590 128.0889 61.0963 30.7254 177.3057 73 H 3.9713 8.4761 117.5866 59.4124 29.3091 177.0659 74 A 4.1660 8.5537 122.7108 55.1890 18.0565 179.5061 75 E 4.2292 8.9011 117.7416 59.5300 29.5211 179.8192 76 R 3.7357 7.8586 118.2757 59.0613 30.1996 178.8714 77 I 3.6676 7.5493 119.1589 64.7414 37.2245 178.3655 78 I 3.9742 7.9048 120.3693 64.8360 36.9032 178.0957 79 N 4.5123 8.1665 116.7589 55.6062 38.5751 177.4134 80 A 3.9222 7.9030 122.6711 54.9850 18.3551 179.8781 81 V 3.3241 7.7083 116.4791 66.0958 31.6519 177.7220 82 N 4.0666 8.1127 116.7295 56.7606 38.3912 176.5637 83 D 4.2257 7.9173 119.5607 56.9910 41.1952 178.2404 84 A 3.9599 7.5687 120.8941 55.2457 18.2047 179.5268 85 V 3.3001 7.5287 116.5517 66.3747 31.1683 177.9822 86 A 4.0683 7.7205 118.5310 53.9795 18.5060 178.6436 87 S 4.5586 8.0852 112.8918 58.4882 63.0263 175.6919 88 M 4.1423 7.4627 123.1846 58.2126 31.8553 177.2931 89 D 4.5725 7.9416 116.3666 55.0809 42.0015 176.1063 90 D 4.8178 8.0353 119.8897 51.4770 40.9654 175.6422 91 T 3.8455 7.9914 117.6897 64.5634 67.3766 174.7101 92 E 3.9013 8.1566 120.1275 59.2897 29.7316 178.9817 93 K 3.9030 7.9382 119.6295 59.6731 32.3498 178.2368 94 M 3.9296 7.9101 118.4677 59.0454 31.9905 178.1313 95 S 4.0191 7.9315 114.5162 61.6783 63.1483 176.1726 96 M 3.9117 7.7577 121.1996 58.6895 31.8721 179.0403 97 K 3.8782 7.8284 117.6510 59.6978 32.2779 179.4563 98 L 3.9412 7.7639 118.8261 57.8613 41.6484 179.8071 99 R 3.9136 8.6036 118.3702 59.1740 30.0455 178.6935 100 D 4.2551 7.9920 117.6786 57.2229 41.3676 178.0501 101 L 3.9967 7.8689 120.9246 57.9822 42.0115 178.8411 102 S 4.1695 8.6734 113.7303 61.2393 62.2662 176.2202 103 G 3.5462 7.8396 108.0231 47.9059 0.0000 175.5547 104 K 3.5210 7.7308 120.8497 59.3546 32.0336 179.1785 105 H 4.3549 8.1718 115.8651 58.7812 28.4532 177.7695 106 A 3.6036 7.5511 121.6186 54.4885 18.2602 179.1873 107 K 4.0689 7.9251 115.7911 57.8870 32.6403 178.1103 108 S 4.4338 7.3312 113.0213 60.2344 63.8944 175.4754 109 F 4.6545 7.3995 116.6332 58.0919 39.2545 175.5856 110 Q 3.5020 7.9825 118.2988 56.8103 26.1613 174.0293 111 V 4.1281 7.7431 109.1527 59.9508 33.1582 176.3699 112 D 4.2382 7.0813 123.0373 53.4650 41.5425 175.2684 113 P 3.0912 0.0000 0.0000 63.9678 31.3208 178.0349 114 Q 3.7572 7.6043 117.2327 58.7074 28.8217 177.2766 115 Y 4.3521 6.9386 115.5226 58.9872 38.0388 177.2666 116 F 4.4855 7.1699 119.5316 60.7130 39.1193 177.5829 117 K 4.1199 8.0646 117.4585 59.4211 32.3293 179.3738 118 V 3.6344 7.6401 119.4375 66.0237 31.6884 177.6275 119 L 3.7755 8.1241 120.0724 57.8552 41.8157 178.6444 120 A 4.0281 8.1835 120.6309 55.0045 18.1528 179.4953 121 A 4.0281 7.9672 119.4820 55.3000 18.4654 180.0817 122 V 3.6454 7.6271 115.4973 66.1684 31.5562 178.2978 123 I 3.8672 7.9937 119.4378 64.4379 36.9548 178.3407 124 A 4.4524 8.3627 121.6282 55.4086 18.0979 179.2498 125 D 4.3421 8.4606 115.7885 57.3576 41.2816 178.2055 126 T 4.1895 7.8021 115.6351 66.2266 68.9053 176.9352 127 V 3.7499 7.9744 118.9556 65.1908 33.1496 176.6755 128 A 4.4141 8.0045 118.3748 50.3999 20.5819 175.4681 129 A 4.1499 7.8522 123.5908 53.9432 19.1476 176.9294 130 G 4.1241 9.0787 111.0341 46.0035 0.0000 174.1342 131 D 4.4212 8.2783 119.6024 54.2637 42.3819 176.8871 132 A 4.2617 8.7757 128.9371 54.8618 18.5616 179.6477 133 G 3.5984 8.1026 104.1072 48.0456 0.0000 175.5844 134 F 4.1403 8.6016 122.9554 60.8164 39.3064 177.1801 135 E 4.0360 7.9511 117.4903 58.8379 29.0741 179.4520 136 K 3.9682 7.8069 118.6670 59.2421 32.1042 178.7111 137 L 3.7271 7.2922 120.6491 58.7546 41.8541 179.0502 138 M 3.7882 7.4981 118.0583 58.3440 31.7382 179.1141 139 S 4.5278 7.6963 116.7582 61.1536 62.9448 176.4917 140 M 3.9629 8.2065 121.7266 58.4262 31.6385 178.7708 141 I 3.5411 7.7115 119.9535 64.6196 36.7504 178.3444 142 C 4.0081 8.1084 117.4389 62.8384 27.7407 176.1546 143 I 3.8831 7.8615 120.6157 64.5290 36.9846 178.2231 144 L 4.1253 8.0979 119.8828 57.5357 41.2796 179.2039 145 L 3.9710 7.9088 117.6560 56.4543 41.7393 178.4418 146 R 4.7881 7.5853 116.6575 56.1850 30.5302 178.0901 147 S 4.1520 7.8170 113.5477 61.0726 62.9995 175.6618 148 A 4.1462 7.8829 122.3501 54.1915 18.7706 176.6203 149 Y 4.1836 8.0390 117.9665 58.4067 37.9141 175.4210 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 P 0.00 4.65 0.00 2.20 2.18 0.00 3.33 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 2 I 8.15 4.01 1.88 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 1.40 0.71 0.89 0.00 0.00 3 V 8.26 4.53 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 0.87 0.00 0.00 0.90 0.00 0.00 4 D 8.45 5.07 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.45 4.70 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 1.20 0.00 0.00 6 G 8.75 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 0.00 0.00 0.00 7 S 8.37 4.64 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.45 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 0.75 0.00 0.00 0.88 0.00 0.00 9 A 8.39 4.17 1.22 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 0.00 0.00 10 P 0.00 4.39 0.00 2.03 1.98 0.00 3.66 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 2.01 2.09 0.00 11 L 8.20 4.31 0.00 1.60 1.57 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.49 4.53 0.00 3.99 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 A 8.68 3.94 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 14 A 7.92 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 15 E 8.08 3.94 0.00 2.18 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 2.35 2.36 0.00 16 K 8.32 3.89 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 T 7.81 3.89 4.43 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 1.23 0.00 0.00 18 K 7.99 4.02 0.00 2.05 1.90 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.77 7.81 19 I 8.02 3.84 2.12 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 1.77 1.01 1.06 0.00 0.00 20 R 8.30 4.10 0.00 2.03 2.08 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 21 S 7.88 4.13 0.00 4.07 3.95 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 22 A 8.04 4.12 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 23 W 9.10 4.35 0.00 3.53 3.31 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 24 A 8.18 3.96 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 25 P 0.00 4.14 0.00 1.98 2.09 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 26 V 7.60 3.54 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 0.63 0.00 0.00 0.82 0.00 0.00 27 Y 7.08 3.99 0.00 2.15 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 28 S 7.83 4.22 0.00 4.03 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 29 T 7.69 4.52 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 1.11 0.00 0.00 30 Y 7.70 4.17 0.00 3.21 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 31 E 7.28 3.77 0.00 1.79 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 1.72 2.00 0.00 32 T 7.64 3.98 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 1.21 0.00 0.00 33 S 8.02 4.21 0.00 3.89 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 34 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 35 V 7.42 3.63 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 1.06 0.00 0.00 0.98 0.00 0.00 36 D 8.17 4.36 0.00 2.90 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 37 I 7.83 3.75 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 1.03 0.00 0.00 38 L 8.08 4.11 0.00 1.93 1.84 1.05 0.83 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 39 V 8.28 3.57 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 0.93 0.00 0.00 0.92 0.00 0.00 40 K 8.62 3.94 0.00 2.06 2.05 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 41 F 8.51 4.21 0.00 3.25 3.39 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 0.00 0.00 0.00 0.00 42 F 8.28 3.63 0.00 2.97 2.99 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 43 T 8.02 3.97 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 1.36 0.00 0.00 44 S 7.64 4.61 0.00 4.05 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 45 T 6.97 4.48 3.56 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 1.24 0.00 0.00 46 P 0.00 4.26 0.00 2.06 1.99 0.00 3.81 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 2.03 1.88 0.00 47 A 8.03 4.20 1.45 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 48 A 7.44 4.32 0.36 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 49 Q 8.24 4.06 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 50 E 8.10 4.17 0.00 1.85 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 2.18 1.70 0.00 51 F 8.23 4.35 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 52 F 8.07 4.51 0.00 3.15 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 0.00 0.00 0.00 53 P 0.00 4.30 0.00 2.16 2.12 0.00 3.50 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 54 K 7.88 4.25 0.00 1.74 2.00 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.43 7.81 55 F 8.12 4.96 0.00 3.10 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 4.22 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.58 7.81 57 G 9.18 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 58 L 7.82 4.30 0.00 1.73 1.52 0.85 0.78 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 59 T 8.54 4.53 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 1.26 0.00 0.00 60 T 7.60 4.13 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 61 A 8.42 4.17 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 62 D 7.78 4.31 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 4.08 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 L 7.40 3.66 0.00 1.47 1.41 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.37 3.98 0.00 1.77 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.73 7.81 66 K 7.84 4.35 0.00 1.81 1.81 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.54 7.81 67 S 7.63 4.32 0.00 3.77 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 68 A 8.57 4.14 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 D 7.99 4.59 0.00 2.90 3.07 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 70 V 7.67 3.61 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 0.82 0.00 0.00 -0.24 0.00 0.00 71 R 7.93 3.97 0.00 2.18 2.31 0.00 3.21 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 72 W 8.46 4.79 0.00 3.48 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 73 H 8.48 3.97 0.00 3.67 3.71 0.00 5.66 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 74 A 8.55 4.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.23 0.00 2.50 2.34 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 2.69 2.61 0.00 76 R 7.86 3.74 0.00 1.68 1.71 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.62 0.00 77 I 7.55 3.67 2.08 0.00 0.00 1.00 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 1.56 0.97 0.00 0.00 78 I 7.90 3.97 2.28 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.32 1.17 0.00 0.00 79 N 8.17 4.51 0.00 2.86 2.83 0.00 0.00 6.84 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 80 A 7.90 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 81 V 7.71 3.32 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 0.45 0.00 0.00 0.90 0.00 0.00 82 N 8.11 4.07 0.00 2.99 2.77 0.00 0.00 7.27 8.51 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 83 D 7.92 4.23 0.00 2.81 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 84 A 7.57 3.96 1.17 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 0.00 0.00 85 V 7.53 3.30 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 0.84 0.00 0.00 -0.04 0.00 0.00 86 A 7.72 4.07 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 87 S 8.09 4.56 0.00 3.84 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 88 M 7.46 4.14 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 89 D 7.94 4.57 0.00 2.64 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 90 D 8.04 4.82 0.00 2.59 2.47 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 91 T 7.99 3.85 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 1.18 0.00 0.00 92 E 8.16 3.90 0.00 2.26 1.96 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 2.38 2.29 0.00 93 K 7.94 3.90 0.00 1.89 1.89 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 94 M 7.91 3.93 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 95 S 7.93 4.02 0.00 4.10 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 96 M 7.76 3.91 0.00 1.98 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 97 K 7.83 3.88 0.00 1.89 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.59 7.81 98 L 7.76 3.94 0.00 1.72 1.61 0.80 0.82 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 99 R 8.60 3.91 0.00 1.76 1.95 0.00 3.09 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 100 D 7.99 4.26 0.00 2.79 2.85 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 0.00 101 L 7.87 4.00 0.00 1.94 1.79 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.67 4.17 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 0.00 103 G 7.84 3.55 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 0.00 0.00 0.00 104 K 7.73 3.52 0.00 1.87 1.19 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.28 1.57 7.81 105 H 8.17 4.35 0.00 3.72 3.88 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 0.00 106 A 7.55 3.60 0.18 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 0.00 0.00 107 K 7.93 4.07 0.00 1.54 1.75 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.41 7.81 108 S 7.33 4.43 0.00 3.05 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 0.00 109 F 7.40 4.65 0.00 3.19 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 0.00 110 Q 7.98 3.50 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 111 V 7.74 4.13 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 0.81 0.00 0.00 1.12 0.00 0.00 112 D 7.08 4.24 0.00 2.39 2.36 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 0.00 113 P 0.00 3.09 0.00 1.63 0.49 0.00 3.46 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 114 Q 7.60 3.76 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 115 Y 6.94 4.35 0.00 3.02 3.28 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 0.00 116 F 7.17 4.49 0.00 3.13 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 0.00 117 K 8.06 4.12 0.00 1.99 2.07 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.48 7.81 118 V 7.64 3.63 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 1.39 0.00 0.00 1.09 0.00 0.00 119 L 8.12 3.78 0.00 0.44 1.43 0.72 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.18 4.03 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.97 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.65 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 1.15 0.00 0.00 1.18 0.00 0.00 123 I 7.99 3.87 2.17 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 1.60 0.76 1.25 0.00 0.00 124 A 8.36 4.45 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 0.00 125 D 8.46 4.34 0.00 2.82 2.92 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 0.00 126 T 7.80 4.19 4.48 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 1.24 0.00 0.00 127 V 7.97 3.75 1.81 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 0.75 0.00 0.00 1.31 0.00 0.00 128 A 8.00 4.41 0.95 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 0.00 0.00 129 A 7.85 4.15 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 0.00 130 G 9.08 4.12 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 0.00 131 D 8.28 4.42 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 132 A 8.78 4.26 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 0.00 133 G 8.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.14 0.00 3.31 3.11 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 0.00 135 E 7.95 4.04 0.00 2.24 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 0.00 2.39 2.61 0.00 136 K 7.81 3.97 0.00 2.00 1.79 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.54 7.81 137 L 7.29 3.73 0.00 1.34 1.19 0.54 0.71 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 0.00 138 M 7.50 3.79 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.19 0.00 139 S 7.70 4.53 0.00 4.01 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 0.00 140 M 8.21 3.96 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 141 I 7.71 3.54 1.83 0.00 0.00 0.60 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 0.65 0.73 0.00 0.00 142 C 8.11 4.01 0.00 3.22 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 0.00 143 I 7.86 3.88 1.96 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 1.47 0.60 0.93 0.00 0.00 144 L 8.10 4.13 0.00 1.78 1.63 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.91 3.97 0.00 1.09 0.46 0.29 0.87 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 0.00 146 R 7.59 4.79 0.00 2.05 2.00 0.00 3.22 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 147 S 7.82 4.15 0.00 4.00 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 0.00 148 A 7.88 4.15 1.21 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 0.00 149 Y 8.04 4.18 0.00 3.16 2.92 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